|
Ba2 Cu2 La2 O11 Ti2 |
| |
Gomez-Romero P, Palacin M, Rodriguez-Carvajal J |
| |
Chemistry of Materials 6 (1994) 2118-2122 |
|
Crystal structure refinement of the layered copper-titanium perovskites |
|
Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data |
|
_cod_database_code 1006074 |
|
_database_code_amcsd 0012202 |
|
3.9367 3.9367 15.805 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 .5 .5 0 .64 |
|
Ba1 .5 .5 .5 .36 |
|
Ba2 .5 .5 .2329 .64 |
|
La2 .5 .5 .7329 .36 |
|
La3 .5 .5 .5 .64 |
|
Ba3 .5 .5 0 .36 |
|
Cu1 0 0 .113 .64 |
|
Cu2 0 0 .613 .36 |
|
Ti1 0 0 .387 .64 |
|
Ti2 0 0 .887 .36 |
|
O1 0 0 .5 .64 |
|
O2 0 0 0 .36 |
|
O3 .5 0 .3716 .6375 |
|
O4 .5 0 .8716 .3625 |
|
O5 0 0 .2688 .64 |
|
O6 0 0 .7688 .36 |
|
O7 .5 0 .1039 .6375 |
|
O8 .5 0 .6039 .3625 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba2 Cu2 Nd2 O11 Ti2 |
| |
Gomez-Romero P, Palacin M, Rodriguez-Carvajal J |
| |
Chemistry of Materials 6 (1994) 2118-2122 |
|
Crystal structure refinement of the layered copper-titanium perovskites |
|
Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data |
|
_cod_database_code 1006075 |
|
_database_code_amcsd 0012203 |
|
3.91275 3.91275 15.7614 90 90 90 P4/mmm |
|
atom x y z |
|
Nd1 .5 .5 0 |
|
Ba1 .5 .5 .2357 |
|
Nd2 .5 .5 .5 |
|
Cu1 0 0 .1084 |
|
Ti1 0 0 .3701 |
|
O1 0 0 .5 |
|
O2 .5 0 .3841 |
|
O3 0 0 .2554 |
|
O4 .5 0 .0974 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Nd2 Ni O4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R |
| |
Europhysics Letters 11 (1990) 261-268 |
|
Structural phase transitions and three-dimensional magnetic ordering in |
|
the Nd2NiO4 oxide |
|
_cod_database_code 1006025 |
|
_database_code_amcsd 0012639 |
|
5.3876 5.5883 12.135 90 90 90 Bmab |
|
atom x y z |
|
Ni1 0 0 0 |
|
Nd1 0 -.015 .3632 |
|
O1 .25 .25 -.0179 |
|
O2 0 .063 .1794 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Nd2 Ni O4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R |
| |
Europhysics Letters 11 (1990) 261-268 |
|
Structural phase transitions and three-dimensional magnetic ordering in |
|
the Nd2NiO4 oxide |
|
_cod_database_code 1006026 |
|
_database_code_amcsd 0012640 |
|
5.37325 5.5913 12.0976 90 90 90 Bmab |
|
atom x y z |
|
Ni1 0 0 0 |
|
Nd1 0 -.0173 .3630 |
|
O1 .25 .25 -.0177 |
|
O2 0 .0652 .1806 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Nd2 Ni O4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J, Fernandez F, Saez-Puche R |
| |
Europhysics Letters 11 (1990) 261-268 |
|
Structural phase transitions and three-dimensional magnetic ordering in |
|
the Nd2NiO4 oxide |
|
_cod_database_code 1006027 |
|
_database_code_amcsd 0012641 |
|
5.480 5.480 12.057 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z |
|
Ni1 0 0 0 |
|
Nd1 -.0121 -.0121 .3641 |
|
O1 .25 .25 -.0298 |
|
O2 .0508 .0508 .1785 |
|
O3 .75 .25 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mn O3 Sm0.75 Sr0.25 |
| |
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J |
| |
Solid State Physics 40 (1998) 1271-1276 |
|
Atomic structure and transport and magnetic properties of the |
|
Sm1-xSrxMnO3 system |
|
_cod_database_code 1006169 |
|
_database_code_amcsd 0012646 |
|
5.479 7.686 5.453 90 90 90.3 P2_1/a |
|
atom x y z occ |
|
Mn1 .5 0 0 |
|
Mn2 0 .5 .5 |
|
Sm1 .035 .242 -.014 .75 |
|
Sr1 .035 .242 -.014 .25 |
|
O1 .483 .262 .055 |
|
O2 .289 .044 .742 |
|
O3 .686 .539 .296 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mn O3 Sm0.75 Sr0.25 |
| |
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J |
| |
Solid State Physics 40 (1998) 1271-1276 |
|
Atomic structure and transport and magnetic properties of the |
|
Sm1-xSrxMnO3 system |
|
_cod_database_code 1006170 |
|
_database_code_amcsd 0012647 |
|
5.5062 7.672 5.435 90 90 90.49 P2_1/a |
|
atom x y z occ |
|
Mn1 .5 0 0 |
|
Mn2 0 .5 .5 |
|
Sm1 .042 .237 -.024 .75 |
|
Sr1 .042 .237 -.024 .25 |
|
O1 .491 .242 .057 |
|
O2 .297 .034 .71 |
|
O3 .713 .541 .307 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mn O3 Sm0.75 Sr0.25 |
| |
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J |
| |
Solid State Physics 40 (1998) 1271-1276 |
|
Atomic structure and transport and magnetic properties of the |
|
Sm1-xSrxMnO3 system |
|
_cod_database_code 1006171 |
|
_database_code_amcsd 0012648 |
|
5.498 7.672 5.435 90 90 90.47 P2_1/a |
|
atom x y z occ |
|
Mn1 .5 0 0 |
|
Mn2 0 .5 .5 |
|
Sm1 .043 .237 -.022 .75 |
|
Sr1 .043 .237 -.022 .25 |
|
O1 .492 .247 .049 |
|
O2 .302 .035 .703 |
|
O3 .718 .545 .306 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mn O3 Sm0.75 Sr0.25 |
| |
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J |
| |
Solid State Physics 40 (1998) 1271-1276 |
|
Atomic structure and transport and magnetic properties of the |
|
Sm1-xSrxMnO3 system |
|
_cod_database_code 1006172 |
|
_database_code_amcsd 0012649 |
|
5.494 7.675 5.436 90 90 90.5 P2_1/a |
|
atom x y z occ |
|
Mn1 .5 0 0 |
|
Mn2 0 .5 .5 |
|
Sm1 .044 .238 -.018 .75 |
|
Sr1 .044 .238 -.018 .25 |
|
O1 .492 .248 .043 |
|
O2 .313 .034 .694 |
|
O3 .725 .548 .306 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co D6.12 La Ni4 |
| |
Latroche M, Rodriguez-Carvajal J, Percheron-Guegan A, Bouree-Vigneron F |
| |
Journal of Alloys and Compounds 218 (1995) 64-72 |
|
Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 |
|
by means of neutron powder diffraction |
|
_cod_database_code 1006077 |
|
_database_code_amcsd 0012765 |
|
5.390 5.390 8.503 90 90 120 P6_3mc |
|
atom x y z occ |
|
La1 0 0 .0094 |
|
Ni1 1/3 2/3 -.0055 .875 |
|
Co1 1/3 2/3 -.0055 .125 |
|
Ni2 1/3 2/3 .4965 .875 |
|
Co2 1/3 2/3 .4965 .125 |
|
Ni3 .4990 .5010 .25 .75 |
|
Co3 .4990 .5010 .25 .25 |
|
D1 1/3 2/3 .8076 .32 |
|
D2 1/3 2/3 .3076 .31 |
|
D3 .1465 .293 .25 .46 |
|
D4 .1465 .293 .75 .1633 |
|
D5 .1779 .3558 .3165 .16 |
|
D6 .1779 .3558 .8165 .17 |
|
D7 .4683 0 .0540 .4383 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Al0.3 Co0.749 D5.56 La Mn0.4 Ni3.548 |
| |
Latroche M, Rodriguez-Carvajal J, Percheron-Guegan A, Bouree-Vigneron F |
| |
Journal of Alloys and Compounds 218 (1995) 64-72 |
|
Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 |
|
by means of neutron powder diffraction |
|
_cod_database_code 1006078 |
|
_database_code_amcsd 0012766 |
|
5.383 5.383 4.277 90 90 120 P6/mmm |
|
atom x y z occ |
|
La1 0 0 0 |
|
Ni1 1/3 2/3 0 .868 |
|
Mn1 1/3 2/3 0 .0365 |
|
Co1 1/3 2/3 0 .094 |
|
Ni2 .5 0 .5 .604 |
|
Mn2 .5 0 .5 .109 |
|
Al1 .5 0 .5 .100 |
|
Co2 .5 0 .5 .187 |
|
D1 1/3 2/3 .3759 .0567 |
|
D2 .1362 .2724 .5 .3263 |
|
D3 .2234 .4468 .3169 .0593 |
|
D4 .4642 0 .1004 .2216 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ge6 Mn6 Tm |
| |
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 113-120 |
|
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6 |
|
_cod_database_code 1006092 |
|
_database_code_amcsd 0012768 |
|
5.2067 5.2067 8.1431 90 90 120 P6/mmm |
|
atom x y z |
|
Tm1 0 0 0 |
|
Mn1 .5 0 .249 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .346 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ge6 Mn6 Tm |
| |
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 113-120 |
|
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6 |
|
_cod_database_code 1006093 |
|
_database_code_amcsd 0012769 |
|
5.2110 5.2110 8.1397 90 90 120 P6/mmm |
|
atom x y z |
|
Tm1 0 0 0 |
|
Mn1 .5 0 .249 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3487 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ge6 Lu Mn6 |
| |
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 152-154 |
|
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
|
_cod_database_code 1006094 |
|
_database_code_amcsd 0012770 |
|
5.1993 5.1993 8.1165 90 90 120 P6/mmm |
|
atom x y z |
|
Lu1 0 0 0 |
|
Mn1 .5 0 .2486 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3404 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ge6 Lu Mn6 |
| |
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 152-154 |
|
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
|
_cod_database_code 1006095 |
|
_database_code_amcsd 0012771 |
|
5.2002 5.2002 8.1169 90 90 120 P6/mmm |
|
atom x y z |
|
Lu1 0 0 0 |
|
Mn1 .5 0 .2489 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3423 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ge6 Lu Mn6 |
| |
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K |
| |
Journal of Alloys and Compounds 226 (1995) 152-154 |
|
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6 |
|
_cod_database_code 1006096 |
|
_database_code_amcsd 0012772 |
|
5.2076 5.2076 8.1285 90 90 120 P6/mmm |
|
atom x y z |
|
Lu1 0 0 0 |
|
Mn1 .5 0 .248 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .344 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Ge5.992 Tb |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 255 (1997) 67-73 |
|
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A |
|
neutron study |
|
_cod_database_code 1006118 |
|
_database_code_amcsd 0012783 |
|
5.1709 5.1709 8.2817 90 90 120 P6/mmm |
|
atom x y z occ |
|
Tb1 0 0 0 .816 |
|
Tb2 0 0 .5 .184 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3479 .888 |
|
Ge4 0 0 .8479 .108 |
|
Cr1 .5 0 .2489 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Ge5.992 Tb0.951 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 255 (1997) 67-73 |
|
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A |
|
neutron study |
|
_cod_database_code 1006119 |
|
_database_code_amcsd 0012784 |
|
5.1607 5.1607 8.2822 90 90 120 P6/mmm |
|
atom x y z occ |
|
Tb1 0 0 0 .816 |
|
Tb2 0 0 .5 .135 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3458 .888 |
|
Ge4 0 0 .8458 .108 |
|
Cr1 .5 0 .2533 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Ge5.992 Tb0.951 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 255 (1997) 67-73 |
|
Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A |
|
neutron study |
|
_cod_database_code 1006120 |
|
_database_code_amcsd 0012785 |
|
5.1618 5.1618 8.2854 90 90 120 P6/mmm |
|
atom x y z occ |
|
Tb1 0 0 0 .816 |
|
Tb2 0 0 .5 .135 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3479 .888 |
|
Ge4 0 0 .8479 .108 |
|
Cr1 .5 0 .2534 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Dy Ge6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 256 (1997) 92-96 |
|
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds |
|
(R = Dy,Ho,Er,Y): a neutron study |
|
_cod_database_code 1006121 |
|
_database_code_amcsd 0012788 |
|
5.1586 5.1586 8.2771 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 .916 |
|
Dy2 0 0 .5 .084 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3596 .924 |
|
Ge4 0 0 .8596 .076 |
|
Cr1 .5 0 .2518 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Dy Ge6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 256 (1997) 92-96 |
|
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds |
|
(R = Dy,Ho,Er,Y): a neutron study |
|
_cod_database_code 1006122 |
|
_database_code_amcsd 0012789 |
|
5.1588 5.1588 8.2773 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 .916 |
|
Dy2 0 0 .5 .084 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3596 .924 |
|
Ge4 0 0 .8596 .076 |
|
Cr1 .5 0 .2517 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Er Ge6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 256 (1997) 92-96 |
|
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds |
|
(R = Dy,Ho,Er,Y): a neutron study |
|
_cod_database_code 1006123 |
|
_database_code_amcsd 0012790 |
|
5.1495 5.1495 8.2639 90 90 120 P6/mmm |
|
atom x y z occ |
|
Er1 0 0 0 .958 |
|
Er2 0 0 .5 .042 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3469 .960 |
|
Ge4 0 0 .8469 .040 |
|
Cr1 .5 0 .2491 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Er Ge6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 256 (1997) 92-96 |
|
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds |
|
(R = Dy,Ho,Er,Y): a neutron study |
|
_cod_database_code 1006124 |
|
_database_code_amcsd 0012791 |
|
5.1474 5.1474 8.2617 90 90 120 P6/mmm |
|
atom x y z occ |
|
Er1 0 0 0 .958 |
|
Er2 0 0 .5 .042 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3470 .960 |
|
Ge4 0 0 .8470 .040 |
|
Cr1 .5 0 .2492 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr6 Ge6 Ho |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 256 (1997) 92-96 |
|
Ferrimagnetism and disorder in the R Cr6 Ge6 compounds |
|
(R = Dy,Ho,Er,Y): a neutron study |
|
_cod_database_code 1006125 |
|
_database_code_amcsd 0012792 |
|
5.149 5.149 8.262 90 90 120 P6/mmm |
|
atom x y z |
|
Ho1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .346 |
|
Cr1 .5 0 .259 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Er Fe6 Ge6 |
| |
Oleksyn O, Schobinger-Papamantellos P, Rodriguez-Carvajal J, Brueck E, Buschow K |
| |
Journal of Alloys and Compounds 257 (1997) 36-45 |
|
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, |
|
neutron diffraction and magnetic measurements |
|
_cod_database_code 1006126 |
|
_database_code_amcsd 0012793 |
|
8.0991 26.5293 5.10721 90 90 90 Immm |
|
atom x y z occ |
|
Er1 0 0 0 .640 |
|
Er2 0 .1677 .5 .600 |
|
Er3 .5 0 0 .360 |
|
Er4 .5 .1677 .5 .400 |
|
Ge1 .3592 0 0 .776 |
|
Ge2 .3592 .1677 .5 .732 |
|
Ge3 .815 0 0 .184 |
|
Ge4 .815 .1677 .5 .268 |
|
Ge5 0 .0570 .5 |
|
Ge6 .5 .0570 .5 |
|
Ge7 0 .114 0 |
|
Ge8 .5 .114 0 |
|
Ge9 0 .228 0 |
|
Ge10 .5 .228 0 |
|
Fe1 .2557 0 .5 |
|
Fe2 .25 .25 .25 |
|
Fe3 .2557 .3320 .5 |
|
Fe4 .2557 .0830 .251 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Er Fe6 Ge6 |
| |
Oleksyn O, Schobinger-Papamantellos P, Rodriguez-Carvajal J, Brueck E, Buschow K |
| |
Journal of Alloys and Compounds 257 (1997) 36-45 |
|
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, |
|
neutron diffraction and magnetic measurements |
|
_cod_database_code 1006127 |
|
_database_code_amcsd 0012794 |
|
8.1008 26.53181 5.10768 90 90 90 Immm |
|
atom x y z occ |
|
Er1 0 0 0 |
|
Er2 0 .1670 .5 .800 |
|
Er3 .5 .1679 .5 .200 |
|
Ge1 .331 0 0 .564 |
|
Ge2 .350 .166 .5 .700 |
|
Ge3 .858 0 0 .436 |
|
Ge4 .845 .1670 .5 .300 |
|
Ge5 0 .0545 .5 |
|
Ge6 .5 .0555 .5 |
|
Ge7 0 .1136 0 |
|
Ge8 .5 .1112 0 |
|
Ge9 0 .2194 0 |
|
Ge10 .5 .2229 0 |
|
Fe1 .2524 0 .5 |
|
Fe2 .25 .25 .25 |
|
Fe3 .25 .3334 .5 |
|
Fe4 .2516 .0820 .243 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
La0.875 Mn O3 Sr0.125 |
| |
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A |
| |
Journal of Alloys and Compounds 262 (1997) 152-156 |
|
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping |
|
_cod_database_code 1006128 |
|
_database_code_amcsd 0012798 |
|
5.5351 5.5187 7.7903 90 90 90 Pbnm |
|
atom x y z occ |
|
La1 .0005 .0217 .25 .875 |
|
Sr1 .0005 .0217 .25 .125 |
|
O1 .0659 .4900 .25 |
|
O2 .7251 .2779 .0360 |
|
Mn1 .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
La0.875 Mn O3 Sr0.125 |
| |
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A |
| |
Journal of Alloys and Compounds 262 (1997) 152-156 |
|
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping |
|
_cod_database_code 1006129 |
|
_database_code_amcsd 0012799 |
|
5.5489 5.5598 7.7375 90 90 90 Pbnm |
|
atom x y z occ |
|
La1 -.0023 .0249 .25 .875 |
|
Sr1 -.0023 .0249 .25 .125 |
|
O1 .0678 .4910 .25 |
|
O2 .7358 .2865 .0358 |
|
Mn1 .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
La0.875 Mn O3 Sr0.125 |
| |
Pinsard L, Rodriguez-Carvajal J, Revcolevschi A |
| |
Journal of Alloys and Compounds 262 (1997) 152-156 |
|
Structural phase diagram of La1-x Srx Mn O3 for low Sr doping |
|
_cod_database_code 1006130 |
|
_database_code_amcsd 0012800 |
|
5.5448 5.5258 7.7927 90 90 90 Pbnm |
|
atom x y z occ |
|
La1 -.0031 .0191 .25 .875 |
|
Sr1 -.0031 .0191 .25 .125 |
|
O1 .0664 .4923 .25 |
|
O2 .7308 .2785 .0353 |
|
Mn1 .5 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr Dy Ge6 Mn5 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006144 |
|
_database_code_amcsd 0012801 |
|
5.2187 5.2187 8.1865 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3469 |
|
Mn1 .5 0 .2520 .8333 |
|
Cr1 .5 0 .2520 .1667 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr1.5 Dy Ge6 Mn4.5 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006145 |
|
_database_code_amcsd 0012802 |
|
5.2155 5.2155 8.2018 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3472 |
|
Mn1 .5 0 .255 .75 |
|
Cr1 .5 0 .255 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr2 Dy Ge6 Mn4 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006146 |
|
_database_code_amcsd 0012803 |
|
5.2101 5.2101 8.2102 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3479 |
|
Mn1 .5 0 .253 .667 |
|
Cr1 .5 0 .253 .333 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr4 Dy Ge6 Mn2 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006147 |
|
_database_code_amcsd 0012804 |
|
5.185 5.185 8.252 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .348 |
|
Mn1 .5 0 .251 .333 |
|
Cr1 .5 0 .251 .667 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cr5 Dy Ge5.9 Mn |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006148 |
|
_database_code_amcsd 0012805 |
|
5.169 5.169 8.263 90 90 120 P6/mmm |
|
atom x y z occ |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .329 .95 |
|
Mn1 .5 0 .253 .1667 |
|
Cr1 .5 0 .253 .8333 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Dy Ge6 Mn6 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K |
| |
Journal of Alloys and Compounds 265 (1998) 56-60 |
|
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6 |
|
compounds |
|
_cod_database_code 1006149 |
|
_database_code_amcsd 0012806 |
|
5.2256 5.2256 8.1646 90 90 120 P6/mmm |
|
atom x y z |
|
Dy1 0 0 0 |
|
Ge1 1/3 2/3 .5 |
|
Ge2 1/3 2/3 0 |
|
Ge3 0 0 .3454 |
|
Mn1 .5 0 .2501 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co3 Ge2.884 Tb0.624 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006157 |
|
_database_code_amcsd 0012810 |
|
5.0971 5.0971 3.9309 90 90 120 P6/mmm |
|
atom x y z occ |
|
Tb1 0 0 0 .36 |
|
Ge1 0 0 0 .14 |
|
Tb2 0 0 .3165 .132 |
|
Ge2 0 0 .3165 .372 |
|
Co1 .5 0 .5 |
|
Ge3 1/3 2/3 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co2 Ge2 Tb |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006158 |
|
_database_code_amcsd 0012811 |
|
3.9819 3.9819 10.086 90 90 90 I4/mmm |
|
atom x y z |
|
Tb1 0 0 0 |
|
Ge1 0 0 .3728 |
|
Co1 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co3 Ge2.884 Tb0.624 |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006159 |
|
_database_code_amcsd 0012812 |
|
5.0976 5.0976 3.9286 90 90 120 P6/mmm |
|
atom x y z occ |
|
Tb1 0 0 0 .36 |
|
Ge1 0 0 0 .14 |
|
Tb2 0 0 .3155 .132 |
|
Ge2 0 0 .3155 .372 |
|
Co1 .5 0 .5 |
|
Ge3 1/3 2/3 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co2 Ge2 Tb |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006160 |
|
_database_code_amcsd 0012813 |
|
3.979 3.979 10.099 90 90 90 I4/mmm |
|
atom x y z |
|
Tb1 0 0 0 |
|
Ge1 0 0 .3725 |
|
Co1 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co2 Ge2 Tb |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006161 |
|
_database_code_amcsd 0012814 |
|
3.979 3.979 10.103 90 90 90 I4/mmm |
|
atom x y z |
|
Tb1 0 0 0 |
|
Ge1 0 0 .3725 |
|
Co1 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Co2 Ge2 Tb |
| |
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Alloys and Compounds 274 (1998) 83-89 |
|
Magnetic order in the Tb Co6 Ge6 and Tb Co2 Ge2 compounds: a neutron study |
|
_cod_database_code 1006162 |
|
_database_code_amcsd 0012815 |
|
3.979 3.979 10.105 90 90 90 I4/mmm |
|
atom x y z |
|
Tb1 0 0 0 |
|
Ge1 0 0 .3725 |
|
Co1 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Co O5 Yb2 |
| |
Hernandez-Velasco J, Saez-Puche R, Rodriguez-Carvajal J |
| |
Journal of Alloys and Compounds 275 (1998) 651-656 |
|
Yb2 Ba Co O5 magnetic and crystal structure determination from neutron |
|
scattering |
|
_cod_database_code 1006163 |
|
_database_code_amcsd 0012817 |
|
12.1745 5.6594 6.9993 90 90 90 Pnma |
|
atom x y z |
|
Yb1 .2912 .25 .1203 |
|
Yb2 .0740 .25 .3994 |
|
Co1 .6545 .25 .6934 |
|
Ba1 .9016 .25 .9256 |
|
O1 .4347 -.0037 .1669 |
|
O2 .2255 .4976 .3620 |
|
O3 .1042 .25 .0783 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Fe6 Ge6 Tb |
| |
Schobinger-Papamantellos P, Oleksyn O, Rodriguez-Carvajal J, Andre G, Brueck E, Buschow K |
| |
Journal of Magnetism and Magnetic Materials 182 (1998) 96-110 |
|
Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6 |
|
studied by X-ray, neutron diffraction and magnetic measurement (I). |
|
_cod_database_code 1006165 |
|
_database_code_amcsd 0013066 |
|
8.1293 17.73192 5.11877 90 90 90 Cmcm |
|
atom x y z occ |
|
Tb1 0 .122 .25 .89 |
|
Tb2 .5 .128 .25 .11 |
|
Ge1 0 .039 .75 |
|
Ge2 .5 .044 .75 |
|
Ge3 0 .208 .75 |
|
Ge4 .5 .2027 .75 |
|
Ge5 .3475 .1257 .25 .89 |
|
Ge6 .8475 .1243 .25 .11 |
|
Fe1 .25 .25 0 |
|
Fe2 .2509 0 0 |
|
Fe3 .2509 .1233 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Fe6 Ge6 Tb |
| |
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308 |
|
Influence of thermal history on crystal structure, microstructure and |
|
magnetic properties of Tb Fe6 Ge6 (II) |
|
_cod_database_code 1006166 |
|
_database_code_amcsd 0013067 |
|
8.13071 17.69899 5.12618 90 90 90 Cmcm |
|
atom x y z |
|
Tb1 0 .1257 .25 |
|
Ge1 0 .0430 .75 |
|
Ge2 .5 .0431 .75 |
|
Ge3 0 .2134 .75 |
|
Ge4 .5 .2064 .75 |
|
Ge5 .3477 .1248 .25 |
|
Fe1 .25 .25 0 |
|
Fe2 .2502 0 0 |
|
Fe3 .2502 .1254 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Fe6 Ge6 Tb |
| |
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308 |
|
Influence of thermal history on crystal structure, microstructure and |
|
magnetic properties of Tb Fe6 Ge6 (II) |
|
_cod_database_code 1006167 |
|
_database_code_amcsd 0013068 |
|
8.1293 17.73192 5.11877 90 90 90 Cmcm |
|
atom x y z occ |
|
Tb1 0 .122 .25 .89 |
|
Tb2 .5 .128 .25 .11 |
|
Ge1 0 .039 .75 |
|
Ge2 .5 .044 .75 |
|
Ge3 0 .208 .75 |
|
Ge4 .5 .2027 .75 |
|
Ge5 .3475 .1257 .25 .89 |
|
Ge6 .8475 .1243 .25 .11 |
|
Fe1 .25 .25 0 |
|
Fe2 .2509 0 0 |
|
Fe3 .2509 .1233 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Fe6 Ge6 Tb |
| |
Zaharko O, Schobinger-Papamantellos P, Ritter C, Rodriguez-Carvajal J, Buschow K |
| |
Journal of Magnetism and Magnetic Materials 187 (1998) 293-308 |
|
Influence of thermal history on crystal structure, microstructure and |
|
magnetic properties of Tb Fe6 Ge6 (II) |
|
_cod_database_code 1006168 |
|
_database_code_amcsd 0013069 |
|
8.1292 17.73227 5.11886 90 90 90 Cmcm |
|
atom x y z occ |
|
Tb1 0 .122 .25 .83 |
|
Tb2 .5 .128 .25 .17 |
|
Ge1 0 .0376 .75 |
|
Ge2 .5 .0433 .75 |
|
Ge3 0 .213 .75 |
|
Ge4 .5 .2045 .75 |
|
Ge5 .3477 .1252 .25 .83 |
|
Ge6 .8477 .1248 .25 .17 |
|
Fe1 .25 .25 0 |
|
Fe2 .2508 0 0 |
|
Fe3 .2508 .1240 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu La2 O6 Ti |
| |
Palacin M, Bassas J, Rodriguez-Carvajal J, Gomez-Romero P |
| |
Journal of Materials Chemistry 3 (1993) 1171-1177 |
|
Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide |
|
precursors and sol-gel methods, and study of the structure and Cu-Ti |
|
distribution by X-ray and neutron diffraction |
|
_cod_database_code 1006097 |
|
_database_code_amcsd 0013070 |
|
5.6262 7.8396 5.5702 90 90 90 Pnma |
|
atom x y z occ |
|
La1 .0387 .25 -.0097 |
|
Cu1 0 0 .5 .496 |
|
Ti1 0 0 .5 .504 |
|
O1 .483 .25 .0759 |
|
O2 .2891 .0400 .7116 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kusachiite |
 |
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 1.5 K |
|
_database_code_amcsd 0013255 |
|
8.4989 8.4989 5.7973 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0817 -.0817 .75 .224 .00072 .00072 .00191 .00009 .00016 .00016 |
|
Cu .25 .25 .0766 .305 .00077 .00077 .00349 0 0 0 |
|
O .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 30 K |
|
_database_code_amcsd 0013256 |
|
8.4988 8.4988 5.7976 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0817 -.0817 .75 .251 .00079 .00079 .00221 .00010 .00029 .00029 |
|
Cu .25 .25 .0764 .312 .00083 .00083 .00340 0 0 0 |
|
O .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003 .00014 .00012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 75 K |
|
_database_code_amcsd 0013257 |
|
8.4987 8.4987 5.7999 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0818 -.0818 .75 .316 .00101 .00101 .00270 .00010 .00011 .00011 |
|
Cu .25 .25 .0765 .348 .00084 .00084 .00414 0 0 0 |
|
O .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 290 K |
|
_database_code_amcsd 0013258 |
|
8.5039 8.5039 5.8202 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0814 -.0814 .75 .736 .00227 .00227 .00660 .00015 .00014 .00014 |
|
Cu .25 .25 .0770 .675 .00189 .00189 .00688 0 0 0 |
|
O .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039 .00025 .00039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
F4 H2 K Mn O |
| |
Palacio F, Andres M, Rodriguez-Carvajal J, Pannetier J |
| |
Journal of Physics: Condensed Matter 3 (1991) 2379-2390 |
|
Magnetic structures of the MnIII weak ferromagnets AMnF4.H2O (A=Rb and K) |
|
_cod_database_code 1006040 |
|
_database_code_amcsd 0013261 |
|
13.7546 6.1406 10.3343 90 104.230 90 C2/c |
|
atom x y z |
|
K1 .0797 .7218 .4396 |
|
Mn1 .25 .25 .5 |
|
Mn2 0 .2456 .25 |
|
F1 .1023 .2451 .4370 |
|
F2 .2484 -.0466 .4608 |
|
F3 .0665 .0425 .1821 |
|
F4 .0734 .4630 .1871 |
|
O1 .2615 .3331 .3016 |
|
H1 .1959 .4045 .2505 |
|
H2 .3095 .4029 .292 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
F4 H2 Mn O Rb |
| |
Palacio F, Andres M, Rodriguez-Carvajal J, Pannetier J |
| |
Journal of Physics: Condensed Matter 3 (1991) 2379-2390 |
|
Magnetic structures of the MnIII weak ferromagnets AMnF4.H2O (A=Rb and K) |
|
_cod_database_code 1006041 |
|
_database_code_amcsd 0013262 |
|
13.8323 6.4285 10.4837 90 103.980 90 C2/c |
|
atom x y z |
|
Rb1 .0790 .7452 .4388 |
|
Mn1 .25 .25 .5 |
|
Mn2 0 .2456 .25 |
|
F1 .1051 .2510 .4344 |
|
F2 .2494 -.0263 .4584 |
|
F3 .0707 .0441 .1874 |
|
F4 .0715 .4498 .1883 |
|
O1 .2647 .3311 .3086 |
|
H1 .2097 .3935 .2508 |
|
H2 .3199 .4131 .307 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
La2NiO4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J |
| |
Journal of Physics: Condensed Matter 3 (1991) 3215-3234 |
|
Neutron diffraction study on structural and magnetic properties of La2NiO4 |
|
_cod_database_code 1006042 |
|
_database_code_amcsd 0013263 |
|
5.4618 5.4967 12.561 90 90 90 Bmab |
|
atom x y z |
|
La1 0 -.012 .3657 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0160 |
|
O2 0 .053 .179 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
La2NiO4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J |
| |
Journal of Physics: Condensed Matter 3 (1991) 3215-3234 |
|
Neutron diffraction study on structural and magnetic properties of La2NiO4 |
|
_cod_database_code 1006043 |
|
_database_code_amcsd 0013264 |
|
5.4995 5.4995 12.5052 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z |
|
La1 -.0072 -.0072 .3639 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0155 |
|
O2 .25 .75 0 |
|
O3 .0314 .0314 .1771 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
La2NiO4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J |
| |
Journal of Physics: Condensed Matter 3 (1991) 3215-3234 |
|
Neutron diffraction study on structural and magnetic properties of La2NiO4 |
|
_cod_database_code 1006044 |
|
_database_code_amcsd 0013265 |
|
5.4419 5.5364 12.4896 90 90 90 Bmab |
|
atom x y z |
|
La1 0 -.0102 .3639 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0109 |
|
O2 0 .0417 .1771 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
La2NiO4 |
| |
Rodriguez-Carvajal J, Fernandez-Diaz M, Martinez J |
| |
Journal of Physics: Condensed Matter 3 (1991) 3215-3234 |
|
Neutron diffraction study on structural and magnetic properties of La2NiO4 |
|
_cod_database_code 1006045 |
|
_database_code_amcsd 0013266 |
|
5.4499 5.5275 12.5118 90 90 90 Bmab |
|
atom x y z |
|
La1 0 -.0099 .3634 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0095 |
|
O2 0 .0397 .1778 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
F3 H4 Mn N |
| |
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J |
| |
Journal of Physics: Condensed Matter 7 (1995) 563-575 |
|
A single-crystal neutron diffraction study of N H4 Mn F3 |
|
_cod_database_code 1006079 |
|
_database_code_amcsd 0013267 |
|
4.2364 4.2364 4.2364 90 90 90 Pm3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .00652 .00652 .00652 0 0 0 |
|
F1 .5 0 0 .00615 .02589 .02589 0 0 0 |
|
N1 .5 .5 .5 .01452 .01452 .01452 0 0 0 |
|
H1 .5 .68692 .63895 .1667 .03928 .04825 .04007 0 0 -.01849 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
F3 H4 Mn N |
| |
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J |
| |
Journal of Physics: Condensed Matter 7 (1995) 563-575 |
|
A single-crystal neutron diffraction study of N H4 Mn F3 |
|
_cod_database_code 1006080 |
|
_database_code_amcsd 0013268 |
|
4.2364 4.2364 4.2364 90 90 90 Pm3m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .00613 .00613 .00613 0 0 0 |
|
F1 .5 0 0 .0064 .02461 .02461 0 0 0 |
|
N1 .5 .5 .5 .01566 .01566 .01566 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
F3 H4 Mn N |
| |
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J |
| |
Journal of Physics: Condensed Matter 7 (1995) 563-575 |
|
A single-crystal neutron diffraction study of N H4 Mn F3 |
|
_cod_database_code 1006081 |
|
_database_code_amcsd 0013269 |
|
5.952 8.543 5.949 90 90 90 Pnma |
|
atom x y z occ |
|
Mn1 0 0 0 |
|
N1 .5 .25 0 |
|
F1 .2718 .0069 .7692 |
|
F2 -.0152 .25 .0210 |
|
H1 -.0365 .25 .3405 .9625 |
|
H2 -.0075 .25 .6722 .050 |
|
H3 .1691 .25 .5138 1.012 |
|
H4 -.0878 .3355 .412 .050 |
|
H5 -.0644 .3551 .5771 .9625 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
F3 H4 Mn N |
| |
Rubin J, Palacios E, Bartolome J, Rodriguez-Carvajal J |
| |
Journal of Physics: Condensed Matter 7 (1995) 563-575 |
|
A single-crystal neutron diffraction study of N H4 Mn F3 |
|
_cod_database_code 1006082 |
|
_database_code_amcsd 0013270 |
|
5.952 8.543 5.949 90 90 90 Pnma |
|
atom x y z occ |
|
Mn1 0 0 0 |
|
N1 .5 .25 0 |
|
F1 .2720 .0084 .7675 |
|
F2 -.0114 .25 .0096 |
|
H1 -.0442 .25 .3348 1.040 |
|
H2 .1656 .25 .5284 1.037 |
|
H3 -.0651 .3555 .5770 .980 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Erythrosiderite |
|
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006098 |
|
_database_code_amcsd 0013271 |
|
13.5795 9.7024 7.0147 90 90 90 Pnma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .35468 .49882 .1465 .0400 .0378 .0412 .0001 .0063 0 |
|
Fe1 .11457 .25 .19024 .01915 .01802 .02097 0 -.0034 0 |
|
Cl1 .25019 .25 .3923 .0238 .0314 .0241 0 -.0062 0 |
|
Cl2 .2179 .25 -.0794 .0451 .0465 .02240 0 .0069 0 |
|
Cl3 .00597 .25 .4587 .0294 .0383 .0376 0 .0120 0 |
|
Cl4 .10493 .49374 .1809 .0409 .0176 .0448 -.0003 -.0139 0 |
|
O1 .0064 .25 .0089 .029 .021 .054 0 -.026 0 |
|
H1 -.0044 .3126 -.0372 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe K2 O |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006099 |
|
_database_code_amcsd 0013272 |
|
13.5862 9.7087 7.0177 90 90 90 Pnma |
|
atom x y z |
|
K1 .3502 .5125 .1357 |
|
Fe1 .1150 .25 .1917 |
|
Cl1 .2466 .25 .3870 |
|
Cl2 .2213 .25 -.0847 |
|
Cl3 .0042 .25 .4512 |
|
Cl4 .10605 .4907 .1785 |
|
O1 -.0063 .25 .0151 |
|
D1 -.0372 .3315 -.0450 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe K2 O |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006100 |
|
_database_code_amcsd 0013273 |
|
13.4653 9.6132 6.9836 90 90 90 Pnma |
|
atom x y z |
|
K1 .3546 .4947 .1430 |
|
Fe1 .1157 .25 .1953 |
|
Cl1 .2501 .25 .3919 |
|
Cl2 .2201 .25 -.0799 |
|
Cl3 .0060 .25 .4655 |
|
Cl4 .1046 .4957 .1862 |
|
O1 -.0101 .25 .0230 |
|
D1 -.0355 .3326 -.048 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe K2 O |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006101 |
|
_database_code_amcsd 0013274 |
|
13.4389 9.6025 6.9789 90 90 90 Pnma |
|
atom x y z |
|
K1 .3535 .4947 .1418 |
|
Fe1 .1158 .25 .1954 |
|
Cl1 .2512 .25 .3943 |
|
Cl2 .2197 .25 -.0800 |
|
Cl3 .0069 .25 .4678 |
|
Cl4 .1048 .4958 .1867 |
|
O1 -.0083 .25 .0237 |
|
D1 -.0363 .3325 -.0477 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe K2 O |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006102 |
|
_database_code_amcsd 0013275 |
|
13.4391 9.5981 6.9797 90 90 90 Pnma |
|
atom x y z |
|
K1 .3536 .4970 .1409 |
|
Fe1 .1154 .25 .1950 |
|
Cl1 .2516 .25 .3947 |
|
Cl2 .2197 .25 -.0802 |
|
Cl3 .0070 .25 .4678 |
|
Cl4 .1049 .4961 .1866 |
|
O1 -.0079 .25 .0239 |
|
D1 -.0364 .3324 .95233 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006103 |
|
_database_code_amcsd 0013276 |
|
13.8015 9.9049 7.0783 90 90 90 Pnma |
|
atom x y z |
|
Rb1 .3565 .5003 .1554 |
|
Fe1 .1155 .25 .1916 |
|
Cl1 .2452 .25 .3988 |
|
Cl2 .2203 .25 -.0697 |
|
Cl3 .0063 .25 .4527 |
|
Cl4 .1040 .4902 .1768 |
|
O1 -.0064 .25 .0034 |
|
D1 -.0345 .3298 -.0450 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006104 |
|
_database_code_amcsd 0013277 |
|
13.7101 9.8517 7.0255 90 90 90 Pnma |
|
atom x y z |
|
Rb1 .3569 .4989 .1606 |
|
Fe1 .1150 .25 .1936 |
|
Cl1 .2471 .25 .4018 |
|
Cl2 .2234 .25 -.0689 |
|
Cl3 .0053 .25 .4595 |
|
Cl4 .104 .4919 .1799 |
|
O1 -.0042 .25 .0110 |
|
D1 -.0343 .3300 -.0488 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006105 |
|
_database_code_amcsd 0013278 |
|
13.6798 9.8507 7.0069 90 90 90 Pnma |
|
atom x y z |
|
Rb1 .3567 .4987 .1594 |
|
Fe1 .1149 .25 .1931 |
|
Cl1 .2462 .25 .4027 |
|
Cl2 .2236 .25 -.0670 |
|
Cl3 .0066 .25 .4623 |
|
Cl4 .1032 .4907 .1797 |
|
O1 -.0020 .25 .0124 |
|
D1 -.0342 .3294 -.0483 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006106 |
|
_database_code_amcsd 0013279 |
|
13.6801 9.8471 7.0073 90 90 90 Pnma |
|
atom x y z |
|
Rb1 .3566 .4992 .1599 |
|
Fe1 .1147 .25 .1936 |
|
Cl1 .2464 .25 .4023 |
|
Cl2 .2238 .25 -.0665 |
|
Cl3 .0066 .25 .4622 |
|
Cl4 .1032 .4907 .1794 |
|
O1 -.0014 .25 .0122 |
|
D1 -.0341 .3297 -.0479 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu Dy2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006051 |
|
_database_code_amcsd 0013742 |
|
12.2061 5.6732 7.1355 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9049 .25 .9291 |
|
Dy1 .2891 .25 .1174 |
|
Dy2 .0744 .25 .3969 |
|
Cu1 .6599 .25 .7114 |
|
O1 .4327 -.0090 .1674 |
|
O2 .2283 .5042 .3558 |
|
O3 .1003 .25 .0820 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu Ho2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006052 |
|
_database_code_amcsd 0013743 |
|
12.1825 5.6630 7.1336 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9048 .25 .9304 |
|
Ho1 .2884 .25 .1162 |
|
Ho2 .0740 .25 .3957 |
|
Cu1 .6595 .25 .7130 |
|
O1 .4328 -.0073 .1660 |
|
O2 .2278 .5040 .3562 |
|
O3 .1004 .25 .0806 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu O5 Y2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006053 |
|
_database_code_amcsd 0013744 |
|
12.1792 5.6590 7.1325 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9049 .25 .9307 |
|
Y1 .2885 .25 .1157 |
|
Y2 .0738 .25 .3960 |
|
Cu1 .6589 .25 .7132 |
|
O1 .4326 -.0067 .1661 |
|
O2 .2278 .5045 .3565 |
|
O3 .0997 .25 .0802 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu Er2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006054 |
|
_database_code_amcsd 0013745 |
|
12.1423 5.6459 7.1072 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9057 .25 .9307 |
|
Er1 .2885 .25 .1171 |
|
Er2 .0743 .25 .3965 |
|
Cu1 .6599 .25 .7123 |
|
O1 .4333 -.0076 .1661 |
|
O2 .2283 .5024 .3571 |
|
O3 .1008 .25 .0832 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu O5 Tm2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006055 |
|
_database_code_amcsd 0013746 |
|
12.1011 5.6275 7.0793 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9045 .25 .9298 |
|
Tm1 .2885 .25 .1177 |
|
Tm2 .0738 .25 .3969 |
|
Cu1 .6597 .25 .7120 |
|
O1 .4333 -.0071 .1644 |
|
O2 .2276 .5014 .3579 |
|
O3 .1010 .25 .0830 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu O5 Yb2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006056 |
|
_database_code_amcsd 0013747 |
|
12.0652 5.6152 7.0569 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9048 .25 .9292 |
|
Yb1 .2884 .25 .1176 |
|
Yb2 .0738 .25 .3972 |
|
Cu1 .6594 .25 .7126 |
|
O1 .4329 -.0065 .1649 |
|
O2 .2279 .5025 .3594 |
|
O3 .1011 .25 .0847 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Cu Lu2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006057 |
|
_database_code_amcsd 0013748 |
|
12.0342 5.6003 7.0395 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9039 .25 .9306 |
|
Lu1 .2887 .25 .1183 |
|
Lu2 .0736 .25 .3967 |
|
Cu1 .6594 .25 .7130 |
|
O1 .4332 -.0056 .1638 |
|
O2 .2274 .5015 .3595 |
|
O3 .1011 .25 .0850 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Ca0.22 Er1.78 Ni O5 |
| |
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
|
_cod_database_code 1006068 |
|
_database_code_amcsd 0013803 |
|
3.7423 5.7416 11.2729 90 90 90 Immm |
|
atom x y z occ |
|
Ca1 .5 0 .2038 .112 |
|
Er1 .5 0 .2038 .888 |
|
Ba1 .5 .5 0 |
|
Ni1 0 0 0 |
|
O1 0 .2397 .1481 |
|
O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Ca0.36 Er1.64 Ni O5 |
| |
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
|
_cod_database_code 1006069 |
|
_database_code_amcsd 0013804 |
|
3.7342 5.7486 11.2625 90 90 90 Immm |
|
atom x y z occ |
|
Ca1 .5 0 .2041 .180 |
|
Er1 .5 0 .2041 .82 |
|
Ba1 .5 .5 0 |
|
Ni1 0 0 0 |
|
O1 0 .2394 .1472 |
|
O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Ca0.19 Er1.81 Ni O4.76 |
| |
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
|
_cod_database_code 1006070 |
|
_database_code_amcsd 0013805 |
|
3.7106 5.7461 11.3007 90 90 90 Immm |
|
atom x y z occ |
|
Ca1 .5 0 .2047 .095 |
|
Er1 .5 0 .2047 .905 |
|
Ba1 .5 .5 0 |
|
Ni1 0 0 0 |
|
O1 0 .2408 .1487 |
|
O2 .5 0 0 .76 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Ca0.34 Er1.66 Ni O4.58 |
| |
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
|
_cod_database_code 1006071 |
|
_database_code_amcsd 0013806 |
|
3.6876 5.7467 11.3012 90 90 90 Immm |
|
atom x y z occ |
|
Ca1 .5 0 .2049 .17 |
|
Er1 .5 0 .2049 .83 |
|
Ba1 .5 .5 0 |
|
Ni1 0 0 0 |
|
O1 0 .2405 .1476 .99 |
|
O2 .5 0 0 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Co4.1 Fe3.84 O19 Ti4.06 |
| |
Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M |
| |
Journal of Solid State Chemistry 111 (1994) 229-237 |
|
The solid solution BaFe12-2xCoxTixO19 (0 |
|
distribution by neutron diffraction |
|
_cod_database_code 1006065 |
|
_database_code_amcsd 0013810 |
|
5.9062 5.9062 23.342 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Fe1 0 0 0 .48 |
|
Ti1 0 0 0 .52 |
|
Fe2 1/3 2/3 .0250 .16 |
|
Co1 1/3 2/3 .0250 .84 |
|
Fe3 1/3 2/3 .189 .24 |
|
Co2 1/3 2/3 .189 .10 |
|
Ti2 1/3 2/3 .189 .66 |
|
Fe4 0 0 .2607 .23 |
|
Co3 0 0 .2607 .27 |
|
Fe5 1/6 .334 .8942 .35 |
|
Co4 1/6 .334 .8942 .28 |
|
Ti3 1/6 .334 .8942 .37 |
|
O1 0 0 .1512 |
|
O2 1/3 2/3 -.0581 |
|
O3 .1870 .3740 .25 |
|
O4 .1517 .3034 .0529 |
|
O5 .5 0 .1507 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Co6.01 O19 Ti5.99 |
| |
Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M |
| |
Journal of Solid State Chemistry 111 (1994) 229-237 |
|
The solid solution BaFe12-2xCoxTixO19 (0 |
|
distribution by neutron diffraction |
|
_cod_database_code 1006066 |
|
_database_code_amcsd 0013811 |
|
5.9174 5.9174 23.368 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Co1 0 0 0 .17 |
|
Ti1 0 0 0 .83 |
|
Co2 1/3 2/3 .0251 |
|
Co3 1/3 2/3 .1912 .17 |
|
Ti2 1/3 2/3 .1912 .83 |
|
Co4 0 0 .2540 .40 |
|
Ti3 0 0 .2540 .10 |
|
Co5 .173 .346 .8918 .450 |
|
Ti4 .173 .346 .8918 .550 |
|
O1 0 0 .1508 |
|
O2 1/3 2/3 -.0581 |
|
O3 .1873 .3746 .25 |
|
O4 .1498 .2996 .0524 |
|
O5 .5 0 .1506 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
La1.2 O4 U0.8 |
| |
Rojas R, Herrero P, Garcia Chain P, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 112 (1994) 322-328 |
|
Structural study of the rhombohedral fluorite-related RIII phase U1- |
|
yLayO2+x, 0.56 |
|
_cod_database_code 1006067 |
|
_database_code_amcsd 0013830 |
|
3.94275 3.94275 18.87889 90 90 120 R-3m |
|
atom x y z occ |
|
La1 0 0 0 |
|
La2 0 0 .5 .2 |
|
U1 0 0 .5 .8 |
|
O1 0 0 .1334 |
|
O2 0 0 .3847 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu2 Ho2 O5 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006083 |
|
_database_code_amcsd 0013844 |
|
10.8096 3.4962 12.4735 90 90 90 Pna2_1 |
|
atom x y z |
|
Ho1 .208 .227 0 |
|
Ho2 .0424 .226 .3303 |
|
Cu1 .9902 .662 .115 |
|
Cu2 .2610 .664 .217 |
|
O1 .173 .726 .359 |
|
O2 .324 .712 .066 |
|
O3 .124 .320 .169 |
|
O4 .427 .776 .263 |
|
O5 .426 .230 .479 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu2 O5 Y2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006084 |
|
_database_code_amcsd 0013845 |
|
10.796 3.494 12.4546 90 90 90 Pna2_1 |
|
atom x y z |
|
Y1 .2067 .231 0 |
|
Y2 .0406 .232 .3294 |
|
Cu1 .9909 .656 .1123 |
|
Cu2 .2602 .674 .2151 |
|
O1 .1761 .723 .3487 |
|
O2 .3262 .733 .0665 |
|
O3 .123 .314 .165 |
|
O4 .431 .781 .263 |
|
O5 .4241 .236 .470 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu2 Er2 O5 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006085 |
|
_database_code_amcsd 0013846 |
|
10.7839 3.4745 12.4434 90 90 90 Pna2_1 |
|
atom x y z |
|
Er1 .207 .226 0 |
|
Er2 .0414 .222 .3300 |
|
Cu1 .9911 .653 .112 |
|
Cu2 .2593 .669 .215 |
|
O1 .176 .727 .357 |
|
O2 .322 .713 .059 |
|
O3 .124 .319 .167 |
|
O4 .427 .773 .259 |
|
O5 .424 .227 .476 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu2 O5 Tm2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006086 |
|
_database_code_amcsd 0013847 |
|
10.7353 3.4575 12.3704 90 90 90 Pna2_1 |
|
atom x y z |
|
Tm1 .208 .234 0 |
|
Tm2 .040 .225 .3308 |
|
Cu1 .9892 .650 .114 |
|
Cu2 .2598 .672 .216 |
|
O1 .173 .724 .358 |
|
O2 .323 .722 .065 |
|
O3 .127 .304 .167 |
|
O4 .428 .776 .262 |
|
O5 .424 .228 .477 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu2 O5 Yb2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006087 |
|
_database_code_amcsd 0013848 |
|
10.7290 3.4355 12.3531 90 90 90 Pna2_1 |
|
atom x y z |
|
Yb1 .2088 .2269 0 |
|
Yb2 .0416 .2231 .3304 |
|
Cu1 .9907 .661 .113 |
|
Cu2 .2608 .661 .217 |
|
O1 .174 .729 .357 |
|
O2 .323 .718 .064 |
|
O3 .125 .313 .165 |
|
O4 .428 .778 .263 |
|
O5 .425 .228 .476 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu Nb2 O6 |
| |
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H |
| |
Journal of Solid State Chemistry 115 (1995) 476-483 |
|
Structural relations in mixed oxides Cux Zn1-x Nb2 O6 |
|
_cod_database_code 1006088 |
|
_database_code_amcsd 0013852 |
|
14.097 5.613 5.123 90 90 90 Pbcn |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 .3297 .25 .0072 .0062 .0085 0 .0021 0 |
|
Nb1 .1598 .1825 .7805 .0059 .0061 .0045 .0000 -.0003 .0001 |
|
O1 .0922 .1024 .1006 .0083 .0074 .0056 .0012 .0004 .0007 |
|
O2 .4161 .0955 .1459 .0099 .0088 .0101 .0024 -.0004 .0000 |
|
O3 .7589 .1282 .0474 .0078 .0083 .0062 .0023 .0007 .0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu0.36 Nb2 O6 Zn0.64 |
| |
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H |
| |
Journal of Solid State Chemistry 115 (1995) 476-483 |
|
Structural relations in mixed oxides Cux Zn1-x Nb2 O6 |
|
_cod_database_code 1006089 |
|
_database_code_amcsd 0013853 |
|
14.187 5.730 5.031 90 90 90 Pbcn |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 .3272 .25 .36 .0065 .0083 .0075 0 -.0002 0 |
|
Zn1 0 .3272 .25 .64 .0065 .0083 .0075 0 -.0002 0 |
|
Nb1 .3396 .3180 .2444 .0048 .0042 .0053 .0001 .0003 .0001 |
|
O1 .0962 .1047 .0673 .0068 .0061 .0064 .0015 .0012 .0002 |
|
O2 .2443 .1222 .4144 .0071 .0060 .006 -.0009 .0010 .0009 |
|
O3 .4198 .1188 .0866 .0086 .0064 .0091 .0020 .0016 -.0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu Nb2 O6 |
| |
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H |
| |
Journal of Solid State Chemistry 115 (1995) 476-483 |
|
Structural relations in mixed oxides Cux Zn1-x Nb2 O6 |
|
_cod_database_code 1006090 |
|
_database_code_amcsd 0013854 |
|
5.0064 14.1733 5.7615 90 91.672 90 P2_1/c |
|
atom x y z |
|
Cu1 .2502 .0002 .3420 |
|
Nb1 .7370 .1607 .2037 |
|
Nb2 .2353 .1615 .8466 |
|
O1 .0627 .0965 .1378 |
|
O2 .5737 .0781 .4009 |
|
O3 .4037 .2451 .1448 |
|
O4 .9002 .2448 .9086 |
|
O5 .5560 .0969 .9229 |
|
O6 .0643 .0799 .6519 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cu0.85 Nb2 O6 Zn0.15 |
| |
Norwig J, Weitzel H, Paulus H, Lautenschlaeger G, Rodriguez-Carvajal J, Fuess H |
| |
Journal of Solid State Chemistry 115 (1995) 476-483 |
|
Structural relations in mixed oxides Cux Zn1-x Nb2 O6 |
|
_cod_database_code 1006091 |
|
_database_code_amcsd 0013855 |
|
5.0070 14.1706 5.7547 90 91.451 90 P2_1/c |
|
atom x y z occ |
|
Cu1 .2518 .0011 .3383 .85 |
|
Zn1 .2518 .0011 .3383 .15 |
|
Nb1 .7371 .1599 .2014 |
|
Nb2 .2336 .1623 .8411 |
|
O1 .0621 .0963 .1321 |
|
O2 .5759 .0784 .3991 |
|
O3 .4049 .2448 .1430 |
|
O4 .9008 .2448 .9040 |
|
O5 .5560 .0974 .9212 |
|
O6 .0643 .0795 .6489 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba2 Cl F7 Ni2 |
| |
Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 131 (1997) 198-214 |
|
Magnetic properties and neutron diffraction study of the chlorofluoride |
|
series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
|
_cod_database_code 1000447 |
|
_database_code_amcsd 0013926 |
|
7.602 5.766 8.788 90 106.72 90 P2_1/m |
|
atom x y z |
|
Ba1 .3111 .25 .5819 |
|
Ba2 .3073 .25 .0687 |
|
Ni1 .8245 .25 .7182 |
|
Ni2 .8152 .25 .1795 |
|
Cl1 .8832 .25 .4710 |
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F1 .6323 .0038 .1555 |
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F2 .0023 -.0035 .8269 |
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F3 .6340 .0066 .6561 |
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F4 .756 .25 .9363 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Ba2 Cl F7 Mn Ni |
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Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
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Journal of Solid State Chemistry 131 (1997) 198-214 |
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Magnetic properties and neutron diffraction study of the chlorofluoride |
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series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
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_cod_database_code 1000448 |
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_database_code_amcsd 0013927 |
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7.746 5.820 8.898 90 106.63 90 P2_1/m |
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atom x y z occ |
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Ba1 .323 .25 .576 |
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Ba2 .323 .25 .081 |
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Mn1 .830 .25 .723 .5 |
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Ni1 .830 .25 .723 .5 |
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Mn2 .799 .25 .164 .5 |
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Ni2 .799 .25 .164 .5 |
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Cl1 .881 .25 .463 |
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F1 .634 .004 .161 |
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F2 -.027 -.032 .823 |
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F3 .631 .009 .656 |
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F4 .747 .25 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ba2 Cl Co F7 Fe |
| |
Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 131 (1997) 198-214 |
|
Magnetic properties and neutron diffraction study of the chlorofluoride |
|
series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
|
_cod_database_code 1000449 |
|
_database_code_amcsd 0013928 |
|
7.749 5.771 8.950 90 106.80 90 P2_1/m |
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atom x y z occ |
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Ba1 .322 .25 .586 |
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Ba2 .323 .25 .075 |
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Fe1 .831 .25 .709 .5 |
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Co1 .831 .25 .709 .5 |
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Fe2 .819 .25 .172 .5 |
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Co2 .819 .25 .172 .5 |
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Cl1 .876 .25 .472 |
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F1 .635 .008 .152 |
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F2 .021 .043 .836 |
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F3 .637 .002 .656 |
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F4 .756 .25 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
La2 Li O6 Sb |
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Lopez M, Veiga M, Rodriguez-Carvajal J, Fernandez F, Jerez A, Pico C |
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Materials Research Bulletin 27 (1992) 647-654 |
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The monoclinic perovskite La2LiSbO6. A Rietveld refinement of |
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neutron powder diffraction data |
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_cod_database_code 1006046 |
|
_database_code_amcsd 0014366 |
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5.6226 5.7199 7.9689 90 89.796 90 P2_1/n |
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atom x y z |
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La1 .5101 .5442 .2535 |
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Li1 0 .5 0 |
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Sb1 .5 0 0 |
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O1 .2133 .1949 -.0420 |
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O2 .3005 .7179 -.0456 |
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O3 .4132 .9781 .2394 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Perovskite (La, Cu, Ti) |
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Palacin M, Bassas J, Rodriguez-Carvajal J, Fuertes A, Casan-Pastor N, Gomez-Romero P |
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Materials Research Bulletin 29 (1994) 973-980 |
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Studies of the formation and reduction of a mixed three-dimensional |
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perovskite of copper and titanium |
|
_cod_database_code 1006117 |
|
_database_code_amcsd 0014369 |
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5.575 7.866 5.579 90 90 90 Pnma |
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atom x y z occ |
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La1 .0181 .25 -.0016 |
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Cu1 0 0 .5 .48 |
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Ti1 0 0 .5 .52 |
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O1 .496 .25 .064 |
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O2 .271 .037 .718 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Bi4 Cu5 O19.06 Sr7.86 |
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Caldes M, Navarro J, Fuertes A, Obradors X, Miravitlles C, |
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Rodriguez-Carvajal J, Vallet M, Gonzalez-Calbet J |
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Materials Research Society Symposia Proceedings 169 (1990) 133-138 |
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High resolution neutron powder diffraction study of the tubular phase |
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Bi4Sr8Cu5O19+x |
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_cod_database_code 1006050 |
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_database_code_amcsd 0014384 |
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3.671 33.9719 24.0722 90 90 90 Fmmm |
|
atom x y z occ |
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Bi1 0 .2883 .1889 |
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Bi2 0 .1343 .1909 |
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Sr1 0 .2112 .0741 |
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Sr2 0 .0573 .0855 .930 |
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Sr3 0 .3652 .0783 |
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Sr4 0 .4455 .1961 |
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Cu1 0 .4422 0 |
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Cu2 0 .1339 0 |
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Cu3 0 .2901 0 |
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Cu4 0 .5 .0833 |
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Cu5 0 0 .1947 |
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O1 0 .1351 .1047 |
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O2 .5 .2093 .1026 |
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O3 0 .0740 .1963 |
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O4 .5 .0562 .0813 .842 |
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O5 .3825 .2753 .1835 .5 |
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O6 .4018 .1329 .1845 .5 |
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O7 .2346 .0932 0 .620 |
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O8 .2541 .1711 0 |
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O9 .25 .25 0 |
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O10 .2394 0 .1392 .796 |
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O11 .25 0 .25 |
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O12 .3575 0 0 .544 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
F4 K Mn |
| |
Moron M, Palacio F, Rodriguez-Carvajal J |
| |
Physica B 180 (1992) 125-127 |
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Neutron powder diffraction experiments on AMnF4 (A = K, Rb): nuclear |
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and magnetic structures |
|
_cod_database_code 1006039 |
|
_database_code_amcsd 0015005 |
|
7.7063 7.6568 5.7889 90 90.434 90 P2_1/a |
|
atom x y z |
|
Mn1 0 0 0 |
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Mn2 .5 0 0 |
|
F1 .0033 .2359 .1150 |
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F2 -.2630 -.0193 .0952 |
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F3 .0554 -.0761 .2884 |
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F4 -.0638 .5611 .2883 |
|
K1 .7458 .3023 .4885 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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