AMCSD Search Results

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The query is now

select distinct Amc_Table.fileno from Amc_Table LEFT JOIN Amc_Author ON Amc_Table.fileno=Amc_Author.fileno LEFT JOIN atomic_data ON Amc_Table.fileno = atomic_data.fileno WHERE ( Author_name LIKE 'Rodriguez-Carvajal%')

the size of the result array is 170

the size of the diff result array is 0

The total results from the merged set is 170

The total number of rows in result set is 170

The paginate value is 1

entering paginate loop

The total number to display on this page is 100 170 matching records for this search.

the file_query is
Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('14655.amc', '14656.amc', '15334.amc', '15335.amc', '15336.amc', '15392.amc', '15393.amc', '15394.amc', '15395.amc', '15725.amc', '15726.amc', '15739.amc', '15740.amc', '15741.amc', '15742.amc', '15743.amc', '15766.amc', '15767.amc', '15768.amc', '15771.amc', '15772.amc', '15773.amc', '15774.amc', '15775.amc', '15776.amc', '15777.amc', '15785.amc', '15786.amc', '15787.amc', '15788.amc', '15789.amc', '15790.amc', '15791.amc', '15792.amc', '15793.amc', '15807.amc', '15808.amc', '15809.amc', '15810.amc', '15811.amc', '15812.amc', '15816.amc', '16257.amc', '16258.amc', '16259.amc', '16260.amc', '16269.amc', '16526.amc', '16527.amc', '16528.amc', '16529.amc', '16534.amc', '16535.amc', '16536.amc', '16537.amc', '16538.amc', '16539.amc', '16555.amc', '16556.amc', '16557.amc', '16558.amc', '16559.amc', '16560.amc', '16561.amc', '16562.amc', '16563.amc', '16564.amc', '16565.amc', '16566.amc', '16567.amc', '17174.amc', '17175.amc', '17176.amc', '17177.amc', '17178.amc', '17179.amc', '17180.amc', '17243.amc', '17244.amc', '17245.amc', '17246.amc', '17251.amc', '17252.amc', '17271.amc', '17289.amc', '17290.amc', '17291.amc', '17292.amc', '17293.amc', '17298.amc', '17299.amc', '17300.amc', '17301.amc', '17388.amc', '17389.amc', '17390.amc', '18135.amc', '18152.amc', '18185.amc', '19433.amc') order by fileno

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

F1 .6323 .0038 .1555

F2 .0023 -.0035 .8269

F3 .6340 .0066 .6561

F4 .756 .25 .9363

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Ba2 Cl F7 Mn Ni

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 1000448

_database_code_amcsd 0013927

7.746 5.820 8.898 90 106.63 90 P2_1/m

atom x y z occ

Ba1 .323 .25 .576

Ba2 .323 .25 .081

Mn1 .830 .25 .723 .5

Ni1 .830 .25 .723 .5

Mn2 .799 .25 .164 .5

Ni2 .799 .25 .164 .5

Cl1 .881 .25 .463

F1 .634 .004 .161

F2 -.027 -.032 .823

F3 .631 .009 .656

F4 .747 .25 .938

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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

atom x y z occ

Ba1 .322 .25 .586

Ba2 .323 .25 .075

Fe1 .831 .25 .709 .5

Co1 .831 .25 .709 .5

Fe2 .819 .25 .172 .5

Co2 .819 .25 .172 .5

Cl1 .876 .25 .472

F1 .635 .008 .152

F2 .021 .043 .836

F3 .637 .002 .656

F4 .756 .25 .938

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La2 Li O6 Sb

Lopez M, Veiga M, Rodriguez-Carvajal J, Fernandez F, Jerez A, Pico C

Materials Research Bulletin 27 (1992) 647-654

The monoclinic perovskite La2LiSbO6. A Rietveld refinement of

neutron powder diffraction data

_cod_database_code 1006046

_database_code_amcsd 0014366

5.6226 5.7199 7.9689 90 89.796 90 P2_1/n

atom x y z

La1 .5101 .5442 .2535

Li1 0 .5 0

Sb1 .5 0 0

O1 .2133 .1949 -.0420

O2 .3005 .7179 -.0456

O3 .4132 .9781 .2394

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Perovskite (La, Cu, Ti)

Palacin M, Bassas J, Rodriguez-Carvajal J, Fuertes A, Casan-Pastor N, Gomez-Romero P

Materials Research Bulletin 29 (1994) 973-980

Studies of the formation and reduction of a mixed three-dimensional

perovskite of copper and titanium

_cod_database_code 1006117

_database_code_amcsd 0014369

5.575 7.866 5.579 90 90 90 Pnma

atom x y z occ

La1 .0181 .25 -.0016

Cu1 0 0 .5 .48

Ti1 0 0 .5 .52

O1 .496 .25 .064

O2 .271 .037 .718

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Bi4 Cu5 O19.06 Sr7.86

Caldes M, Navarro J, Fuertes A, Obradors X, Miravitlles C,

Rodriguez-Carvajal J, Vallet M, Gonzalez-Calbet J

Materials Research Society Symposia Proceedings 169 (1990) 133-138

High resolution neutron powder diffraction study of the tubular phase

Bi4Sr8Cu5O19+x

_cod_database_code 1006050

_database_code_amcsd 0014384

3.671 33.9719 24.0722 90 90 90 Fmmm

atom x y z occ

Bi1 0 .2883 .1889

Bi2 0 .1343 .1909

Sr1 0 .2112 .0741

Sr2 0 .0573 .0855 .930

Sr3 0 .3652 .0783

Sr4 0 .4455 .1961

Cu1 0 .4422 0

Cu2 0 .1339 0

Cu3 0 .2901 0

Cu4 0 .5 .0833

Cu5 0 0 .1947

O1 0 .1351 .1047

O2 .5 .2093 .1026

O3 0 .0740 .1963

O4 .5 .0562 .0813 .842

O5 .3825 .2753 .1835 .5

O6 .4018 .1329 .1845 .5

O7 .2346 .0932 0 .620

O8 .2541 .1711 0

O9 .25 .25 0

O10 .2394 0 .1392 .796

O11 .25 0 .25

O12 .3575 0 0 .544

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F4 K Mn

Moron M, Palacio F, Rodriguez-Carvajal J

Physica B 180 (1992) 125-127

Neutron powder diffraction experiments on AMnF4 (A = K, Rb): nuclear

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

Mn2 .5 0 0

F1 .0033 .2359 .1150

F2 -.2630 -.0193 .0952

F3 .0554 -.0761 .2884

F4 -.0638 .5611 .2883

K1 .7458 .3023 .4885

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