|
K4 Nb8 O34 P4 Si |
| |
Leclaire A, Borel M, Chardon J, Grandin A, Raveau B |
 |
Acta Crystallographica C48 (1992) 1744-1747 |
|
A niobium silicophosphate belonging to the niobium phosphate |
|
bronzeseries: K4Nb8P4SiO34 |
|
_cod_database_code 1001541 |
|
_database_code_amcsd 0010275 |
|
10.6050 10.6050 6.4099 90 90 90 P-4m2 |
|
atom x y z |
|
Nb1 .5 .1847 .2035 |
|
Nb2 .17750 .17750 0 |
|
Si1 .5 .5 0 |
|
P1 .2397 .2397 .5 |
|
K1 0 0 .5 |
|
K2 0 .5 .2923 |
|
K3 .5 .5 .5 |
|
O1 .5 0 .261 |
|
O2 .3638 .1747 .0215 |
|
O3 .3790 .2154 .4530 |
|
O4 .5 .3819 .145 |
|
O5 .1756 0 .032 |
|
O6 .1586 .1982 .3115 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
O10 P2 Pb V2 |
| |
Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
|
Acta Crystallographica C48 (1992) 1913-1915 |
|
Structure of PbV2P2O10 |
|
_cod_database_code 1001534 |
|
_database_code_amcsd 0010277 |
|
5.2306 8.5805 16.790 90 91.01 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .06382 .19558 .18163 .00717 .00318 .00082 -.0013 .00057 -.00071 |
|
V1 .1397 .8454 .06649 .0028 .0027 .00028 .0009 -.0002 -.0004 |
|
V2 .4587 .0373 .34912 .0044 .0017 .00026 -.0001 .0000 .0000 |
|
P1 .3617 .2756 .0196 .0034 .0022 .00017 -.0008 .0001 -.0002 |
|
P2 .3721 .4171 .3217 .0024 .0013 .00021 .0001 -.0002 -.0001 |
|
O1 .173 .6798 .1102 .005 .0037 .0009 -.005 .0000 .0007 |
|
O2 -.118 .8289 -.0232 .003 .0049 .0003 -.004 -.0002 .0004 |
|
O3 -.144 .9498 .1260 .005 .0036 .0008 .002 .0010 -.0014 |
|
O4 .399 .8235 -.0135 .006 .0039 .0007 .003 .0009 .0002 |
|
O5 .372 .9689 .1392 .005 .0026 .0008 -.002 -.0009 .0002 |
|
O6 .212 -.0518 .3143 .006 .0037 .0013 -.004 -.001 -.0013 |
|
O7 .381 .2442 .2998 .009 .0023 .0003 .001 -.0017 -.0001 |
|
O8 .680 .0117 .2544 .005 .0036 .0003 -.002 -.0008 -.0014 |
|
O9 .640 -.1430 .3978 .009 .0032 .0003 .007 .0016 -.0002 |
|
O10 .339 .1071 .4520 .009 .0030 .0005 -.003 .0004 -.0015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ca0.75 K6.5 Nb14 O47 Si4 |
| |
Borel M, Chardon J, Grandin A, Leclaire A, Raveau B |
|
Acta Crystallographica C49 (1993) 570-571 |
|
Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 |
|
_cod_database_code 1001861 |
|
_database_code_amcsd 0010283 |
|
9.046 9.046 27.883 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Nb1 .24520 0 .04437 |
|
Nb2 .23777 0 .18222 |
|
Nb3 1/3 2/3 0 |
|
Si1 1/3 2/3 .19176 |
|
K1 .5924 0 .10739 |
|
K2 .6018 0 .25 .1667 |
|
Ca1 .6018 0 .25 .25 |
|
O1 .2172 0 .1106 |
|
O2 .2752 0 .25 |
|
O3 .1973 0 .5328 |
|
O4 .1744 0 .6862 |
|
O5 1/3 2/3 .25 |
|
O6 .1817 .4856 .1731 |
|
O7 .1684 .4815 .4584 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ca0.81 Cu2 O7 Sr2 Tl1.19 |
| |
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
| |
Chemistry of Materials 7 (1995) 1414-1418 |
|
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
|
_cod_database_code 1001666 |
|
_database_code_amcsd 0012204 |
|
3.7966 3.7966 12.092 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0793 0 0 .25 |
|
Ca1 .5 .5 .5 .81 |
|
Tl2 .5 .5 .5 .19 |
|
Sr1 .5 .5 .2165 |
|
Cu1 0 0 .3642 |
|
O1 0 .5 .3714 |
|
O2 0 0 .166 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ca0.81 Cu2 O7 Sr2 Tl1.19 |
| |
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
| |
Chemistry of Materials 7 (1995) 1414-1418 |
|
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
|
_cod_database_code 1001667 |
|
_database_code_amcsd 0012205 |
|
3.7808 3.7808 12.0855 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0701 0 0 .25 |
|
Ca1 .5 .5 .5 .81 |
|
Tl2 .5 .5 .5 .19 |
|
Sr1 .5 .5 .2130 |
|
Cu1 0 0 .3622 |
|
O1 0 .5 .3709 |
|
O2 0 0 .1667 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
K2 O9 P2 W |
| |
Borel M, Leclaire A, Chardon J, Michel C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 324 (1997) 189-195 |
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New molybdeno- and tungstodiphosphates with the (NH4)2MoO2P2O7 chain-like structure |
|
_cod_database_code 1001766 |
|
_database_code_amcsd 0012320 |
|
13.766 8.002 15.497 90 98.34 90 C2/c |
|
atom x y z |
|
W1 .11472 .14487 .13527 |
|
P1 .1283 .0821 .3443 |
|
P2 -.0367 .5596 .5768 |
|
K1 .3543 .1619 .2613 |
|
K2 .1436 .5817 -.0216 |
|
O1 .1468 .331 .1866 |
|
O2 .2255 .075 .1120 |
|
O3 .0711 .25 .0195 |
|
O4 .1220 .019 .2491 |
|
O5 -.0367 .181 .1449 |
|
O6 .0525 -.088 .0821 |
|
O7 .1257 -.090 .3965 |
|
O8 .2226 .167 .3780 |
|
O9 -.0259 .352 .6296 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cd O10 P2 V2 |
| |
Leclaire A, Grandin A, Chardon J, Borel M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 393-400 |
|
A new vanadium(IV) monophosphate Cd(VO)2(PO4)2 |
|
_cod_database_code 1001519 |
|
_database_code_amcsd 0012570 |
|
5.187 7.959 17.187 90 92.74 90 P2_1/c |
|
atom x y z |
|
Cd1 .10544 .21886 .18185 |
|
V1 .15619 .87532 .06829 |
|
V2 .45198 .03234 .35163 |
|
P1 .3604 .2676 .01572 |
|
P2 .3340 .43697 .31472 |
|
O1 .1933 .6957 .1096 |
|
O2 .8641 .8627 -.0126 |
|
O3 -.0954 .9900 .1410 |
|
O4 .3828 .8229 -.0155 |
|
O5 .4144 .9896 .1422 |
|
O6 .2258 -.0920 .3180 |
|
O7 .3199 .2444 .2995 |
|
O8 .6956 .0197 .2652 |
|
O9 .6691 .8566 .4044 |
|
O10 .3248 .1065 .4500 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cd O10 P2 V2 |
| |
Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 461-469 |
|
A novel form of Cd(VO)2(PO4)2 isotypic with Ca(VO)2(PO4)2 |
|
_cod_database_code 1001520 |
|
_database_code_amcsd 0012575 |
|
11.571 15.880 7.138 90 90 90 Fdd2 |
|
atom x y z |
|
Cd1 0 0 0 |
|
V1 .10985 .11812 .6034 |
|
P1 .2508 .04192 .2444 |
|
O1 .2513 .1701 .7425 |
|
O2 .1052 .2331 .4720 |
|
O3 .2360 .0981 .4171 |
|
O4 .1406 .0144 .7676 |
|
O5 .0133 .1493 .8271 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
K2 Na1.73 Nb8 O34 P5 |
| |
Benabbas A, Borel M, Grandin A, Chardon J, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 323-330 |
|
The niobium phosphate bronze beta-K2Na2-xNb8P5O34, second |
|
form of the first member of the series (K3Nb6P4O26)nKNb2PO8 |
|
_cod_database_code 1001478 |
|
_database_code_amcsd 0013709 |
|
10.612 10.612 6.384 90 90 90 P-4m2 |
|
atom x y z occ |
|
Nb1 .5 .18295 .20093 |
|
Nb2 .17682 .17682 0 |
|
P1 .5 .5 0 |
|
P2 .24040 .24040 .5 |
|
O1 .5 0 .256 |
|
O2 .3649 .1753 .0200 |
|
O3 .3793 .2155 .4548 |
|
O4 .5 .3841 .151 |
|
O5 .1776 0 .0340 |
|
O6 .1592 .1978 .3114 |
|
Na1 .5 .5 .5 .73 |
|
K1 0 0 .5 |
|
K2 0 .5 .2965 .5 |
|
Na2 0 .5 .2965 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ba O10 P2 V2 |
| |
Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 99 (1992) 297-302 |
|
BaV2P2O10, a new tetravalent vanadium phosphate with a tunnel |
|
structure |
|
_cod_database_code 1001542 |
|
_database_code_amcsd 0013739 |
|
5.2204 9.1702 16.3247 90 92.757 90 P2_1/c |
|
atom x y z |
|
Ba1 .00266 .20027 .18004 |
|
V1 .11936 .81937 .06397 |
|
V2 .45604 .04678 .34292 |
|
P1 .3913 .29316 .02522 |
|
P2 .3826 .40559 .32798 |
|
O1 .1600 .6711 .1149 |
|
O2 .8462 .8087 -.0244 |
|
O3 .8591 .9291 .1232 |
|
O4 .3531 .7907 -.0267 |
|
O5 .3701 .9440 .1233 |
|
O6 .1927 -.0234 .3055 |
|
O7 .3921 .2488 .2952 |
|
O8 .6551 .0132 .2440 |
|
O9 .6229 .8728 .3918 |
|
O10 .3646 .1072 .4514 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
AgV2P2O10 |
| |
Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 104 (1993) 226-231 |
|
A mixed valent vanadium phosphate closely related to BaV2P2O10: AgV2P2O10 |
|
_cod_database_code 1001566 |
|
_database_code_amcsd 0013778 |
|
5.256 8.117 16.966 90 91.46 90 P2_1/c |
|
atom x y z |
|
Ag1 .07526 .20627 .18857 |
|
V1 .14413 .86962 .06988 |
|
V2 .46419 .03216 .35275 |
|
P1 .3664 .26446 .01677 |
|
P2 .3564 .42347 .31759 |
|
O1 .1727 .6911 .1095 |
|
O2 .8632 .8546 -.0134 |
|
O3 .8820 .9710 .1386 |
|
O4 .3837 .8271 -.0141 |
|
O5 .3988 .9799 .1413 |
|
O6 .2285 -.0757 .3237 |
|
O7 .3582 .2360 .3028 |
|
O8 .6749 .0052 .2649 |
|
O9 .6566 .8633 .4057 |
|
O10 .3416 .1103 .4478 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
O17 P4 Pb2 V3 |
| |
Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
| |
Journal of Solid State Chemistry 108 (1994) 291-298 |
|
The monophosphate Pb2V2VO(PO4)4: a tunnel structure with the |
|
mixed valence V(III)-V(IV) |
|
_cod_database_code 1001616 |
|
_database_code_amcsd 0013794 |
|
17.74699 18.05099 9.344 90 117.03 90 C2/c |
|
atom x y z |
|
Pb1 .11296 .12510 .01898 |
|
Pb2 .22976 .47431 .46871 |
|
V1 .4472 .2102 .4457 |
|
V2 .2469 .3097 .2474 |
|
V3 0 .0612 .25 |
|
V4 .5 .0559 .25 |
|
P1 .1385 .1989 .3627 |
|
P2 .3879 .4437 .3419 |
|
P3 .3324 .1657 .1492 |
|
P4 .0830 .4212 .1295 |
|
O1 .5041 .2729 .422 |
|
O2 .3285 .2246 .270 |
|
O3 .4131 .2441 .601 |
|
O4 .4256 .1401 .261 |
|
O5 .5147 .1365 .597 |
|
O6 .1738 .3924 .240 |
|
O7 .2899 .3316 .482 |
|
O8 .1727 .2303 .251 |
|
O9 .1804 .2975 .003 |
|
O10 .3384 .3750 .251 |
|
O11 .0364 .0732 .495 |
|
O12 .0809 -.0204 .272 |
|
O13 .0882 .1325 .265 |
|
O14 .5776 -.0138 .234 |
|
O15 .4185 .0499 .023 |
|
O16 .3290 .4991 .367 |
|
O17 .2708 .1026 .123 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
K0.58 O7 P2 Ti |
| |
Leclaire A, Chardon, Borel M, Raveau B |
| |
Journal of Solid State Chemistry 109 (1994) 83-87 |
|
A mixed valent titanium diphosphate with an intersecting tunnel |
|
structure K0.58TiP2O7 |
|
_cod_database_code 1001621 |
|
_database_code_amcsd 0013797 |
|
17.85199 6.298 12.181 90 119.73 90 C2/c |
|
atom x y z occ |
|
Ti1 .36879 .1029 .2804 |
|
P1 .4133 .1114 .0463 |
|
P2 .1534 .1155 .1686 |
|
K1 .2701 .331 .5091 .5 |
|
K2 0 .11 .25 .08 |
|
O1 .2443 .112 .1881 |
|
O2 .3593 -.210 .2553 |
|
O3 .3648 .141 .1177 |
|
O4 .4931 .068 .3683 |
|
O5 .3775 .408 .3101 |
|
O6 .3688 .056 .4442 |
|
O7 .0923 .167 .0220 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Rb3Nb5P2O19 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 111 (1994) 26-32 |
|
A phosphoniobate with an intersecting tunnel structure related to |
|
pyrochlore: Rb3Nb5P2O19 |
|
_cod_database_code 1001623 |
|
_database_code_amcsd 0013809 |
|
12.989 12.989 53.91199 90 90 120 R-3c |
|
atom x y z |
|
Nb1 0 0 0 |
|
Nb2 0 0 .15913 |
|
Nb3 .16987 .14913 .05416 |
|
Nb4 .01723 .16947 .21506 |
|
Rb1 .6723 0 .25 |
|
Rb2 .6529 .0031 .32112 |
|
P1 .2187 .2165 .11778 |
|
O1 .1263 .1223 .02055 |
|
O2 .1189 .1319 .13426 |
|
O3 .0063 .1255 .17797 |
|
O4 .1744 .2056 .40892 |
|
O5 .1230 -.0095 .06028 |
|
O6 .3314 .1957 .04485 |
|
O7 .2189 .3299 .04840 |
|
O8 .1325 .1256 .21878 |
|
O9 0 .1901 .25 |
|
O10 -.1041 .2272 .20524 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mo O9 P3 |
| |
Watson I, Borel M, Chardon J, Leclaire A |
| |
Journal of Solid State Chemistry 111 (1994) 253-256 |
|
Structure of the trivalent molybdenum metaphosphate Mo(PO3)3 |
|
_cod_database_code 1001602 |
|
_database_code_amcsd 0013813 |
|
10.819 19.515 9.609 90 97.74 90 Ia |
|
atom x y z |
|
Mo1 0 .17096 0 |
|
Mo2 .50301 .16133 .00075 |
|
Mo3 .48049 .99422 .51493 |
|
P1 .13457 .11402 .32050 |
|
P2 .34401 .11293 .69318 |
|
P3 .13263 .05395 .82716 |
|
P4 .72401 .10814 .5176 |
|
P5 .34834 .05238 .19737 |
|
P6 .64779 .22342 .31077 |
|
P7 .85918 .21809 .6848 |
|
P8 .26594 .22652 .4909 |
|
P9 .75198 .06020 -.0035 |
|
O1 .8906 .2532 .0504 |
|
O2 -.0341 .1943 .7884 |
|
O3 .8379 .1130 -.0451 |
|
O4 .1043 .0851 -.0401 |
|
O5 .1528 .2380 .0247 |
|
O6 .0362 .1427 .2132 |
|
O7 .5501 .2149 .1877 |
|
O8 .3670 .2328 -.0583 |
|
O9 .6321 .2191 -.0925 |
|
O10 .6346 .0826 .0476 |
|
O11 .3702 .1083 .0999 |
|
O12 .4491 .1138 .8090 |
|
O13 .6278 .0623 .5629 |
|
O14 .4462 .0395 .3182 |
|
O15 .5224 -.0364 .7248 |
|
O16 .5926 -.0818 .4456 |
|
O17 .3520 .0619 .5803 |
|
O18 .3382 -.0782 .4736 |
|
O19 .2163 .0604 .2492 |
|
O20 .2354 .1710 .3725 |
|
O21 .3251 .1866 .6279 |
|
O22 .2165 .1048 .7544 |
|
O23 .2226 -.0102 .8662 |
|
O24 .6582 .1538 .3944 |
|
O25 .7585 .1599 .6473 |
|
O26 .3303 -.0174 .1161 |
|
O27 .7810 .2728 .7586 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
BaMo4O8(PO4)2 |
| |
Borel M, Chardon J, Leclaire A, Grandin A, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 317-321 |
|
A molybdenum(V) monophosphate with a layer structure, BaMo4O8(PO4)2 |
|
_cod_database_code 1001611 |
|
_database_code_amcsd 0013829 |
|
7.475 7.475 11.156 90 90 90 I-42m |
|
atom x y z |
|
Ba1 0 0 0 |
|
Mo1 .87680 .87680 .62921 |
|
P1 .5 0 .5 |
|
O1 .8704 .1296 .5872 |
|
O2 .6127 .8742 .5783 |
|
O3 .8591 .8591 .7793 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ba Mo O8 P2 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 116 (1995) 364-368 |
|
A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer |
|
structure |
|
_cod_database_code 1001653 |
|
_database_code_amcsd 0013865 |
|
8.211 5.2757 7.816 90 94.778 90 C2/m |
|
atom x y z |
|
Ba1 0 0 0 |
|
Mo1 0 0 .5 |
|
P1 .1294 .5 .2899 |
|
O1 .0242 .2610 .3123 |
|
O2 .2652 .5 .4392 |
|
O3 .1862 .5 .1122 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mo1.17 Na0.75 O11 P2 W0.83 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 120 (1995) 353-357 |
|
A mixed-valent molybdenotungsten monophosphate with a tunnel structure: |
|
Nax(Mo,W)2O3(PO4)2 |
|
_cod_database_code 1001715 |
|
_database_code_amcsd 0013880 |
|
7.200 6.369 9.123 90 106.29 90 P2_1/m |
|
atom x y z occ |
|
W1 .1099 .25 .20000 .58 |
|
Mo1 .1099 .25 .20000 .42 |
|
W2 .3115 .25 .6345 .25 |
|
Mo2 .3115 .25 .6345 .75 |
|
P1 .4117 .75 .6106 |
|
P2 .0167 .75 .1738 |
|
Na1 .481 .594 .959 .1875 |
|
Na2 .391 .496 .018 .1875 |
|
O1 .864 .25 .128 |
|
O2 .132 .25 .394 |
|
O3 .149 .556 .184 |
|
O4 .144 .25 -.026 |
|
O5 .419 .25 .247 |
|
O6 .454 .25 .816 |
|
O7 .067 .25 .690 |
|
O8 .283 .557 .607 |
|
O9 .523 .25 .535 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
K6.6Mo2.36W3.64O15(PO4)4 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 1-8 |
|
A molybdenotungsten monophosphate with an opened structure |
|
K6.6Mo2.36W3.64O15(PO4)4 |
|
_cod_database_code 1001733 |
|
_database_code_amcsd 0013902 |
|
17.545 17.545 15.714 90 90 120 R-3 |
|
atom x y z occ |
|
W1 .46896 .17281 .00563 .74 |
|
Mo1 .46896 .17281 .00563 .26 |
|
W2 .2270 .2765 .1310 .48 |
|
Mo2 .2270 .2765 .1310 .52 |
|
P1 .1504 .4154 .1559 |
|
P2 2/3 1/3 .0522 |
|
K1 0 0 0 .19 |
|
K2 0 0 .5 |
|
K3 .4633 .3873 .0230 |
|
K4 .166 .032 .098 .44 |
|
K5 .214 .048 .095 .56 |
|
O1 .452 .239 .077 |
|
O2 .600 .247 .013 |
|
O3 .470 .092 .082 |
|
O4 .354 .094 -.029 |
|
O5 .479 .256 -.094 |
|
O6 .513 .112 -.083 |
|
O7 .143 .183 .083 |
|
O8 .310 .256 .126 |
|
O9 .314 .397 .198 |
|
O10 .134 .320 .147 |
|
O11 2/3 1/3 .147 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Mo1.04 O11 P2 W0.96 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 128 (1997) 191-196 |
|
The molybdenotungsten monophosphate Mo W O3 (P O4)2: an original three- |
|
dimensional framework built up of "M P O8" chains (M = Mo, W) |
|
_cod_database_code 1001804 |
|
_database_code_amcsd 0013915 |
|
7.827 12.538 7.833 90 92.36 90 P2_1/m |
|
atom x y z occ |
|
W1 .14929 .49729 .69218 .55 |
|
Mo1 .14929 .49729 .69218 .45 |
|
W2 .3591 .25 .2021 .47 |
|
Mo2 .3591 .25 .2021 .53 |
|
W3 .3608 .75 .1898 .35 |
|
Mo3 .3608 .75 .1898 .65 |
|
P1 .2526 .4946 .1173 |
|
P2 .2494 .75 .6037 |
|
P3 .0741 .25 .8468 |
|
O1 .3309 .4761 .5881 |
|
O2 0 .5 .5 |
|
O3 .1694 .6534 .6903 |
|
O4 .2622 .5050 .9228 |
|
O5 .1016 .3473 .7355 |
|
O6 -.0767 .5311 .8295 |
|
O7 .2080 .25 -.005 |
|
O8 .3761 .4034 .1754 |
|
O9 .204 .25 .346 |
|
O10 .5662 .25 .017 |
|
O11 .555 .25 .356 |
|
O12 .1011 .75 .077 |
|
O13 .3254 .5949 .2039 |
|
O14 .220 .75 .413 |
|
O15 .548 .75 .308 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Li Mo0.68 O11 P2 W1.32 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 128 (1997) 215-219 |
|
A mixed valent molybdenotungsten monophosphate with an original |
|
intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2 |
|
_cod_database_code 1001805 |
|
_database_code_amcsd 0013916 |
|
8.142 6.361 7.728 90 102.45 90 C2/m |
|
atom x y z occ |
|
Mo1 .15211 0 .21944 .34 |
|
W1 .15211 0 .21944 .66 |
|
P1 .2465 .5 .3305 |
|
Li1 0 .5 0 |
|
O1 .3271 0 .1338 |
|
O2 0 0 0 |
|
O3 .2667 0 .4754 |
|
O4 .1460 .3118 .2343 |
|
O5 -.0745 0 .3130 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Mo1.983 O17 P3 Rb2 W1.017 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 130 (1997) 48-53 |
|
Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an |
|
interconnected tunnel structure |
|
_cod_database_code 1001809 |
|
_database_code_amcsd 0013922 |
|
10.756 9.493 15.478 90 108.99 90 P2_1/n |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .31228 .1226 .06091 .572 .0089 .0074 .0044 .0006 .0025 -.0007 |
|
Mo1 .31228 .1226 .06091 .428 .0089 .0074 .0044 .0006 .0025 -.0007 |
|
W2 .4765 .2544 .40162 .328 .0140 .0093 .0049 -.0021 .0056 -.0016 |
|
Mo2 .4765 .2544 .40162 .672 .0140 .0093 .0049 -.0021 .0056 -.0016 |
|
W3 .8019 .1197 .25667 .117 .0113 .0079 .0048 -.0001 .0037 -.0017 |
|
Mo3 .8019 .1197 .25667 .883 .0113 .0079 .0048 -.0001 .0037 -.0017 |
|
Rb1 .1032 .3691 .2107 .034 .029 .0170 -.003 .0052 .0008 |
|
Rb2 .208 .097 .4927 .25 |
|
Rb3 .1635 .1363 .4937 .75 |
|
P1 .0779 .5976 .6219 .013 .005 .005 .000 .003 -.001 |
|
P2 .4021 .4034 .5699 .016 .010 .004 .001 .006 .000 |
|
P3 .5381 .3248 .2007 .016 .012 .008 -.001 .005 .001 |
|
O1 .25 .116 .1496 |
|
O2 .191 .217 -.0206 |
|
O3 .232 -.056 .0005 |
|
O4 .421 .291 .1144 |
|
O5 .462 -.006 .1291 |
|
O6 .437 .137 -.0242 |
|
O7 .312 .251 .3543 |
|
O8 .515 .081 .4211 |
|
O9 .464 .289 .5270 |
|
O10 .515 .261 .2840 |
|
O11 .509 .471 .4025 |
|
O12 .743 .078 .3418 |
|
O13 .711 -.026 .1659 |
|
O14 .958 -.015 .2974 |
|
O15 .665 .262 .1921 |
|
O16 .929 .268 .3228 |
|
O17 .881 .172 .1506 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
K2 O15 P4 V2 |
| |
Borel M, Leclaire A, Chardon J, Provost J, Rebbah H, Raveau B |
| |
Journal of Solid State Chemistry 132 (1997) 41-46 |
|
A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13 |
|
_cod_database_code 1001813 |
|
_database_code_amcsd 0013933 |
|
22.181 11.564 9.548 90 90 90 Pbca |
|
atom x y z |
|
V1 .0304 .1198 .2578 |
|
V2 .22498 -.0687 -.0163 |
|
P1 .0299 .3814 .1254 |
|
P2 .1131 .5596 .2191 |
|
P3 .3086 .1510 -.0201 |
|
P4 .1675 .0270 .2708 |
|
K1 -.0619 .1544 -.0661 |
|
K2 .1351 .1998 -.0365 |
|
O1 .0361 .0856 .0959 |
|
O2 .0204 -.0394 .3326 |
|
O3 .1190 .1151 .2973 |
|
O4 .0416 .2917 .2393 |
|
O5 -.0608 .1418 .2559 |
|
O6 .0239 .1714 .4821 |
|
O7 .2759 .8834 .0824 |
|
O8 .2712 -.0729 .8050 |
|
O9 .1626 -.0253 .1262 |
|
O10 .1839 .7760 -.0516 |
|
O11 .2459 .1038 -.0141 |
|
O12 .1446 -.0163 .8443 |
|
O13 .0915 .4573 .1211 |
|
O14 .3410 .1299 .1257 |
|
O15 .3470 .0796 .8751 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
H26 K6 Mo3 O53 P W9 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Materials Research Bulletin 30 (1995) 1075-1080 |
|
A mixed valent Keggin polyoxometallate involving molybdenum and tungsten |
|
_cod_database_code 1001695 |
|
_database_code_amcsd 0014373 |
|
21.381 21.381 21.381 90 90 90 Fm3m |
|
atom x y z occ |
|
W1 .36819 .36819 .24564 .75 |
|
Mo1 .36819 .36819 .24564 .25 |
|
P1 .25 .25 .25 |
|
K1 .1880 0 0 |
|
K2 .25 .25 .5 |
|
O1 .4238 .4238 .2590 |
|
O2 .3198 .3198 .0908 |
|
O3 .3034 .3034 .3906 |
|
O4 .2082 .2082 .2082 |
|
O5 .335 0 0 |
|
O6 0 .3900 .3900 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Li0.5 Mo O11 P2 W |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Materials Research Bulletin 31 (1996) 1257-1262 |
|
Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten |
|
monophosphate Li0.5 Mo W O3 (P O4)2 |
|
_cod_database_code 1001754 |
|
_database_code_amcsd 0014377 |
|
7.735 12.655 8.324 90 105.97 90 P2_1/m |
|
atom x y z occ |
|
W1 .27080 .50078 .34735 .572 |
|
Mo1 .27080 .50078 .34735 .428 |
|
W2 .7309 .25 .1745 .497 |
|
Mo2 .7309 .25 .1745 .503 |
|
W3 .6865 .75 .1698 .360 |
|
Mo3 .6865 .75 .1698 .640 |
|
P1 .3207 .25 .2501 |
|
P2 .8160 .5064 .2609 |
|
P3 .1395 .75 .4091 |
|
Li1 .5 .5 0 |
|
O1 .3371 .5162 .1713 |
|
O2 .5 .5 .5 |
|
O3 .2447 .6531 .384 |
|
O4 .25 .3478 .329 |
|
O5 .0017 .502 .2328 |
|
O6 .1792 .4733 .5611 |
|
O7 .903 .25 .088 |
|
O8 .548 .25 -.024 |
|
O9 .7094 .4075 .188 |
|
O10 .889 .25 .416 |
|
O11 .524 .25 .296 |
|
O12 .623 .75 .344 |
|
O13 .955 .75 .280 |
|
O14 .7045 .5935 .145 |
|
O15 .765 .75 -.061 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 |
| |
Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B |
| |
Physica C 232 (1994) 387-395 |
|
(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal. |
|
A structural and magnetic study |
|
_cod_database_code 1001634 |
|
_database_code_amcsd 0015068 |
|
3.7922 3.7922 12.0661 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0575 0 0 .1675 .031 .0137 .0046 0 0 0 |
|
Bi1 .0575 0 0 .0825 .031 .0137 .0046 0 0 0 |
|
Ca1 .5 .5 .5 .89 .0083 .0083 .0091 0 0 0 |
|
Tl2 .5 .5 .5 .11 .0083 .0083 .0091 0 0 0 |
|
Sr1 .5 .5 .2170 .0101 .0101 .0124 0 0 0 |
|
Cu1 0 0 .3642 .0058 .0058 .0106 0 0 0 |
|
O1 0 .5 .3693 .012 .010 .014 0 0 0 |
|
O2 0 0 .1660 .016 .016 .010 0 0 0 |
|
O3 .411 .411 0 .25 .016 .016 .02 -.01 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ba Mo2 O14 P4 |
| |
Leclaire A, Chardon J, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 617 (1992) 127-130 |
|
A new molybdenum(III) phosphate: BaMo2P4O14 isotypic with |
|
BaM2P4O14 (M=Ti^III^,V^III^) |
|
_cod_database_code 1001516 |
|
_database_code_amcsd 0015799 |
|
10.8135 10.6407 9.8210 90 103.629 90 C2/c |
|
atom x y z |
|
Ba1 .25 .25 .5 |
|
Mo1 0 .5483 .25 |
|
Mo2 0 0 0 |
|
P1 .0564 .3080 .0577 |
|
P2 .2774 .4548 .1998 |
|
O1 .065 .324 -.093 |
|
O2 -.0373 .402 .099 |
|
O3 .017 .176 .094 |
|
O4 .193 .329 .159 |
|
O5 .339 .488 .084 |
|
O6 .183 .558 .213 |
|
O7 .366 .414 .336 |
|
|
| 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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