American Mineralogist Crystal Structure Database

26 matching records for this search.

K4 Nb8 O34 P4 Si
 
Leclaire A, Borel M, Chardon J, Grandin A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=48&spage=1744
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
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O10 P2 Pb V2
 
Grandin A, Chardon J, Borel M, Leclaire A, Raveau B
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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
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Ca0.75 K6.5 Nb14 O47 Si4
 
Borel M, Chardon J, Grandin A, Leclaire A, Raveau B
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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
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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
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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
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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
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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