American Mineralogist Crystal Structure Database

11 matching records for this search.

Ca2 O7 P2
 
Boudin S, Grandin A, Borel M, Leclaire A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=49&spage=2062
Acta Crystallographica C49 (1993) 2062-2064
Redetermination of the beta-Ca2P2O7 structure
_cod_database_code 1001556
_database_code_amcsd 0010288
6.6858 6.6858 24.147 90 90 90 P4_1
atom     x     y      z
Ca1  .1374 .2313      0
Ca2  .1591 .5447 .24262
Ca3  .7895 .7337 .13802
Ca4  .3627 .1054 .13548
P1   .6213 .3078 .02345
P2   .8673 .2534 .12431
P3   .0463 .7148 .01863
P4   .2873 .6462 .12074
O1   .4607 .1584  .0426
O2   .7727 .1984 -.0133
O3   .5303 .4921 -.0001
O4   .7395 .3776  .0789
O5   .7364 .0873  .1469
O6   .0519 .1769  .0953
O7   .8994 .4088  .1695
O8   .8537 .7907  .0433
O9   .1855 .8795 -.0011
O10  .0229 .5542 -.0249
O11  .1582 .5873  .0666
O12  .3450 .4526  .1474
O13  .4622 .7756  .1015
O14  .1474 .7722  .1572
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CdV2(P2O7)2
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
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Acta Crystallographica C50 (1994) 840-842
CdV2(P2O7)2
_cod_database_code 1001596
_database_code_amcsd 0010291
4.7833 6.9698 7.7644 89.41 87.77 73.16 P-1
atom      x      y      z
Cd1       0      0      0
V1        0      0     .5
V2       .5     .5      0
P1   .61504 .78903 .28111
P2   .03341 .38306 .24804
O1    .3861  .8415  .4226
O2    .1789  .0779  .7297
O3    .0792  .2191  .3769
O4    .3091  .4396  .2072
O5    .4959  .7742  .1019
O6    .8945  .3303  .0852
O7    .8019  .5693  .3332
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Ca O9 P2 V2
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=51&spage=796
Acta Crystallographica C51 (1995) 796-798
Ca V2 O (P O4)2, isotypic with the Cd phase
_cod_database_code 1001656
_database_code_amcsd 0010301
14.192 6.424 7.317 90 90 90 Pnma
atom      x     y      z
Ca1  .21979   .25  .1149
V1   .37954   .75  .1489
V2        0    .5      0
P1   .18974   .75  .1134
P2   .43270   .25  .1366
O1    .3662 .4378  .1278
O2    .2632   .75 -.0424
O3    .4929   .75  .0081
O4    .2514   .75  .2875
O5    .4442   .75  .3759
O6   -.0186   .25  .1750
O7    .1283 .5533  .1084
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(NH4)2(VO)(VP)O7
 
Boudin S, Grandin A, Labbe P, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=52&spage=2668
Acta Crystallographica C52 (1996) 2668-2670
(NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups
_cod_database_code 1001731
_database_code_amcsd 0010309
8.6233 8.6233 5.6384 90 90 90 P4bm
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1   .36969 .13031 .06353 .51   .011   .011  .0068  -.004  .0000  .0000
V1   .36969 .13031 .06353 .49  .0076  .0076   .025 -.0004 -.0059  .0059
V2        0      0  .0593      .0108  .0108  .0183      0      0      0
O1       .5     .5  .3436       .030   .030   .023      0      0      0
O2    .3699  .1301  .3440      .0229  .0229   .020  .0038  .0003 -.0003
O3    .7019  .4169 -.0402      .0134   .031   .034  .0065 -.0008 -.0097
O4       .5      0  -.035       .059   .059   .017  -.016      0      0
N1    .1701  .3299   .585       .049   .049   .029   .026   .000   .000
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Hg O14 P4 V2
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
 
Journal of Materials Chemistry 4 (1994) 1889-1892
Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases
_cod_database_code 1001669
_database_code_amcsd 0013073
4.848 6.892 8.077 92.65 93.26 106.23 P-1
atom      x      y      z
Hg1       0      0     .5
V1        0      0      0
V2       .5     .5     .5
P1    .3817 .75873 .80628
P2    .9714 .35984 .74191
O1    .1755 -.1107 -.1913
O2   -.1218  .1812 -.1584
O3   -.3752 -.1916 -.0624
O4    .1322  .3041  .5893
O5    .7310  .4425  .6837
O6    .4739  .7447  .6283
O7    .2071  .5318  .8472
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O14 P4 Pb V2
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
 
Journal of Materials Chemistry 4 (1994) 1889-1892
Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases
_cod_database_code 1001670
_database_code_amcsd 0013074
4.804 7.113 7.898 89.78 92.62 106.10 P-1
atom     x      y      z
Pb1      0      0     .5
V1       0      0      0
V2      .5     .5     .5
P1   .3817  .7706  .7978
P2   .9728  .3842  .7490
O1    .178 -.0956 -.2047
O2   -.088  .2023 -.1474
O3   -.376 -.1764 -.0709
O4    .125  .3514  .5892
O5    .703  .4457  .7066
O6    .474  .7565  .6163
O7    .197  .5567  .8519
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Cd3V4(PO4)6
 
Boudin S, Grandin A, Borel M, Leclaire A, Raveau B
 
Journal of Solid State Chemistry 110 (1994) 43-49
A trivalent vanadium monophosphate with a tunnel structure: Cd3V4(PO4)6
_cod_database_code 1001600
_database_code_amcsd 0013807
12.446 12.547 6.487 90 115.66 90 C2/c
atom      x      y     z occ
Cd1      .5 .25198   .25
Cd2   .0208 -.0003 .4637 .25
V1   .27756 .15402 .3676
P1    .2478  .3927 .1395
P2        0  .2189   .25
O1    .3200  .1615 .0950
O2    .2318  .3213 .3204
O3    .2988  .0052  .358
O4    .4457  .2096 .5346
O5    .0945  .1457  .229
O6    .3821  .3979  .202
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Cd2 O7 P V
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
 
Journal of Solid State Chemistry 111 (1994) 365-369
The diphosphovanadate Cd2VPO7: a mixed framework with pseudo-close-
packed octahedral layers connected through ditetrahedral VPO7 groups
_cod_database_code 1001604
_database_code_amcsd 0013815
4.712 10.791 5.620 90 97.34 90 P2_1/c
atom      x      y      z occ
Cd1  .88849 .15111 .59457
V1    .3559 .39044  .6494  .5
P1    .3559 .39044  .6494  .5
O1    .1202  .3213  .4708
O2    .6006  .2983  .7556
O3    .2137  .4518  .8654
O4       .5     .5     .5
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CdV2O(PO4)2
 
Boudin S, Grandin A, Borel M, Leclaire A, Raveau B
 
Journal of Solid State Chemistry 111 (1994) 380-384
A vanadium(III) monophosphate built up from rutile chains: CdV2O(PO4)2
_cod_database_code 1001605
_database_code_amcsd 0013816
14.308 6.318 7.248 90 90 90 Pnma
atom      x    y     z
Cd1  .22096  .25 .1207
V1    .3783  .75 .1488
V2        0   .5     0
P1    .1926  .75 .1101
P2    .4309  .25 .1317
O1    .3643 .439  .120
O2    .2636  .75 -.047
O3     .496  .75  .017
O4    .2531  .75  .285
O5    .4480  .75  .371
O6   -.0215  .25  .180
O7    .1316 .549  .105
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Zn3V4(PO4)6
 
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B
 
Journal of Solid State Chemistry 115 (1995) 140-145
The original structure of Zn3V4(PO4)6 involving bioctahedral V2O10
units and ZnO5 trigonal bipyramids
_cod_database_code 1001646
_database_code_amcsd 0013841
6.349 7.869 9.324 105.32 108.66 101.23 P-1
atom     x      y      z
Zn1      0      0      0
Zn2  .2855 .81462 .29056
V1   .3890  .4610 .11579
V2   .9548  .2846 .47813
P1   .9128  .4095  .1663
P2   .3954  .2312  .3683
P3   .2262  .1423  .7688
O1   .6909  .4581  .0820
O2   .5439  .7372  .2272
O3   .1238  .5404  .1624
O4   .4514  .3686  .2877
O5   .2257  .1962 -.0583
O6   .0159  .1811  .6579
O7   .2464  .2786  .4623
O8   .9376  .4566  .3455
O9   .6297  .2320  .4924
O10  .7868  .0575  .2924
O11  .8948  .2127  .0857
O12  .2707  .0371  .2336
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O9 P2 Sr V2
 
Boudin S, Grandin A, Labbe P, Provost J, Raveau B
 
Journal of Solid State Chemistry 127 (1996) 325-330
The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr:
structure and magnetism
_cod_database_code 1001748
_database_code_amcsd 0013913
14.220 6.5138 7.5166 90 90 90 Pnma
atom      x     y     z
Sr1  .21944   .25 .1229
V1    .3821   .75 .1532
V2        0    .5     0
P1    .1892   .75 .1119
P2    .4389   .25 .1450
O1    .3744  .437 .1372
O2    .2648   .75 -.032
O3    .4864   .75 -.005
O4    .2496   .75  .281
O5    .4452   .75  .376
O6   -.0111   .25  .171
O7    .1266 .5607 .1026
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Total number of retrieved datasets: 11
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