American Mineralogist Crystal Structure Database

12 matching records for this search.

K Mo O12 P3 W
 
Benmoussa A, Leclaire A, Grandin A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=45&spage=1277
Acta Crystallographica C45 (1989) 1277-1279
K Mo W P3 O12, a tunnel structure of the K Mo2 P3 O12 - type
_cod_database_code 1001393
_database_code_amcsd 0010080
8.8180 9.1574 12.3836 90 90 90 Pbcm
atom      x      y      z occ
Mo1  .24595 .02674 .10083  .5
W1   .24595 .02674 .10083  .5
K1   -.1788  .1620    .25
P1   -.0299    .25      0
P2    .4042  .3660  .1310
O1    .2071  .0184    .25
O2    .1279 -.1586  .0744
O3   .30128  .0411 -.0620
O4    .3804  .2040  .1204
O5    .4309 -.1031  .1204
O6    .0621  .1536  .0749
O7    .3526  .4138    .25
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K O25 P6 Si2 Ti3
 
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=936
Acta Crystallographica C47 (1991) 936-938
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25
and Cs Ti3 P6 Si2 O25
_cod_database_code 1001857
_database_code_amcsd 0010252
8.2648 8.2648 17.03799 90 90 120 P-31c
atom      x     y      z
K1      1/3   2/3    .25
Ti1     1/3   2/3 .02516
Ti2     2/3   1/3    .25
P1   .38255 .3315 .11022
Si1       0     0 .09281
O1    .1190 .5991  .0953
O2    .8132 .2566  .4576
O3    .4784 .3386  .1865
O4        0     0      0
O5    .0235 .8310  .1264
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Cs O25 P6 Si2 Ti3
 
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=936
Acta Crystallographica C47 (1991) 936-938
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25
and Cs Ti3 P6 Si2 O25
_cod_database_code 1001858
_database_code_amcsd 0010253
8.2145 8.2145 17.24899 90 90 120 P-31c
atom      x     y      z
Cs1     1/3   2/3    .25
Ti1     1/3   2/3 .02293
Ti2     2/3   1/3    .25
P1   .38368 .3311 .10965
Si1       0     0 .09176
O1    .1147 .5926  .0906
O2    .8056 .2473  .4552
O3    .4789 .3420  .1861
O4        0     0      0
O5    .0278 .8322  .1259
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O4 P Ti
 
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 1323-1333
TiPO4, a titanium orthophosphate with a CrVO4 sublattice
_cod_database_code 1001530
_database_code_amcsd 0012546
4.7598 6.3493 17.7599 90 97.39 90 P2_1/m
atom     x     y      z
Ti1  .7441 .4990 .12483
Ti2  .2480 .4944 .37358
P1   .2757   .75 .21272
P2   .7240   .25  .2866
P3   .7742   .75 .46190
P4   .2255   .25  .0380
O1    .663   .25  .2006
O2   .5631   .75  .1849
O3    .941   .25  .0726
O4    .817   .75  .0509
O5   .3861 .4467  .0645
O6   .1158 .5505  .1853
O7   .8869 .4473  .3136
O8   .6138 .5523  .4360
O9    .056   .75  .4297
O10   .175   .25  .4518
O11  .4227   .25  .3203
O12  .3210   .75  .3037
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Cu3 O21 Rb Ta7
 
Benmoussa A, Groult D, Studer F, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 221-226
Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like
Structures: The Oxides A Cu3 M7 O21 (A = K, Rb, Cs, Tl; M = Nb, Ta)
_cod_database_code 1001218
_database_code_amcsd 0013465
28.11 7.503 7.548 90 90 90 Cmmm
atom     x     y    z occ
Rb1      0     0    0
Rb2      0     0   .5
Cu1   .173     0   .5
Cu2   .321     0   .5  .5
Cu3   .318     0    0
Cu4   .183     0    0  .5
Ta1      0    .5 .244
Ta2  .1131 .2477 .255
Ta3    .25   .25 .252
O1    .088     0 .248
O2    .274     0 .220
O3    .366     0 .202
O4    .179  .164 .280
O5    .046  .304 .280
O6    .124  .322   .5
O7    .128  .187    0
O8    .236  .323   .5  .5
O9    .238  .186    0  .5
O10     .5     0   .5
O11     .5     0    0
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O38 P4 W10
 
Benmoussa A, Labbe P, Groult D, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 318-325
Mixed Valence Tungsten Oxides with a Tunnel Structure,
P4W4nO12n+8: A Nonintegral Member P4 W10 O38 (n=2.5)
_cod_database_code 1001234
_database_code_amcsd 0013493
6.5656 5.2850 20.573 90 96.18 90 P2_1
atom      x      y      z
W1    .5392    .25 .10908
W2    .4714  .2585 .38890
W3    .1785  .2575 .53569
W4    .8898  .2587 .68304
W5    .1496  .2471 .96227
P1    .7874  .2596  .2641
P2    .7468  .2300  .8402
O1    .3552  .2311  .0349
O2    .7008  .2347  .1948
O3    .6067  .2413  .3080
O4    .3175  .2302  .4605
O5    .6850  .5154  .0854
O6    .7092  .0214  .0754
O7    .3580  .4722  .1547
O8    .3839  .9578  .1404
O9    .9355  .0437  .2805
O10   .9066  .5097  .2728
O11   .6254  .5303  .4208
O12   .6665  .0403  .4278
O13   .3123 -.0184  .3523
O14   .2600  .4809  .3420
O15   .9812  .4664  .4948
O16   .9565  .2383  .8802
O17   .7794  .2702  .7695
O18   .0332  .2546  .6131
O19  -.0067  .4641  .0041
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Na O7 P2 Ti
 
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B
 
Journal of Solid State Chemistry 77 (1988) 299-305
Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7
closely related to beta-Cristobalite and beta-Na Ti P2 O7
isotypic with Na Fe P2 O7
_cod_database_code 1001384
_database_code_amcsd 0013628
8.697 5.239 13.293 90 116.54 90 P2_1/c
atom      x      y      z
Ti1  .26328  .2371 .02956
P1    .1667  .7550 .14509
P2    .6839  .2771 .11568
Na1   .4473  .2704  .3103
O1    .0180   .257 -.0581
O2    .5218  .2267  .1304
O3    .2531  .0114  .1533
O4    .2947 -.0954 -.0364
O5    .3067  .4436 -.0878
O6    .2729  .5395  .1335
O7    .1610  .7180  .2634
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Na O7 P2 Ti
 
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B
 
Journal of Solid State Chemistry 77 (1988) 299-305
Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7
closely related to beta-Cristobalite and beta-Na Ti P2 O7
isotypic with Na Fe P2 O7
_cod_database_code 1001385
_database_code_amcsd 0013629
7.394 7.936 9.726 90 111.85 90 P2_1/c
atom      x      y      z
Ti1  .26076 .00861 .24891
P1    .0719  .2547  .4556
P2   -.3269  .2127  .4547
Na1   .2841  .4788  .2918
O1    .5355  .0863  .3529
O2    .3063 -.2014  .3849
O3    .1755  .1357  .3917
O4   -.0130 -.0838  .1343
O5    .1854  .2159  .1192
O6    .3685 -.1084  .1024
O7   -.1249  .1566  .4405
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K1.75 O12 P3 Ti2
 
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B
 
Journal of Solid State Chemistry 78 (1989) 227-231
K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence
Nonstoichiometric Titanophosphate with Langbeinite Structure
_cod_database_code 1001395
_database_code_amcsd 0013636
9.8559 9.8559 9.8559 90 90 90 P2_13
atom      x       y      z occ
Ti1  .58721  .58721 .58721
Ti2  .85809  .85809 .85809
K1   .29175  .29175 .29175
K2   .06618  .06618 .06618 .75
P1   .27407 -.37213 .45889
O1   .00066  .07490 .35238
O2   .26636 -.42225 .31360
O3   .47087  .05361 .29809
O4   .20400 -.23500 .47771
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K2 O12 P3 Ti2
 
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B
 
Journal of Solid State Chemistry 78 (1989) 227-231
K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence
Nonstoichiometric Titanophosphate with Langbeinite Structure
_cod_database_code 1001396
_database_code_amcsd 0013637
9.8688 9.8688 9.8688 90 90 90 P2_13
atom      x      y      z
Ti1  .66257 .66257 .66257
Ti2  .39258 .39258 .39258
K1   .95591 .95591 .95591
K2   .18437 .18437 .18437
P1   .47556 .70937 .37811
O1   .60215 .82705 .75011
O2   .45286  .3046 .21980
O3   .48428 .56425 .32696
O4   .54510 .72680 .51655
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Mg3 O24 P6 Ti4
 
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B
 
Journal of Solid State Chemistry 84 (1990) 299-307
A new phosphate of trivalent titanium Mg3Ti4P6O24
_cod_database_code 1001440
_database_code_amcsd 0013672
6.3911 7.9616 9.4299 67.614 69.348 79.327 P-1
atom      x      y      z  occ
Ti1  .97299 .22092 .47552
Ti2  .77344 .03995 .12286 .667
Mg1  .77344 .03995 .12286 .333
Ti3      .5     .5      0 .667
Mg2      .5     .5      0 .333
Mg3  .49665 .68976 .28653
P1   .04248 .64357 .22790
P2   .52306 .27522 .36916
P3   .25010 .08515 .16701
O1   .85261 .31374 .66518
O2   -.0020 .44417 .29391
O3   -.3728 .28525 .49140
O4    .2844  .2240 .46119
O5    .0974 .04202 .34575
O6   .46264 .95653 .16568
O7   .81889 .75637 .22662
O8    .7856 .31067 .94403
O9    .6636 .13884 .29106
O10  .88489 .96158 .91927
O11   .5303 .46389 .23290
O12   .3179 .27954 .08618
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K7.333 O48.667 P12 V10
 
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B
 
Journal of Solid State Chemistry 97 (1992) 314-318
Langbeinite, a host lattice for "V3O" clusters: the trivalent
vanadium phosphate K11V15P18O73
_cod_database_code 1001555
_database_code_amcsd 0013733
9.896 9.896 9.896 90 90 90 P2_13
atom      x      y      z   occ
P1    .4804  .7101  .3753
V1   .66315 .66315 .66315
V2   .39579 .39579 .39579
V3    .4674  .1742  .5895 .1667
K1    .1812  .1812  .1812
K2    .9562  .9562  .9562 .8333
O1    .5993  .8337  .7494
O2    .4552  .3018  .2300
O3    .4905  .5632  .3288
O4    .5599  .7336  .5061
O5    -.016  -.016  -.016 .1667
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Total number of retrieved datasets: 12
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