American Mineralogist Crystal Structure Database

54 matching records for this search.

Microcline
Download hom/microcline.pdf
Blasi A, De Pol Blasi C, Zanazzi P F
Download cm/vol25/CM25_527.pdf
The Canadian Mineralogist 25 (1987) 527-537
A re-examination of the Pellotsalo microcline: Mineralogical implications and
genetic considerations
_database_code_amcsd 0005216
8.5714 12.9646 7.2217 90.6 115.9 87.7 C-1
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .2826 .9928 .1367 .95  .0145  .0228  .0236  .0005  .0070  .0000
Na   .2826 .9928 .1367 .05  .0145  .0228  .0236  .0005  .0070  .0000
Al     .01 .1877  .217      .0092  .0077  .0077 -.0019  .0040  .0008
Si1  .0098 .8196 .2323      .0092  .0078  .0066  .0007  .0045  .0007
Si2  .7111 .1204 .3401      .0084  .0056  .0083 -.0011  .0042  .0008
Si3  .7057 .8856 .3505      .0077  .0066  .0086 -.0002  .0040  .0009
O1   .0007 .1448 .9829      .0180  .0134  .0085 -.0008  .0070  .0022
O2   .6365 .0055 .2857      .0106  .0058  .0131  .0006  .0036  .0008
O3   .8212 .1477 .2199      .0139  .0190  .0187 -.0048  .0105  .0002
O4   .8319 .8573 .2401      .0147  .0203  .0179  .0045  .0110  .0017
O5   .0353 .3200 .2511      .0110  .0105  .0145 -.0034  .0051  .0000
O6   .0381 .6955 .2702      .0122  .0098  .0140  .0018  .0079  .0023
O7   .1903 .1229 .4055      .0162  .0134  .0093  .0019  .0032  .0031
O8   .1754 .8745 .4118      .0157  .0157  .0093 -.0047  .0015  .0008
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Zavaliaite
 
Hatert F, Roda-Robles E, de Parseval P, Wouters J
 
The Canadian Mineralogist 50 (2012) 1445-1452
Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from
La Empleada pegmatite, San Luis Province, Argentina
Locality: La Empleada pegmatite, San Luis Province, Argentina
_database_code_amcsd 0019769
6.088 4.814 10.484 90 89.42 90 P2_1/c
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe2+M1    .5      0     .5 .85 .0095  .0124  .0071  .0091  .0005 -.0021  .0001
MgM1      .5      0     .5 .15 .0095  .0124  .0071  .0091  .0005 -.0021  .0001
Mn2+M2 .2641  .0129 .78228 .83 .0096  .0102  .0105  .0083  .0001 -.0002 -.0005
MgM2   .2641  .0129 .78228 .17 .0096  .0102  .0105  .0083  .0001 -.0002 -.0005
P      .2389 -.4317  .5996     .0080  .0091  .0068  .0080  .0004 -.0012 -.0004
O1     .2183  .2519  .6044     .0108   .013   .009   .011  -.000  -.001  -.001
O2     .2468 -.3174  .4630     .0117   .016   .013   .006   .000  -.001  -.001
O3     .0325 -.2822  .6604     .0104   .012   .008   .012   .000   .003  -.001
O4     .5699  .3262  .3193     .0122   .012   .012   .012   .000  -.004  -.004
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Crocoite
Download hom/crocoite.pdf
Quareni S, De Pieri R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=19&spage=287
Acta Crystallographica 19 (1965) 287-289
A three-dimensional refinement of the structure of crocoite, PbCrO4
_database_code_amcsd 0009297
7.120 7.430 6.790 90 102.42 90 P2_1/n
atom     x     y     z
Pb   .2218 .1450 .3974
Cr   .2010 .1651 .8800
O1   .0354 .0989 .6944
O2   .1247 .3461 .9869
O3   .2534 .4982 .4540
O4   .3887 .2173 .7810
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Cs2NaAl3F12
 
Courbion G, Jacoboni C, de Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=3190
Acta Crystallographica B32 (1976) 3190-3193
Structure cristalline de Cs2NaAl3F12
_cod_database_code 1000492
_database_code_amcsd 0009579
7.310 7.310 7.310 57.45 57.45 57.45 R-3m
atom      x      y      z
Cs1  .37877 .37877 .37877
Na1       0      0      0
Al1      .5      0      0
F1    .2968  .2968 -.0768
F2   -.0847 -.0847  .3828
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Hyalophane
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De Pieri R, Quareni S, Hall K M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=3073
Acta Crystallographica B33 (1977) 3073-3076
Refinement of the structures of low and high hyalophanes
Sample: Low hyalophane
_database_code_amcsd 0009608
8.557 13.040 7.200 90 115.69 90 C2/m
atom      x      y      z  occ
K    .28257      0 .13252  .43
Ba   .28257      0 .13252  .39
Na   .28257      0 .13252  .17
Ca   .28257      0 .13252  .01
Si1   .0085 .18319  .2243 .645
Al1   .0085 .18319  .2243 .355
Si2   .7044 .11784  .3453 .645
Al2   .7044 .11784  .3453 .355
O1a       0  .1431      0
O1b   .6265      0  .2854
O2    .8255  .1406  .2253
O3    .0296  .3103  .2570
O4    .1847  .1261  .4020
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Hyalophane
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De Pieri R, Quareni S, Hall K M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=3073
Acta Crystallographica B33 (1977) 3073-3076
Refinement of the structures of low and high hyalophanes
Sample: High hyalophane
_database_code_amcsd 0009609
8.556 13.045 7.189 90 115.63 90 C2/m
atom      x      y      z  occ
K    .28321      0  .1327  .43
Ba   .28321      0  .1327  .39
Na   .28321      0  .1327  .17
Ca   .28321      0  .1327  .01
Si1   .0088 .18313  .2244 .645
Al1   .0088 .18313  .2244 .355
Si2   .7059 .11771  .3458 .645
Al2   .7059 .11771  .3458 .355
O1a       0  .1424      0
O1b   .6278      0  .2879
O2    .8275  .1412  .2250
O3    .0305  .3099  .2559
O4    .1833  .1258  .4022
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Microcline
Download hom/microcline.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample P17C
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020534
8.567 12.980 7.200 90.07 116.03 89.75 C-1
atom      x      y     z  occ
K1   .28447 .99911 .1379 .871
Na1  .28447 .99911 .1379  .12
Rb1  .28447 .99911 .1379 .008
Al1  .00955 .18492 .2234 .445
Si1  .00955 .18492 .2234 .555
Al2  .00949 .81582 .2251  .33
Si2  .00949 .81582 .2251  .67
Al3  .70929 .11813 .3440 .085
Si3  .70929 .11813 .3440 .915
Al4  .70851 .88251 .3449  .08
Si4  .70851 .88251 .3449  .92
O1    .0004  .1455 .9979
O2    .6372  .0005 .2853
O3    .8263  .1465 .2266
O4    .8276  .8541 .2293
O5    .0353  .3122 .2582
O6    .0357  .6893 .2604
O7    .1824  .1257 .4067
O8    .1800  .8741 .4070
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Microcline
Download hom/microcline.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample A1D
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020535
8.564 12.984 7.201 90.13 116.02 89.53 C-1
atom      x      y      z  occ
K1   .28420 .99866 .13764 .904
Na1  .28420 .99866 .13764 .085
Ca1  .28420 .99866 .13764 .005
Ba1  .28420 .99866 .13764 .006
Al1  .00951 .18514 .22282 .485
Si1  .00951 .18514 .22282 .515
Al2  .00938 .81611 .22545 .305
Si2  .00938 .81611 .22545 .695
Al3  .70914 .11820 .34362  .09
Si3  .70914 .11820 .34362  .91
Al4  .70810 .88282 .34530  .07
Si4  .70810 .88282 .34530  .93
O1    .0004  .1454  .9969
O2    .6363  .0010  .2851
O3    .8258  .1463  .2261
O4    .8276  .8546  .2299
O5    .0351  .3126  .2574
O6    .0353  .6901  .2605
O7    .1827  .1255  .4067
O8    .1799  .8741  .4074
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Microcline
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Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample CA1B
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020536
8.560 12.984 7.209 90.28 116.03 89.03 C-1
atom     x     y     z  occ
K1   .2837 .9967 .1375  .94
Na1  .2837 .9967 .1357  .06
Al1  .0099 .1858 .2214  .63
Si1  .0099 .1858 .2214  .37
Al2  .0094 .8173 .2277  .24
Si2  .0094 .8173 .2277  .76
Al3  .7094 .1189 .3425 .065
Si3  .7094 .1189 .3425 .935
Al4  .7070 .8836 .3470 .055
Si4  .7070 .8836 .3470 .945
O1   .0003 .1448 .9926
O2   .6356 .0024 .2853
O3   .8239 .1465 .2238
O4   .8281 .8555 .2329
O5   .0345 .3150 .2562
O6   .0358 .6916 .2636
O7   .1857 .1248 .4062
O8   .1794 .8741 .4090
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Microcline
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Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample P1C
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020537
8.574 12.962 7.210 90.35 116.03 88.8 C-1
atom     x     y     z  occ
K1   .2837 .9960 .1372  .94
Na1  .2837 .9960 .1372  .06
Al1  .0097 .1865 .2205  .68
Si1  .0097 .1865 .2205  .32
Al2  .0094 .8176 .2286  .15
Si2  .0094 .8176 .2286  .85
Al3  .7105 .1192 .3421 .065
Si3  .7105 .1192 .3421 .935
Al4  .7073 .8840 .3480 .055
Si4  .7073 .8840 .3480 .945
O1   .0007 .1451 .9901
O2   .6368 .0039 .2849
O3   .8237 .1480 .2224
O4   .8290 .8562 .2348
O5   .0353 .3163 .2549
O6   .0371 .6930 .2646
O7   .1860 .1248 .4053
O8   .1768 .8740 .4084
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Microcline
Download hom/microcline.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample RC20C
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020538
8.567 12.970 7.221 90.43 116. 88.48 C-1
atom     x     y     z  occ
K1   .2830 .9950 .1372  .92
Na1  .2830 .9950 .1372  .08
Al1  .0098 .1865 .2193   .8
Si1  .0098 .1865 .2193   .2
Al2  .0095 .8184 .2298  .14
Si2  .0095 .8184 .2298  .86
Al3  .7101 .1195 .3415 .025
Si3  .7101 .1195 .3415 .975
Al4  .7065 .8845 .3484 .025
Si4  .7065 .8845 .3484 .975
O1       0 .1444 .9875
O2   .6356 .0037 .2856
O3   .8223 .1469 .2225
O4   .8296 .8562 .2362
O5   .0349 .3173 .2544
O6   .0372 .6934 .2667
O7   .1875 .1238 .4059
O8   .1775 .8741 .4108
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Microcline
Download hom/microcline.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample CA1E
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020539
8.561 12.972 7.223 90.56 115.93 87.92 C-1
atom      x      y      z occ
K1   .28232 .99328 .13640 .94
Na1  .28232 .99328 .13640 .06
Al1  .01002 .18710 .21754  .9
Si1  .01002 .18710 .21754  .1
Al2  .00959 .81950 .23165 .05
Si2  .00959 .81950 .23165 .95
Al3  .71020 .11998 .34043 .03
Si3  .71020 .11998 .34043 .97
Al4  .70518 .88532 .35005 .03
Si4  .70518 .88532 .35005 .97
O1    .0004  .1445  .9839
O2    .6345  .0050  .2862
O3    .8209  .1467  .2202
O4    .8308  .8575  .2396
O5    .0341  .3188  .2523
O6    .0371  .6953  .2690
O7    .1900  .1234  .4050
O8    .1763  .8745  .4113
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Orthoclase
Download hom/orthoclase.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample P2B
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020550
8.589 13.013 7.197 90 116.02 90 C-1
atom     x     y     z occ
K1   .2850 .9998 .1378 .94
Na1  .2850 .9998 .1378 .06
Al1  .0097 .1850 .2237 .37
Si1  .0097 .1850 .2237 .63
Al2  .0095 .8151 .2241 .35
Si2  .0095 .8151 .2241 .65
Al3  .7093 .1179 .3442 .15
Si3  .7093 .1179 .3442 .85
Al4  .7092 .8822 .3446 .14
Si4  .7092 .8822 .3446 .86
O1   .9997 .1459 .9998
O2   .6373 .0002 .2852
O3   .8275 .1471 .2270
O4   .8277 .8534 .2275
O5   .0357 .3115 .2582
O6   .0352 .6892 .2590
O7   .1812 .1260 .4054
O8   .1804 .8738 .4057
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Orthoclase
Download hom/orthoclase.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample P2A
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020551
8.583 12.988 7.202 90 116.05 90 C-1
atom     x     y     z  occ
K1   .2851 .9996 .1380 .931
Na1  .2851 .9996 .1380 .055
Ca1  .2851 .9996 .1380 .009
Ba1  .2851 .9996 .1380 .005
Al1  .0095 .1852 .2236 .415
Si1  .0095 .1852 .2236 .585
Al2  .0096 .8152 .2247 .335
Si2  .0096 .8152 .2247 .665
Al3  .7096 .1181 .3442  .11
Si3  .7096 .1181 .3442  .89
Al4  .7093 .8823 .3447  .11
Si4  .7093 .8823 .3447  .89
O1   .9996 .1458 .9983
O2   .6382 .0003 .2854
O3   .8267 .1469 .2270
O4   .8276 .8533 .2276
O5   .0357 .3119 .2579
O6   .0354 .6888 .2597
O7   .1810 .1260 .4062
O8   .1801 .8738 .4066
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Orthoclase
Download hom/orthoclase.pdf
Dal Negro A, De Pieri R, Quareni S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=2699
Acta Crystallographica B34 (1978) 2699-2707
The crystal structures of nine K feldspars from the Adamello
Massif (Northern Italy)
Note: Sample CA1A
Locality: Adamello Massif, Northern Italy
_database_code_amcsd 0020552
8.563 12.990 7.210 90 115.93 90 C-1
atom     x     y     z  occ
K1   .2840 .9993 .1375  .88
Na1  .2840 .9993 .1375   .1
Ca1  .2840 .9993 .1375  .01
Ba1  .2840 .9993 .1375  .01
Al1  .0096 .1846 .2235  .47
Si1  .0096 .1846 .2235  .53
Al2  .0095 .8160 .2252 .365
Si2  .0095 .8160 .2252 .635
Al3  .7087 .1180 .3441 .085
Si3  .7087 .1180 .3441 .915
Al4  .7082 .8826 .3451 .085
Si4  .7082 .8826 .3451 .915
O1   .9999 .1452 .9981
O2   .6355 .0006 .2855
O3   .8261 .1457 .2271
O4   .8268 .8544 .2290
O5   .0353 .3123 .2582
O6   .0353 .6893 .2601
O7   .1826 .1255 .4065
O8   .1809 .8742 .4074
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RbAlF4
 
Fourquet J, Plet F, de Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=1997
Acta Crystallographica B36 (1980) 1997-2000
RbAlF4: Structure of Its beta Metastable Form and Description of
the Mechanism of Its Irreversible and Topotactic Phase Transition
beta to alpha
_cod_database_code 1000175
_database_code_amcsd 0009714
11.666 11.666 12.551 90 90 90 I-4c2
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb1       0      0    .25  .0158  .0158  .0241  .0061      0      0
Rb2   .3415  .8404  .6881  .0320  .0174  .0226 -.0059  .0104  .0027
Al1      .5      0      0  .0063  .0063  .0106 -.0013      0      0
Al2   .7926  .0763  .0007  .0059  .0061  .0116  .0004  .0045  .0059
F1    .3445  .0011  .0015  .0082  .0119  .0285 -.0022  .0083  .0110
F2    .1419  .0667  .0012  .0108  .0075  .0398  .0025 -.0066  .0062
F3    .0777  .2061  .1385  .0351  .0181  .0233 -.0019  .0010 -.0062
F4   -.0801 -.2111 -.1400  .0198  .0178  .0024 -.0041 -.0014  .0048
F5    .2184 -.2816     .5  .0099  .0099  .0281  .0006  .0019 -.0019
F6        0     .5  .1379  .0081  .0401  .0096 -.0103      0      0
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Na2Ba3Cr4F20
 
Abjean P, Leblanc M, De P, Ferey G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=1696
Acta Crystallographica C41 (1985) 1696-1698
Structure of Na2Ba3Cr4F20
_cod_database_code 1000338
_database_code_amcsd 0010017
7.262 20.668 5.431 90 90.76 90 P2_1/n
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .7736 .4094 -.0139  .0239  .0183  .0285  .0046 -.0095  .0008
Ba1      0     0      0  .0150  .0115  .0162 -.0038  .0009 -.0001
Ba2  .4947 .2769 -.4763  .0082  .0108  .0151  .0005  .0018  .0004
Cr1  .4675 .1386 -.0270  .0053  .0117  .0086 -.0005  .0007  .0000
Cr2  .2879 .3965 -.0192  .0072  .0086  .0088 -.0008  .0014  .0000
F1   .2957 .1791 -.2407  .0099  .0180  .0181 -.0006  .0003  .0006
F2   .3072 .0677  .0009  .0134  .0144  .0345 -.0050  .0043 -.0011
F3   .2730 .3065 -.0498  .0217  .0129  .0234  .0007   .006 -.0012
F4   .1447 .4066 -.3199  .0196  .0212  .0166 -.0021 -.0061  .0004
F5   .3116 .4870 -.0014  .0190  .0120  .0298  .0013  .0013  .0007
F6   .4998 .3929 -.2168  .0058  .0178  .0186 -.0033  .0023  .0006
F7   .6260 .2103 -.0621  .0111  .0185  .0235 -.0048 -.0021  .0029
F8   .5674 .0991 -.3246  .0076  .0235  .0144 -.0026  .0047 -.0033
F9   .8566 .3220 -.2550  .0169  .0182  .0133  .0011  .0059  .0043
F10  .9351 .1112 -.2352  .0144  .0221  .0131 -.0016 -.0057  .0011
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TlV3O8
 
Benchrifa R, Leblanc M, De Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=177
Acta Crystallographica C46 (1990) 177-179
Structure of the trivanadate TlV3O8
_database_code_amcsd 0010092
7.780 8.423 4.993 90 96.48 90 P2_1/m
atom      x     y      z Biso
Tl1  .05573 .2500 .94825 2.32
V1    .5755 .2500  .9174  .65
V2    .6870 .0540  .4375  .68
O1    .4305 .2500  .1207  1.3
O2    .7598 .2500  .5915  .77
O3    .5056 .0863  .6874  .85
O4    .1664 .0664  .4340 1.43
O5    .7377 .0996  .1146  .84
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Na3Li3Ti2F12
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3Li3M2F12
Note: garnet structure
_cod_database_code 1000209
_database_code_amcsd 0012265
12.498 12.498 12.498 90 90 90 Ia3d
atom     x    y   z
Ti1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F12 Li3 Na3 V2
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008312
_database_code_amcsd 0016227
12.409 12.409 12.409 90 90 90 Ia3d
atom     x    y   z
V1       0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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Cr2 F12 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008313
_database_code_amcsd 0016228
12.328 12.328 12.328 90 90 90 Ia3d
atom     x    y   z
Cr1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F12 Fe2 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008314
_database_code_amcsd 0016229
12.393 12.393 12.393 90 90 90 Ia3d
atom     x    y   z
Fe1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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Co2 F12 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008315
_database_code_amcsd 0016230
12.326 12.326 12.326 90 90 90 Ia3d
atom     x    y   z
Co1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F6 Fe2 Li
 
Portier J, Tressaud A, de Pape R, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 267 (1968) 1711-1713
Etude cristallographique et magnetique d'un fluorure inedit de type trirutile
_cod_database_code 1000178
_database_code_amcsd 0012276
4.673 4.673 9.29 90 90 90 P4_2/mnm
atom    x    y     z occ
Li1     0    0     0
Fe1     0    0 .3333  .5
Fe2     0    0 .3333  .5
F1   .305 .305     0
F2   .305 .305  .333
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Li3Na3Sc2F12
 
de Pape R, Portier J, Grannec J, Gauthier G, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1120-1121
Sur quelques nouveaux grenats fluores
Note: garnet structure
_cod_database_code 1000176
_database_code_amcsd 0012280
12.607 12.607 12.607 90 90 90 Ia3d
atom      x     y     z
Sc1       0     0     0
Na1     .25  .125     0
Li1     .25  .375     0
F1   -.0343 .0499 .1407
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Li3Na3In2F12
 
de Pape R, Portier J, Grannec J, Gauthier G, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1120-1121
Sur quelques nouveaux grenats fluores
Note: garnet structure
_cod_database_code 1000177
_database_code_amcsd 0012281
12.693 12.693 12.693 90 90 90 Ia3d
atom      x     y     z
In1       0     0     0
Na1     .25  .125     0
Li1     .25  .375     0
F1   -.0349 .0507 .1422
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TlNb2O5F
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallohraphique dans le cas du thallium
_cod_database_code 1000169
_database_code_amcsd 0012287
10.506 10.506 10.506 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .413 .413 .413   .25
Nb1     0    0    0
O1   .322 .125 .125 .8333
F1   .322 .125 .125 .1667
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F2 Nb O4 Ti Tl
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000170
_database_code_amcsd 0012288
10.365 10.365 10.365 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .410 .410 .410   .25
Ti1     0    0    0    .5
Nb1     0    0    0    .5
O1   .315 .125 .125 .6667
F1   .315 .125 .125 .3333
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F O5 Ti Tl W
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000171
_database_code_amcsd 0012289
10.241 10.241 10.241 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .405 .405 .405   .25
Ti1     0    0    0    .5
W1      0    0    0    .5
O1   .320 .125 .125 .8333
F1   .320 .125 .125 .1667
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F Nb2 O5 Rb
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000172
_database_code_amcsd 0012290
10.492 10.492 10.492 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Rb1  .352 .352 .352   .25
Nb1     0    0    0
O1   .326 .125 .125 .8333
F1   .326 .125 .125 .1667
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Cs F Nb2 O5
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000173
_database_code_amcsd 0012291
10.525 10.525 10.525 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Cs1  .385 .385 .385   .25
Nb1     0    0    0
O1   .318 .125 .125 .8333
F1   .318 .125 .125 .1667
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F6 Fe2 H4 N
 
Ferey G, le Blanc M, de Pape R
 
Journal of Solid State Chemistry 40 (1981) 1-7
Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6
Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration
Product Fe2 F5 H2 O
_cod_database_code 1000174
_database_code_amcsd 0013420
7.045 7.454 10.116 90 90 90 Pnma
atom      x     y     z
N1    .0028   .25 .6208
Fe1       0     0     0
Fe2   .2043   .25 .2681
F1   -.0627   .25 .3398
F2    .0633   .25 .9671
F3    .1267 .4901 .1668
F4    .7655 .4368 .0825
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000184
_database_code_amcsd 0013495
8.684 8.684 4.657 90 90 120 P321
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1      0     0     0
Li2    1/3   2/3 .5055
Mn1  .3545     0     0  .0074  .0083  .0068  .0041  .0002  .0004
Fe1  .6875     0    .5  .0061  .0056  .0067  .0028  .0001  .0002
F1   .5311 .4235 .2709  .0093  .0115  .0110  .0050  .0035  .0041
F2   .2214 .4374 .2769  .0115  .0098  .0112  .0060 -.0039 -.0005
F3   .2215 .1130 .2435  .0111  .0100  .0106  .0055 -.0013 -.0041
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000185
_database_code_amcsd 0013496
8.723 8.723 4.745 90 90 120 P321
atom    x    y    z
Fe1     0    0    0
Fe2   1/3  2/3 .493
Mn1  .360    0    0
Li1   .69    0   .5
F1   .537 .418 .273
F2   .223 .458 .280
F3   .227 .099 .238
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000186
_database_code_amcsd 0013497
8.723 8.723 4.745 90 90 120 P321
atom    x    y    z
Fe1     0    0    0
Fe2   1/3  2/3 .506
Mn1  .352    0    0
Li1  .714    0   .5
F1   .541 .420 .268
F2   .226 .462 .270
F3   .221 .098 .226
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F3 Fe H0.66 O0.33
 
Leblanc M, Ferey G, Chevalier P, Calage Y, de Pape R
 
Journal of Solid State Chemistry 47 (1983) 53-58
Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H2O)0.33FeF3;
Crystal Structure, Magnetic Properties, Dehydration to a New Form of
Iron Trifluoride
_cod_database_code 1000187
_database_code_amcsd 0013503
7.423 12.730 7.526 90 90 90 Cmcm
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      0     .5     0  .0084  .0065  .0066      0      0 -.0001
Fe2    .25    .25     0  .0061  .0088  .0073  .0010  .0002 -.0001
F1       0  .2156 .5511  .0072  .0244  .0176      0      0  .0017
F2   .1876  .3962 .0434  .0193  .0124  .0199  .0062 -.0025 -.0009
F3       0  .5286   .25   .023  .0133  .0066      0      0      0
F4   .2101  .2176   .25  .0179  .0201  .0078 -.0002      0      0
O1       0 -.0006   .25  .0519  .0410  .0721      0      0      0
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Cr5 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000461
_database_code_amcsd 0013511
7.2 7.2 10.679 90 90 120 P-3m1
atom      x       y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22765      .0328  .0328  .0574  .0164      0      0
Cs2     1/3     2/3 .37306      .0578  .0578  .0212  .0289      0      0
Cr1     1/3     2/3 .71642      .0170  .0170  .0118  .0085      0      0
Cr2      .5       0      0      .0162  .0100  .0164  .0050 -.0005 -.0009
F1   .20391 -.20391 .03982      .0302  .0302  .0442  .0047  .0074 -.0074
F2   .54121 -.54121 .17326      .0445  .0445  .0214  .0359 -.0008  .0008
F3   .79060 -.79060 .37818      .0568  .0568  .0268  .0457 -.0029  .0029
F4        0       0     .5 .24
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Co Cr4 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000462
_database_code_amcsd 0013512
7.203 7.203 10.761 90 90 120 P-3m1
atom      x       y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22510       .0415  .0415  .0741  .0208      0      0
Cs2     1/3     2/3 .37383       .0690  .0690  .0256  .0345      0      0
Cr1     1/3     2/3 .71764       .0157  .0157  .0114  .0078      0      0
Cr2      .5       0      0 .667  .0104  .0075  .0167  .0037 -.0021 -.0010
Co1      .5       0      0 .333  .0104  .0075  .0167  .0037 -.0021 -.0010
F1   .20494 -.20494 .03863       .0185  .0185  .0332  .0048  .0043 -.0043
F2   .54091 -.54091 .17336       .0337  .0337  .0221  .0272 -.0009  .0009
F3   .79331 -.79331 .37813       .0466  .0466  .0303  .0329  .0005 -.0005
F4        0       0     .5  .24
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F8 Fe3 H4 O2
 
Leblanc M, Ferey G, Calage Y, De Pape R
 
Journal of Solid State Chemistry 53 (1984) 360-368
Idle spin behavior of the shifted hexagonal tungsten bronze type
compounds Fe Fe2 F8 (H2O)2 and Mn Fe2 F8 (H2O)2
_cod_database_code 1000193
_database_code_amcsd 0013528
7.609 7.514 7.453 90 118.21 90 C2/m
atom     x     y     z
Fe1      0    .5     0
Fe2    .25   .25    .5
Wat  .2423     0 .0435
F1       0 .2925    .5
F2   .1845     0 .4411
F3   .1277 .2952 .2138
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AlF3
 
LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 77 (1988) 96-101
Crystal structure of the metastable form of aluminium trifluoride
beta-AlF3 and the gallium and indium homologs
_cod_database_code 1000238
_database_code_amcsd 0013625
6.931 12.002 7.134 90 90 90 Cmcm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1      0    .5     0  .0055  .0042  .0043      0      0 -.0002
Al2    .25   .25     0  .0040  .0057   .004  .0008 -.0005 -.0003
F1       0 .2125 .5257  .0040  .0107  .0112      0      0  .0010
F2   .3161 .1054 .9800  .0083  .0061  .0141  .0023 -.0012 -.0004
F3       0 .5177   .25  .0155  .0128  .0049      0      0      0
F4   .2297 .2352   .25  .0133  .0141  .0040 -.0002      0      0
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F3 Ga H0.07 O0.07
 
LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 77 (1988) 96-101
Crystal structure of the metastable form of aluminium trifluoride
beta-Al F3 and the gallium and indium homologs
_cod_database_code 1000475
_database_code_amcsd 0013626
7.210 12.398 7.333 90 90 90 Cmcm
atom    x     y    z occ
Ga1     0    .5    0
Ga2   .25   .25    0
F1      0  .210 .539
F2   .320 .1067 .961
F3      0  .533  .25
F4   .216  .222  .25
O1      0   .06  .25 .22
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Na0.11FeF3
 
de Pape R, Tressaud A, Portier J
 
Materials Research Bulletin 3 (1968) 753-758
Sur de nouvelles series de bronzes fluores de composition MxFeF3 (M=Na,Rb,Tl)
_cod_database_code 1000179
_database_code_amcsd 0014216
5.372 5.372 5.372 58.85 58.85 58.85 R-3c
atom     x    y   z occ
Na1    .25  .25 .25 .11
Fe1      0    0   0
F1   -.175 .675 .25
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F Nb2 O5 Rb
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m
_cod_database_code 1000493
_database_code_amcsd 0014229
10.492 10.492 10.492 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Rb1  .352 .352 .352  .125
Rb2  .398 .398 .398  .125
Nb1     0    0    0
O1   .326 .125 .125 .8333
F1   .326 .125 .125 .1667
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F Nb2 O5 Tl
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
_cod_database_code 1000494
_database_code_amcsd 0014230
10.506 10.506 10.506 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .413 .413 .413   .25
Nb1     0    0    0
O1   .322 .125 .125 .8333
F1   .322 .125 .125 .1667
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Cs F Nb2 O5
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
_cod_database_code 1000495
_database_code_amcsd 0014231
10.525 10.525 10.525 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Cs1  .365 .365 .365  .125
Cs2  .385 .385 .385  .125
Nb1     0    0    0
O1   .318 .125 .125 .8333
F1   .318 .125 .125 .1667
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Co Cr F6 Rb
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m
_cod_database_code 1000499
_database_code_amcsd 0014232
10.277 10.277 10.277 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z  occ
Rb1  .352 .352 .352 .125
Rb2  .398 .398 .398 .125
Co1     0    0    0   .5
Cr1     0    0    0   .5
F1   .312 .125 .125
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FeF3
 
De Pape R, Ferey G
 
Materials Research Bulletin 21 (1986) 971-978
A new form of FeF3 with the pyrochlore structure: Soft chemistry,
crystal structure, thermal transitions and structural correlations with
the other forms of FeF3
_cod_database_code 1000228
_database_code_amcsd 0014319
10.325 10.325 10.325 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z
Fe1      0    0    0
F1   .3104 .125 .125
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Al F4 H4 N
 
Fourquet J, Plet F, Courbion G, Bulou A, de Pape R
 
Revue de Chimie Minerale 16 (1979) 490-500
Etude de la filiation structurale des phases M(I)AlF4
(M(I) = K, Rb, Tl, N H4, Cs)
_cod_database_code 1000199
_database_code_amcsd 0015388
5.078 5.078 12.715 90 90 90 I-4c2
atom     x     y     z
N1       0    .5   .25
Al1      0     0     0
F1       0     0 .1386
F2   .2097 .7097     0
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RbAlF4
 
Fourquet J, Plet F, Courbion G, Bulou A, de Pape R
 
Revue de Chimie Minerale 16 (1979) 490-500
Etude de la filiation structurale des phases M(I)AlF4 (M(I) = K,Rb,Tl,NH4,Cs)
_cod_database_code 1000496
_database_code_amcsd 0015389
5.125 5.125 6.283 90 90 90 P4/mbm
atom    x    y    z
Rb1     0   .5   .5
Al1     0    0    0
F1   .237 .737    0
F2      0    0 .273
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Al F5 H2 O Rb2
 
Fourquet J, Plet F, de Pape R
 
Revue de Chimie Minerale 18 (1981) 19-26
La structure cristalline de Rb2 Al F5, H2 O. Retour critique sur
le type structural Tl2 Al F5
_cod_database_code 1000200
_database_code_amcsd 0015391
9.604 8.379 7.542 90 90 90 Cmcm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb1  .2835 .2195   .25  .0247  .0194  .0157 -.0067      0      0
Al1      0     0     0  .0126  .0095  .0061      0      0 -.0009
F1   .1846     0     0  .0142  .0242  .0166      0      0 -.0034
F2       0 .2138 .0090  .0308  .0113  .0172      0      0  .0024
F3       0 .9906   .25  .0292  .0218  .0066      0      0      0
O1       0 .4567   .25  .0337  .0237  .0368      0      0      0
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H Nb O3
 
Fourquet J, Renou M, De Pape R
 
Revue de Chimie Minerale 21 (1984) 383-390
La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide
_cod_database_code 1000401
_database_code_amcsd 0015397
7.645 7.645 7.645 90 90 90 Im3
atom   x    y    z occ
Nb1  .25  .25  .25
O1     0 .189 .289
H1     0 .060 .304 .17
H2     0 .196  .44 .17
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F3 Fe
 
Leblanc M, Pannetier J, Ferey G, de Pape R
 
Revue de Chimie Minerale 22 (1985) 107-114
Single crystal refinement of the structure of rhombohedral Fe F3
_cod_database_code 1000476
_database_code_amcsd 0015398
5.362 5.362 5.362 57.94 57.94 57.94 R-3c
atom      x     y   z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1       0     0   0  .0056  .0056  .0056 -.0020  -.002  -.002
F1   -.1607 .6607 .25  .0112  .0112  .0112 -.0079 -.0029 -.0029
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H Nb O3
 
Fourquet J, Renou M, de P, Theveneau H, Man P, Lucas O, Pannetier J
 
Solid State Ionics 9 (1983) 1011-1013
H Nb O3, structure and NMR study
_cod_database_code 1000189
_database_code_amcsd 0015505
7.645 7.645 7.645 90 90 90 Im3
atom   x    y    z
Nb1  .25  .25  .25
O1     0 .203 .303
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H Nb O3
 
Fourquet J, Renou M, De P, Theveneau H, Man P, Lucs O, Pannetier J
 
Solid State Ionics 9 (1983) 1011-1013
H Nb O3, structure and NMR study
_cod_database_code 1000190
_database_code_amcsd 0015506
7.645 7.645 7.645 90 90 90 Im3
atom   x    y    z   occ
Nb1  .25  .25  .25
O1     0 .189 .289
H1     0 .060 .304 .1667
H2     0 .196  .44 .1667
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