|
Rb2Ge4O9 |
| |
Goreaud M, Raveau B |
 |
Acta Crystallographica B32 (1976) 1536-1540 |
|
Structure cristalline de Rb2Ge4O9 et Rb2TiGe3O9 de type tetragermanate |
|
et etude structurale comparee de germanates en anneaux |
|
_cod_database_code 1001001 |
|
_database_code_amcsd 0009562 |
|
12.08 12.08 9.86 90 90 120 P-3c1 |
|
atom x y z |
|
Rb1 .0040 .3387 .4303 |
|
Ge1 0 0 0 |
|
Ge2 1/3 .6666 .4705 |
|
Ge3 0 .1755 .75 |
|
Ge4 .1500 .4824 .7201 |
|
O1 0 .4773 .75 |
|
O2 .0724 .1480 .8821 |
|
O3 .1190 .3260 .6780 |
|
O4 .2496 .5199 .8584 |
|
O5 .1832 .5784 .5774 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rb2TiGe3O9 |
| |
Goreaud M, Raveau B |
|
Acta Crystallographica B32 (1976) 1536-1540 |
|
Structure cristalline de Rb2Ge4O9 et Rb2TiGe3O9 de type tetragermanate |
|
et etude structurale comparee de germanates en anneaux |
|
_cod_database_code 1001002 |
|
_database_code_amcsd 0009563 |
|
12.19 12.19 10.14 90 90 120 P-3c1 |
|
atom x y z |
|
Rb1 .0015 .3353 .4300 |
|
Ti1 0 0 0 |
|
Ti2 1/3 .6666 .4733 |
|
Ge1 0 .1790 .75 |
|
Ge2 .1481 .4802 .7235 |
|
O1 0 .4562 .75 |
|
O2 .0692 .1518 .8822 |
|
O3 .1134 .3233 .6725 |
|
O4 .2468 .5161 .8637 |
|
O5 .1881 .5731 .5823 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
|
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001007 |
|
_database_code_amcsd 0009592 |
|
8.753 8.753 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .5964 0 .4989 |
|
Nb1 .2463 0 0 |
|
O1 .8179 0 -.0076 |
|
O2 .2606 0 .4930 |
|
O3 .5030 .1854 -.0169 |
|
B1 1/3 2/3 -.0188 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
|
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001008 |
|
_database_code_amcsd 0009593 |
|
34.01 34.01 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .1489 0 .4596 |
|
K2 .3983 0 .4585 |
|
K3 .6490 0 .4493 |
|
K4 .8996 0 .4687 |
|
K5 .1482 .2480 .4583 |
|
K6 .1492 .5 .4641 |
|
K7 .1502 .7523 .4543 |
|
K8 .1013 .3500 .4523 |
|
K9 .1003 .6009 .4583 |
|
K10 .3523 .6007 .4723 |
|
Nb1 .0617 0 0 |
|
Nb2 .3110 0 -.0738 |
|
Nb3 .5612 0 -.0664 |
|
Nb4 .8126 0 -.0140 |
|
Nb5 .0609 .2498 -.0648 |
|
Nb6 .0611 .4990 -.0277 |
|
Nb7 .0622 .7508 -.0733 |
|
Nb8 .1873 .4381 -.0676 |
|
Nb9 .1888 .6883 -.0204 |
|
Nb10 .4389 .6888 .0071 |
|
O1 .2053 0 -.0004 |
|
O2 .4537 0 -.0409 |
|
O3 .7067 0 -.0904 |
|
O4 .9546 0 -.0630 |
|
O5 .2032 .2468 .0021 |
|
O6 .2056 .4999 -.0313 |
|
O7 .2039 .7501 -.0425 |
|
O8 .0457 .2935 -.0372 |
|
O9 .0461 .5471 -.0489 |
|
O10 .2961 .5458 -.0668 |
|
O11 .0606 0 .4316 |
|
O12 .3100 0 .4544 |
|
O13 .5673 0 .4816 |
|
O14 .8166 0 .4672 |
|
O15 .0610 .2439 .4667 |
|
O16 .0644 .4970 .4528 |
|
O17 .0644 .7541 .4809 |
|
O18 .1848 .4305 .4519 |
|
O19 .1839 .6827 .4512 |
|
O20 .4341 .6811 .4512 |
|
O21 .1255 .0465 -.0867 |
|
O22 .1255 .2960 -.0151 |
|
O23 .1251 .5465 -.0364 |
|
O24 .1256 .7934 -.0691 |
|
O25 .3771 .0489 -.0044 |
|
O26 .3771 .2968 .0015 |
|
O27 .3751 .5475 -.0540 |
|
O28 .376 .7952 -.0674 |
|
O29 .6277 .0473 -.0204 |
|
O30 .6254 .2963 -.0015 |
|
O31 .6244 .5461 -.0191 |
|
O32 .6262 .7974 -.0847 |
|
O33 .8771 .0470 -.0385 |
|
O34 .8763 .2959 -.0374 |
|
O35 .8750 .5466 -.0568 |
|
O36 .2015 .0784 -.0725 |
|
B1 1/3 2/3 -.0142 |
|
B2 .0831 .1673 -.0496 |
|
B3 .0821 .4166 -.0269 |
|
B4 .1678 .3359 -.0386 |
|
B5 .1674 .5845 -.0540 |
|
B6 .0822 .6654 -.0115 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
PbNb2O6 |
| |
Labbe P, Frey M, Raveau B, Monier J |
|
Acta Crystallographica B33 (1977) 2201-2212 |
|
Structure cristalline de la phase ferroelectrique du niobate de plomb PbNb2O6. |
|
Deplacements des atomes metalliques et interpretation de la surstructure |
|
_cod_database_code 1001009 |
|
_database_code_amcsd 0009596 |
|
35.292 17.943 7.746 90 90 90 Bb2_1m |
|
atom x y z occ |
|
Nb1 .1249 .4997 .25 |
|
Nb2 .1252 -.0005 .25 |
|
Nb3 .0353 .6100 .25 |
|
Nb4 .2149 .6106 .25 |
|
Nb5 .0338 .3940 .25 |
|
Nb6 .2160 .3949 .25 |
|
Nb7 .0716 .1792 .25 |
|
Nb8 .1778 .1865 .25 |
|
Nb9 .0698 .8219 .25 |
|
Nb10 .1804 .8212 .25 |
|
Pb1 .0385 .0235 0 |
|
Pb2 .0395 .0297 .5 |
|
Pb3 .2095 .0335 0 |
|
Pb4 .2128 .0182 .5 |
|
Pb5 .1274 .6999 0 |
|
Pb6 .1303 .6902 .5 |
|
Pb7 .1301 .3449 .5 |
|
Pb8 .1173 .3438 0 |
|
Pb9 .0017 .2482 0 .5 |
|
Pb10 .2477 .2486 0 .5 |
|
Pb11 .0010 .2497 .5 .5 |
|
Pb12 .2481 .2489 .5 .5 |
|
O1 .1128 .4837 0 |
|
O2 .3672 -.0095 0 |
|
O3 .1421 -.0071 0 |
|
O4 .3870 .4945 0 |
|
O5 .4607 .1001 .5 |
|
O6 .4751 .1039 0 |
|
O7 .2762 .0964 .5 |
|
O8 .2912 .1121 0 |
|
O9 .0410 .3837 0 |
|
O10 .0288 .4062 .5 |
|
O11 .2264 .3851 0 |
|
O12 .2038 .3734 .5 |
|
O13 .0736 .2064 0 |
|
O14 .0660 .1515 .5 |
|
O15 .1749 .1677 0 |
|
O16 .1854 .1777 .5 |
|
O17 .4276 .2978 .5 |
|
O18 .4269 .3122 0 |
|
O19 .3304 .3135 .5 |
|
O20 .3193 .2863 0 |
|
O21 .4113 .0708 .2174 |
|
O22 .3389 .0753 .2707 |
|
O23 .4463 .2128 .2089 |
|
O24 .3042 .2129 .2740 |
|
O25 .0139 .4963 .2193 |
|
O26 .2347 .4911 .2690 |
|
O27 .0172 .1299 .2336 |
|
O28 .2318 .1403 .2055 |
|
O29 .0856 .0702 .2312 |
|
O30 .1619 .0726 .2848 |
|
O31 .1268 .2127 .2805 |
|
O32 .377 .2742 .2426 |
|
O33 .4110 .4187 .2839 |
|
O34 .3401 .4255 .2050 |
|
O35 .4836 .3492 .2739 |
|
O36 .2703 .3430 .2745 |
|
O37 .0509 .2695 .2979 |
|
O38 .2000 .2816 .2504 |
|
O39 .0851 .4048 .2808 |
|
O40 .1612 .4113 .2207 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O3 Rb0.28 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B34 (1978) 1433-1438 |
|
Etude comparative des structures Mx WO3 de type bronze hexagonal. |
|
I. Analyse structurale des bronzes de composition M0.30WO3. |
|
Stereochimie des elements M=Rb,Tl et In |
|
_cod_database_code 1001020 |
|
_database_code_amcsd 0009639 |
|
7.3875 7.3875 7.5589 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .48053 .25 |
|
O1 .2149 .4224 .25 |
|
O2 0 .4769 .0009 .5 |
|
Rb1 0 0 0 .85 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O3 Tl0.3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B34 (1978) 1433-1438 |
|
Etude comparative des structures Mx WO3 de type bronze hexagonal. |
|
I. Analyse structurale des bronzes de composition M0.30 W O3 . |
|
Stereochimie des elements M=Rb, Tl et In |
|
_cod_database_code 1001021 |
|
_database_code_amcsd 0009640 |
|
7.3810 7.3810 7.5091 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47744 .25 |
|
O1 .2118 .4200 .25 |
|
O2 0 .4635 -.0020 .5 |
|
Tl1 0 0 .0307 .45 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
In0.3 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B34 (1978) 1433-1438 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. I. |
|
Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie |
|
des elements M=Rb, Tl et In |
|
_cod_database_code 1001836 |
|
_database_code_amcsd 0009641 |
|
7.3750 7.3750 7.5009 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .48154 .25 |
|
O1 .2139 .4214 .2186 .5 |
|
O2 0 .4673 -.0012 .5 |
|
In1 0 0 .0606 .18 |
|
In2 0 .0664 0 .09 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
In0.17 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001039 |
|
_database_code_amcsd 0009675 |
|
7.3762 7.3762 7.4983 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47681 .25 |
|
O1 .2154 .4230 .2241 .5 |
|
O2 0 .4726 .0012 .5 |
|
In1 0 0 .0701 .136 |
|
In2 0 .0596 0 .040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.15 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001040 |
|
_database_code_amcsd 0009676 |
|
7.3824 7.3824 7.5082 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47705 .25 |
|
O1 .2139 .4215 .2251 .5 |
|
O2 0 .4709 -.0023 .5 |
|
In1 0 0 .0722 .103 |
|
In2 0 .0508 0 .039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.18 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001041 |
|
_database_code_amcsd 0009677 |
|
7.3888 7.3888 7.5007 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47682 .25 |
|
O1 .215 .4229 .2207 .5 |
|
O2 0 .4709 -.0009 .5 |
|
In1 0 0 .0553 .155 |
|
In2 0 .0605 0 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.21 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001042 |
|
_database_code_amcsd 0009678 |
|
7.3883 7.3883 7.5065 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47791 .25 |
|
O1 .2134 .4230 .2261 .5 |
|
O2 0 .4702 -.0003 .5 |
|
In1 0 0 .0743 .177 |
|
In2 0 .0547 0 .049 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.24 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001043 |
|
_database_code_amcsd 0009679 |
|
7.3837 7.3837 7.5012 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .47850 .25 |
|
O1 .2112 .4170 .2261 .5 |
|
O2 0 .4629 -.0031 .5 |
|
In1 0 0 .0656 .180 |
|
In2 0 .0621 0 .064 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.28 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001044 |
|
_database_code_amcsd 0009680 |
|
7.3673 7.3673 7.5020 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .48098 .25 |
|
O1 .2109 .4213 .2224 .5 |
|
O2 0 .4646 -.0016 .5 |
|
In1 0 0 .0779 .188 |
|
In2 0 .0667 0 .078 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
In0.3 O3 W |
| |
Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001045 |
|
_database_code_amcsd 0009681 |
|
7.3750 7.3750 7.5009 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .48154 .25 |
|
O1 .2139 .4214 .2186 .5 |
|
O2 0 .4673 -.0012 .5 |
|
In1 0 0 .0606 .178 |
|
In2 0 .0664 0 .093 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
In0.31 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B35 (1979) 1557-1564 |
|
Etude comparative des structures Mx W O3 de type bronze hexagonal. |
|
II. Evolution structurale dans la serie des bronzes Inx W O3 |
|
(x equals a number between 0.12 and 0.33) |
|
_cod_database_code 1001046 |
|
_database_code_amcsd 0009682 |
|
7.3716 7.3716 7.5038 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
W1 0 .48451 .25 |
|
O1 .2101 .4192 .2192 .5 |
|
O2 0 .4547 -.0061 .5 |
|
In1 0 .0743 0 .156 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O46 Sn10 W16 |
| |
Goreaud M, Labbe P, Raveau B |
|
Acta Crystallographica B36 (1980) 15-19 |
|
A mixed-valence tungsten oxide of divalent tin: Sn10 W16 O46 |
|
_cod_database_code 1001079 |
|
_database_code_amcsd 0009696 |
|
7.667 7.667 18.640 90 90 120 P6_3/m |
|
atom x y z |
|
Sn1 .1928 .3124 .25 |
|
Sn2 1/3 2/3 .0705 |
|
W1 .22453 .05645 .05991 |
|
W2 1/3 2/3 .67023 |
|
O1 .459 .301 .25 |
|
O2 .462 .131 .1195 |
|
O3 .129 .412 .0060 |
|
O4 0 0 0 |
|
O5 .186 .245 .1243 |
|
O6 0 0 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O56 P4 Rb0.8 W16 |
| |
Giroult J, Goreaud M, Labbe P, Raveau B |
|
Acta Crystallographica B36 (1980) 2570-2575 |
|
Rbx P8 W32 O112: A Tunnel Structure Built up from Re O3-Type |
|
Blocks and P2 O7 Groups |
|
_cod_database_code 1001237 |
|
_database_code_amcsd 0009718 |
|
16.194 3.7719 17.095 90 93.89 90 P2/c |
|
atom x y z occ |
|
Rb1 .5 0 .5 .4 |
|
P1 .4316 .4062 .1456 .5 |
|
P2 .4317 .5936 .1450 .5 |
|
W1 .15094 .48884 .21246 |
|
W2 .35917 .53926 .32722 |
|
W3 .25863 .47253 .52189 |
|
W4 .05192 .50512 .40526 |
|
O1 0 .5 0 |
|
O2 .2141 .4784 .1143 .5 |
|
O3 .2134 .5144 .1152 .5 |
|
O4 .1635 .4991 .4613 |
|
O5 .0532 .4885 .1522 |
|
O6 .1033 .4959 .3060 |
|
O7 .3273 .4602 .4248 .5 |
|
O8 .3215 .5537 .4221 .5 |
|
O9 .3769 .4535 .0766 .5 |
|
O10 .3766 .05472 .0778 .5 |
|
O11 .2613 .4521 .2741 .5 |
|
O12 .2636 .5442 .2714 .5 |
|
O13 .4117 .4418 .2228 .5 |
|
O14 .4156 .5724 .2235 .5 |
|
O15 .4787 .4379 .3743 .5 |
|
O16 .4806 .5449 .3730 .5 |
|
O17 .2625 .0037 .0217 .5 |
|
O18 .2839 .0065 .0123 .5 |
|
O19 .1706 -.0041 .2065 .5 |
|
O20 .1483 -.0004 .2114 .5 |
|
O21 .3845 .0139 .3179 .5 |
|
O22 .3571 .0102 .3311 .5 |
|
O23 .0557 .0008 .4044 |
|
O24 .4112 .0042 .1537 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O32 P4 W8 |
| |
Giroult J, Goreaud M, Labbe P, Raveau B |
|
Acta Crystallographica B37 (1981) 2139-2142 |
|
P4 W8 O32: A mixed-valence tunnel structure built up of Re O3 - |
|
type slabs connected through P O4 tetrahedra |
|
_cod_database_code 1001209 |
|
_database_code_amcsd 0009749 |
|
5.285 6.569 17.351 90 90 90 P2_12_12_1 |
|
atom x y z |
|
W1 .2425 .4119 .04479 |
|
W2 .2560 .2478 .37239 |
|
P1 .235 .0524 .1870 |
|
O1 -.033 .262 .007 |
|
O2 .243 .245 .1395 |
|
O3 .261 .117 .2710 |
|
O4 -.015 .102 .4037 |
|
O5 .492 .062 .4111 |
|
O6 .553 .414 .3332 |
|
O7 .014 .444 .319 |
|
O8 .251 .408 .4678 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O52 P8 W12 |
| |
Domenges B, Goreaud M, Labbe P, Raveau B |
|
Acta Crystallographica B38 (1982) 1724-1728 |
|
P8 W12 O52: A Mixed-Valence Tungsten Oxide Built up from W O6 |
|
Octahedra and P2 O7 Groups |
|
_cod_database_code 1001158 |
|
_database_code_amcsd 0009766 |
|
11.9866 15.5500 5.3197 90 90 90 Pnam |
|
atom x y z |
|
P1 .1997 .4382 .25 |
|
P2 .0176 .6532 .75 |
|
W1 .86810 .10185 .75 |
|
W2 .08270 .13543 .25 |
|
W3 .29710 .16244 .75 |
|
O1 .3775 .5180 .75 |
|
O2 .2169 .5334 .25 |
|
O3 .0695 .4230 .25 |
|
O4 .2456 .3984 .4849 |
|
O5 .4735 .3831 .5024 |
|
O6 .0842 .6387 .5107 |
|
O7 .3068 .6647 .4976 |
|
O8 .3355 .2735 .75 |
|
O9 .0444 .2611 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O50 P4 Rb0.87 W14 |
| |
Giroult J, Goreaud M, Labbe P, Raveau B |
|
Acta Crystallographica B38 (1982) 2342-2347 |
|
Bronzes with a tunnel structure Rbx P8 W8n O(24n+16). III. |
|
Rbx P8 W28 O100: A member corresponding to a non-integral n |
|
value n=3.5 |
|
_cod_database_code 1001225 |
|
_database_code_amcsd 0009777 |
|
15.723 3.764 17.118 90 113.42 90 P2/c |
|
atom x y z occ |
|
Rb1 0 0 0 .44 |
|
W1 .27014 .5094 .06191 |
|
W2 .15670 .4596 .22047 |
|
W3 .38745 .5026 .40637 |
|
W4 .5 .4910 .25 |
|
P1 .078 .403 .3795 .5 |
|
P2 .087 .596 .3765 .5 |
|
O1 .254 0 .0630 |
|
O2 .119 0 .2200 .5 |
|
O3 .168 0 .2161 .5 |
|
O4 .391 0 .4088 |
|
O5 .487 0 .2426 .5 |
|
O6 .101 .013 .3772 .5 |
|
O7 .499 .577 0 .5 |
|
O8 .021 .531 .1330 |
|
O9 .195 .543 .1363 |
|
O10 .375 .502 .157 |
|
O11 .445 .481 .3309 |
|
O12 .266 .497 .3075 |
|
O13 .093 .563 .3038 .5 |
|
O14 .099 .427 .3092 .5 |
|
O15 .142 .423 .4684 .5 |
|
O16 .140 .568 .4592 .5 |
|
O17 .318 .464 .4835 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mo3 O25 P5.8 Rb Si2 |
| |
Leclaire A, Monier J, Raveau B |
|
Acta Crystallographica B40 (1984) 180-185 |
|
A molybdosilicophosphate with an intersecting - tunnel structure, which |
|
exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl) |
|
_cod_database_code 1001852 |
|
_database_code_amcsd 0009803 |
|
8.2905 8.2905 17.4390 90 90 120 P-31c |
|
atom x y z occ |
|
Mo1 1/3 -.3333 .02239 |
|
Mo2 -.3333 1/3 .25 |
|
Rb1 1/3 -.3333 .25 |
|
P1 .37854 .32971 .11067 .97 |
|
Si1 0 0 .09078 |
|
O1 .11371 -.40782 .09504 |
|
O2 -.18867 .24728 .45370 |
|
O3 .46868 .33401 .18721 |
|
O4 0 0 0 |
|
O5 .03300 -.16308 .12389 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mo3 O25 P5.8 Si2 Tl |
| |
Leclaire A, Monier J, Raveau B |
|
Acta Crystallographica B40 (1984) 180-185 |
|
A molybdosilicophosphate with an intersecting - tunnel structure, which |
|
exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl) |
|
_cod_database_code 1001853 |
|
_database_code_amcsd 0009804 |
|
8.2832 8.2832 17.4343 90 90 120 P-31c |
|
atom x y z occ |
|
Mo1 1/3 -.3333 .02220 |
|
Mo2 -.3333 1/3 .25 |
|
Tl1 1/3 -.3333 .25 |
|
P1 .37818 .32978 .11045 .97 |
|
Si1 0 0 .09101 |
|
O1 .11354 -.40731 .09473 |
|
O2 -.19013 .24785 .45347 |
|
O3 .46868 .33401 .18721 |
|
O4 0 0 0 |
|
O5 .03358 -.16436 .12344 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O7 P2 |
| |
Riou D, Leligny H, Pham C, Labbe P, Raveau B |
|
Acta Crystallographica B47 (1991) 608-617 |
|
BaNiP2O7, a triclinic diphosphate with a modulated structure ofthe |
|
displacive type |
|
_cod_database_code 1001511 |
|
_database_code_amcsd 0010491 |
|
5.317 7.580 7.116 101.26 84.48 89.49 P-1 |
|
atom x y z occ |
|
Ba1 .1841 .0667 .21715 .5 |
|
Ba2 .2294 .07410 .23475 .5 |
|
Ni1 .1798 .5911 .4069 .5 |
|
Ni2 .1922 .6153 .3316 .5 |
|
P1 .7036 .3940 .2194 .5 |
|
P2 .7072 .4218 .1611 .5 |
|
P3 .6974 .7896 .2736 |
|
O1 .9250 .8013 .3934 |
|
O2 .446 .7959 .3970 |
|
O3 .710 .9337 .1521 |
|
O4 .729 .6008 .1276 |
|
O5 .908 .410 .303 .5 |
|
O6 .886 .411 .381 .5 |
|
O7 .772 .298 -.033 .5 |
|
O8 .794 .242 .055 .5 |
|
O9 .5630 .6017 .722 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi1.916 Cu O5.482 Sr1.84 |
| |
Leligny H, Durcok S, Labbe P, Ledesert M, Raveau B |
|
Acta Crystallographica B48 (1992) 407-418 |
|
X-ray investigation of the incommensurate modulated structure of |
|
Bi2.08Sr1.84CuO6-d |
|
_cod_database_code 1001691 |
|
_database_code_amcsd 0009858 |
|
5.3791 5.3811 24.58899 90 89.93 90 A2/a |
|
atom x y z occ |
|
Bi1 -.0006 .2754 .0654 .9579 |
|
Sr1 .5003 .2473 .1785 .920 |
|
Cu1 0 .25 .25 |
|
O1 .2526 .0004 .2517 |
|
O2 .0147 .2003 .1499 .741 |
|
O3 .521 .3404 .0698 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
La0.988 Mo8.024 O14 |
| |
Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W |
|
Acta Crystallographica B49 (1993) 444-454 |
|
The modulated structure of LaMo8O14 |
|
_cod_database_code 1001543 |
|
_database_code_amcsd 0009872 |
|
11.129 10.000 9.218 90 90 90 C2cb |
|
atom x y z occ |
|
La1 .0198 0 0 .8425 |
|
La2 -.0216 0 0 .1450 |
|
Mo1 .8769 .0778 .3795 |
|
Mo2 .1218 .0828 .3768 |
|
Mo3 0 .8402 .3796 |
|
Mo4 .2307 .8371 .3759 .7876 |
|
Mo5 .7741 .8392 .3835 .2244 |
|
O1 .2623 0 .5 |
|
O2 -.0032 .8410 .7638 |
|
O3 .8730 -.0786 .2432 |
|
O4 .1158 -.0761 .2353 |
|
O5 .7443 .1718 .2567 |
|
O6 .1149 .2609 .4893 |
|
O7 .8736 .2507 .4906 |
|
O8 .7452 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
|
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001657 |
|
_database_code_amcsd 0009884 |
|
3.8271 3.8271 12.385 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0859 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .21450 .52 |
|
Sr1 .5 .5 .21450 .48 |
|
Cu1 0 0 .3685 |
|
O1 .5 0 .3755 |
|
O2 0 0 .1629 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
|
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001658 |
|
_database_code_amcsd 0009885 |
|
3.8356 3.8356 12.390 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0949 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .21615 .52 |
|
Sr1 .5 .5 .21615 .48 |
|
Cu1 0 0 .3698 |
|
O1 .5 0 .3744 |
|
O2 0 0 .1621 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
|
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001659 |
|
_database_code_amcsd 0009886 |
|
3.8234 3.8234 12.384 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0862 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .2128 .52 |
|
Sr1 .5 .5 .2128 .48 |
|
Cu1 0 0 .3675 |
|
O1 .5 0 .3749 |
|
O2 0 0 .164 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na1.5 O32 P4 W8 |
| |
Benmmoussa A, Groult D, Labbe P, Raveau B |
|
Acta Crystallographica C40 (1984) 573-576 |
|
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten |
|
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and |
|
Nax P4 W12 O44 (m=6) |
|
_cod_database_code 1001271 |
|
_database_code_amcsd 0009990 |
|
17.788 5.277 6.607 90 99.64 90 P2_1/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .20591 .26064 .14025 .00490 .00446 .00419 .00002 -.00010 .00008 |
|
W2 .37481 .25849 .56011 .00476 .00383 .00422 .00011 .00011 -.00019 |
|
P1 .0634 .2740 .7142 |
|
O1 .1105 .245 .9308 |
|
O2 .0846 .067 .5751 |
|
O3 .4266 .0416 .3689 |
|
O4 .4794 .2684 .7410 |
|
O5 .1505 .4829 .3021 |
|
O6 .1619 -.0241 .2642 |
|
O7 .2893 .2618 .3620 |
|
O8 .2572 .0384 .9850 |
|
Na1 .008 .225 .139 .375 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na1.7 O44 P4 W12 |
| |
Benmmoussa A, Groult D, Labbe P, Raveau B |
|
Acta Crystallographica C40 (1984) 573-576 |
|
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten |
|
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and |
|
Nax P4 W12 O44 (m=6) |
|
_cod_database_code 1001272 |
|
_database_code_amcsd 0009991 |
|
23.775 5.291 6.588 90 93.47 90 P2_1/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .27960 .24069 .67190 .00403 .00356 .00407 .00015 .00013 -.00040 |
|
W2 .40705 .24121 .35909 .00349 .00354 .00300 -.00005 -.00007 -.00007 |
|
W3 .15480 .23644 .99311 .00360 .00334 .00335 -.00008 .00042 -.00012 |
|
P1 .04687 .2256 .3261 |
|
O1 .2541 .5255 .530 |
|
O2 .3468 .2308 .510 |
|
O3 .3221 .4535 .866 |
|
O4 .3116 .9548 .823 |
|
O5 .0819 .259 .140 |
|
O6 .4464 .4588 .589 |
|
O7 .4393 -.0667 .514 |
|
O8 .2151 .2395 .828 |
|
O9 .1103 .0219 .789 |
|
O10 .1190 .5226 .836 |
|
O11 .4852 .2318 .248 |
|
Na1 .5086 .215 .862 .425 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cs Mo3 O25 P5.8 Si2 |
| |
Leclaire A, Monier J, Raveau B |
|
Acta Crystallographica C41 (1985) 1719-1720 |
|
Structure of Cs Mo3 P5.8 Si2 O25 |
|
_cod_database_code 1001334 |
|
_database_code_amcsd 0010018 |
|
8.2642 8.2642 17.559 90 90 120 P-31c |
|
atom x y z occ |
|
Mo1 1/3 -.3333 .02137 |
|
Mo2 -.3333 1/3 .25 |
|
Cs1 1/3 -.3333 .25 |
|
P1 .37931 .32974 .11024 .967 |
|
Si1 0 0 .09030 |
|
O1 .11095 -.41158 .09285 |
|
O2 -.19291 .24313 .45308 |
|
O3 .46617 .33466 .18691 |
|
O4 0 0 0 |
|
O5 .03544 -.16229 .12292 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K Mo2 O12 P3 |
| |
Leclaire A, Raveau B |
|
Acta Crystallographica C44 (1988) 226-229 |
|
Small atomic displacements in the molybdenophosphates |
|
AMo2P3O12 (A = K, Rb, Tl) |
|
_cod_database_code 1001349 |
|
_database_code_amcsd 0010063 |
|
17.6398 9.1761 12.3000 90 90 90 Pbnm |
|
atom x y z |
|
Mo1 .12134 .02863 .10175 |
|
Mo2 .12450 .47391 .60141 |
|
K1 .10031 .66689 .25 |
|
K2 .08105 .84247 .75 |
|
P1 .01489 .74720 .00178 |
|
P2 .20556 .35957 .12961 |
|
P3 .19862 .12906 .63085 |
|
O1 .10472 .02559 .25 |
|
O2 .10652 .48839 .75 |
|
O3 .05640 -.15278 .08164 |
|
O4 .07186 .66286 .56816 |
|
O5 .15340 .45462 .43975 |
|
O6 .14505 .03630 -.06255 |
|
O7 .19308 .19962 .11840 |
|
O8 .18794 .29250 .62266 |
|
O9 .21839 .59600 .61991 |
|
O10 .21117 -.11109 .11836 |
|
O11 .03343 .16459 .07897 |
|
O12 .02990 .35452 .57243 |
|
O13 .17997 .40904 .25 |
|
O14 .17094 .08079 .75 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mo2 O12 P3 Rb |
| |
Leclaire A, Raveau B |
|
Acta Crystallographica C44 (1988) 226-229 |
|
Small atomic displacements in the molybdenophosphates |
|
AMo2P3O12 (A = K, Rb, Tl) |
|
_cod_database_code 1001350 |
|
_database_code_amcsd 0010064 |
|
8.8314 9.2368 12.3051 90 90 90 Pbcm |
|
atom x y z |
|
Mo1 .24652 .02802 .10087 |
|
Rb1 -.18821 .16311 .25 |
|
P1 -.02482 .25 0 |
|
P2 .40860 .36033 .12994 |
|
O1 .21299 .01666 .25 |
|
O2 .12278 -.14951 .06757 |
|
O3 .30063 .04952 -.06219 |
|
O4 .38755 .19860 .12234 |
|
O5 .42622 -.10685 .11402 |
|
O6 .07001 .16336 .08040 |
|
O7 .36130 .41003 .25 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K Mo2 O12 P3 |
| |
Leclaire A, Raveau B |
|
Acta Crystallographica C44 (1988) 226-229 |
|
Small Atomic Displacements in the Molybdenophospates A Mo2 P3 O12 |
|
(A= K, Rb, Tl) |
|
_cod_database_code 1001361 |
|
_database_code_amcsd 0010065 |
|
17.6398 9.1761 12.3000 90 90 90 Pbnm |
|
atom x y z |
|
Mo1 .12134 .02863 .10175 |
|
Mo2 .12450 .47391 .60141 |
|
K1 .10031 .66689 .25 |
|
K2 .08105 .84247 .75 |
|
P1 .01489 .74720 .00178 |
|
P2 .20556 .35957 .12961 |
|
P3 .19862 .12906 .63085 |
|
O1 .10472 .02559 .25 |
|
O2 .10652 .48839 .75 |
|
O3 .05640 -.15278 .08164 |
|
O4 .07186 .66286 .56816 |
|
O5 .15340 .45462 .43975 |
|
O6 .140510 .03630 -.06255 |
|
O7 .19308 .19962 .11840 |
|
O8 .18794 .29250 .62266 |
|
O9 .21839 .59600 .61991 |
|
O10 .21117 -.11109 .11836 |
|
O11 .03343 .16459 .07897 |
|
O12 .02990 .35452 .57243 |
|
O13 .17997 .40904 .25 |
|
O14 .17094 .08079 .75 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mo2 O12 P3 Rb |
| |
Leclaire A, Raveau B |
|
Acta Crystallographica C44 (1988) 226-229 |
|
Small Atomic Displacements in the Molybdenophospates A Mo2 P3 O12 |
|
(A= K, Rb, Tl) |
|
_cod_database_code 1001362 |
|
_database_code_amcsd 0010066 |
|
8.8314 9.2368 12.3051 90 90 90 Pbcm |
|
atom x y z |
|
Mo1 .24652 .02802 .10087 |
|
Rb1 -.18821 .16311 .25 |
|
P1 -.02482 .25 0 |
|
P2 .40860 .36033 .12994 |
|
O1 .21299 .01666 .25 |
|
O2 .12278 -.14951 .06757 |
|
O3 .30063 .04952 -.06219 |
|
O4 .38755 .19860 .12234 |
|
O5 .42622 -.10685 .11402 |
|
O6 .07001 .16336 .08040 |
|
O7 .36130 .41003 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mo4 O25 P6 Si2 |
| |
Leclaire A, Lamire M, Raveau B |
|
Acta Crystallographica C44 (1988) 1181-1184 |
|
Mo4 P6 Si2 O25, an Mo(^III^) phosphosilicate closely related to |
|
V3 P5 Si O19: oxygen non-stoichiometry in silicophosphates. |
|
_cod_database_code 1001363 |
|
_database_code_amcsd 0010071 |
|
14.705 14.705 7.3986 90 90 120 P-3 |
|
atom x y z |
|
Mo1 .33924 .34042 .07322 |
|
Mo2 .32866 .32620 .42460 |
|
P1 .4368 .1886 .2501 |
|
P2 .0856 .2301 .2470 |
|
P3 .1036 -.4776 .2550 |
|
Si1 0 0 .2895 |
|
Si2 1/3 -.3333 .2155 |
|
Si3 -.3333 1/3 .2163 |
|
O1 .2063 .3018 .2422 |
|
O2 .2521 .2184 -.0920 |
|
O3 .3646 .2369 .2390 |
|
O4 .4747 .3786 -.0710 |
|
O5 .4303 .4598 .2674 |
|
O6 .3026 .4364 -.0762 |
|
O7 .2326 .1891 -.4313 |
|
O8 .4545 .3624 -.4115 |
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O9 .2897 .4122 -.417 |
|
O10 .0691 .1177 .2098 |
|
O11 0 0 .5 |
|
O12 .4057 -.2155 .282 |
|
O13 -.2852 .2638 .285 |
|
O14 -.3333 1/3 .0007 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nb2(PO4)3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
|
Acta Crystallographica C45 (1989) 699-701 |
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A mixed-valence niobium phosphate with an empty nasicon structure: Nb2(PO4)3 |
|
_cod_database_code 1001855 |
|
_database_code_amcsd 0010075 |
|
8.6974 8.6974 22.12299 90 90 120 R-3c |
|
atom x y z |
|
Nb1 0 0 .14131 |
|
P1 .2821 0 .25 |
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O1 .1692 -.0289 .1943 |
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O2 .2012 .1704 .0916 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mo O7 P2 Rb |
| |
Riou D, Leclaire A, Grandin A, Raveau B |
|
Acta Crystallographica C45 (1989) 989-991 |
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Structure of a diphosphate of trivalent molybdenum Rb Mo P2 O7 |
|
_cod_database_code 1001391 |
|
_database_code_amcsd 0010078 |
|
7.5237 10.3537 8.3998 90 105.8320 90 P2_1/c |
|
atom x y z |
|
Mo1 .23554 .60004 .75928 |
|
Rb1 .18674 .31780 .05344 |
|
P1 .4375 .6358 .1904 |
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P2 .1309 .9015 .8272 |
|
O1 .3325 .5645 .3102 |
|
O2 .0810 .7326 .2546 |
|
O3 .6312 .5796 .2361 |
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O4 .1378 .5914 .5050 |
|
O5 .3242 .6047 .0182 |
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O6 .0017 .4996 .2222 |
|
O7 .4491 .7786 .2350 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K Mo O12 P3 W |
| |
Benmoussa A, Leclaire A, Grandin A, Raveau B |
|
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 |
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K1 -.1788 .1620 .25 |
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K2Mo3AlP8O28 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 1368-1370 |
|
K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7 |
|
_database_code_amcsd 0010163 |
|
4.8171 7.133 7.998 90.53 92.95 105.18 P-1 |
|
atom x y z occ Biso |
|
Mo1 0 0 0 .97 |
|
Mo .5 .5 .5 .5 .65 |
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Al .5 .5 .5 .5 .65 |
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K 0 0 .5 3.3 |
|
P1 -.3795 .2417 .1953 .65 |
|
P2 .0161 -.3816 .2532 .65 |
|
O1 -.190 .102 .186 .8 |
|
O2 .094 -.201 .153 1.2 |
|
O3 .368 .192 .071 .9 |
|
O4 .155 .351 .597 1.0 |
|
O5 .278 .550 .305 .9 |
|
O6 .544 .260 .375 1.0 |
|
O7 -.197 .450 .138 .7 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K0.75MoNbP3O12 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 1381-1383 |
|
Non-stoichiometry in the KMo2P3O12-tunnel structure: |
|
the oxide K0.75MoNbP3O12 |
|
_database_code_amcsd 0010168 |
|
8.8518 9.1453 12.5174 90 90 90 Pbcm |
|
atom x y z occ Biso |
|
Mo .24695 .02586 .10063 .5 .68 |
|
Nb .24695 .02586 .10063 .5 .68 |
|
K -.17042 .15917 .25 .75 5.15 |
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P1 -.02884 .25000 0 .69 |
|
P2 .40255 .36752 .13221 .74 |
|
O1 .20537 .01597 .25000 1.21 |
|
O2 .12745 -.15602 .07173 1.62 |
|
O3 .30155 .04000 -.06273 1.45 |
|
O4 .37812 .20556 .12177 1.55 |
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O5 .43106 -.10142 .12188 1.65 |
|
O6 .06527 .15356 .07317 1.46 |
|
O7 .35151 .41444 .25 1.04 |
|
|
| Download AMC data (View Text File)
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|
| |
|
KMo2P3O13 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 2009-2011 |
|
Structure of a molybdenum(V) phosphate Beta-KMo2P3O13 |
|
_database_code_amcsd 0010199 |
|
9.701 18.848 6.389 90 106.96 90 P2_1/c |
|
atom x y z occ Biso |
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Mo1 .06417 .16238 .38290 .520 |
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Mo2 .61627 .37300 .18747 .518 |
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P1 .2970 .59086 .2686 .64 |
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P2 .3053 .46506 .0082 .58 |
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P3 -.0343 .32612 .3404 .59 |
|
K1 .0521 .0034 -.0242 .5 4.50 |
|
K2 .3615 .1648 .0416 .5 4.38 |
|
O1 .2141 .2106 .4483 1.21 |
|
O2 .0605 .1522 .0685 .93 |
|
O3 .0528 .1512 .6864 1.04 |
|
O4 .5127 .0632 .4154 .83 |
|
O5 -.0708 .2474 .3228 .95 |
|
O6 -.1395 .1066 .2804 1.12 |
|
O7 .5773 .2874 .1931 1.58 |
|
O8 .6249 .3715 -.1270 .88 |
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O9 .6171 .4000 .4936 .89 |
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O10 .8296 .3706 .2885 1.11 |
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O11 .4079 .4036 .0837 .96 |
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O12 .6573 .4856 .1502 .87 |
|
O13 .3087 .5073 .2258 .89 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K O7 P2 V |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 424-425 |
|
Structure of KVP2O7 |
|
_cod_database_code 1001430 |
|
_database_code_amcsd 0010247 |
|
7.3686 10.0527 8.1874 90 106.580 90 P2_1/c |
|
atom x y z |
|
V1 .23510 .10036 .26134 |
|
P1 .13510 .40356 .33024 |
|
P2 .44366 .36225 .19165 |
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K1 .82177 .17838 .44649 |
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O1 .1445 .0908 .0151 |
|
O2 .3213 .1077 .5136 |
|
O3 -.0025 .0050 .2788 |
|
O4 .4554 .2162 .2413 |
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O5 .3591 -.0792 .2689 |
|
O6 .0831 .2650 .2556 |
|
O7 .3425 .4385 .3158 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nb9 O25 P |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 849-850 |
|
Redetermination of the structure of PNb9O25 |
|
_cod_database_code 1001529 |
|
_database_code_amcsd 0010248 |
|
15.639 15.639 3.8317 90 90 90 I4/m |
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atom x y z occ |
|
Nb1 0 0 .043 .5 |
|
Nb2 .1086 .2178 0 |
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Nb3 .3291 .1158 0 |
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P1 .5 0 .25 .5 |
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O1 .0461 .115 0 |
|
O2 .2204 .1733 0 |
|
O3 .1557 .3553 0 |
|
O4 .2852 .0112 0 |
|
O5 .4491 .0685 0 |
|
O6 .3872 .2469 0 |
|
O7 0 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K O25 P6 Si2 Ti3 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
|
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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cs O25 P6 Si2 Ti3 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mo2 O13 P3 Tl |
| |
Costentin G, Borel M, Grandin A, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 1136-1138 |
|
Stucture of beta-TlMo2P3O13 |
|
_cod_database_code 1001463 |
|
_database_code_amcsd 0010255 |
|
9.7536 19.0640 6.3945 90 107.099 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .0643 .16279 .3898 |
|
Mo2 .6174 .37407 .1872 |
|
P1 .2939 .5896 .2658 |
|
P2 .3050 .4652 .0077 |
|
P3 -.0344 .3246 .3445 |
|
Tl1 .0278 .0001 -.0143 .5 |
|
Tl2 .3576 .1590 .0415 .5 |
|
O1 .215 .2098 .456 |
|
O2 .061 .1546 .075 |
|
O3 .051 .1520 .695 |
|
O4 .154 .0641 .428 |
|
O5 -.069 .2467 .328 |
|
O6 -.136 .1071 .284 |
|
O7 .572 .2900 .187 |
|
O8 .626 .3720 .870 |
|
O9 .621 .3997 .493 |
|
O10 .830 .3674 .290 |
|
O11 .411 .4066 .078 |
|
O12 .666 .4840 .150 |
|
O13 .306 .5068 .226 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K O5 P V |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 1138-1141 |
|
KVPO5, an intersecting tunnel structure closely related to the |
|
hexagonal tungsten bronze |
|
_cod_database_code 1001464 |
|
_database_code_amcsd 0010256 |
|
12.7640 10.5153 6.3648 90 90 90 Pn2_1a |
|
atom x y z |
|
V1 .12417 .25 -.0038 |
|
V2 .24842 .49719 .2750 |
|
P1 .18046 .2337 .4976 |
|
P2 -.0028 .4879 .1681 |
|
K1 .3806 .4332 .7812 |
|
K2 .3971 .1794 .2057 |
|
O1 .1119 .2051 .3054 |
|
O2 .1104 .2622 .6866 |
|
O3 .0092 .3683 .0278 |
|
O4 .0182 .1021 -.0232 |
|
O5 .2272 .1032 -.0395 |
|
O6 .2202 .3538 .0334 |
|
O7 .3991 .4666 .1950 |
|
O8 .2474 .6177 .0373 |
|
O9 .0931 .5047 .3109 |
|
O10 .2557 .3449 .4521 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co0.92 Mg1.08 O7 P2 |
| |
Riou D, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 1583-1585 |
|
Structure of a cobalt magnesium diphosphate: (MgxCo1-x)2P2O7 |
|
_cod_database_code 1001465 |
|
_database_code_amcsd 0010262 |
|
6.977 8.330 9.032 90 113.74 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .7329 .07039 .1097 .54 .0066 .0065 .0071 -.0008 .0027 -.0008 |
|
Co1 .7329 .07039 .1097 .46 .0066 .0065 .0071 -.0008 .0027 -.0008 |
|
Mg2 .7989 .44150 .17327 .54 .0083 .0063 .0100 .0000 .0051 .0000 |
|
Co2 .7989 .44150 .17327 .46 .0083 .0063 .0100 .0000 .0051 .0000 |
|
P1 .0311 .2268 .46732 .0043 .0049 .0034 .0003 .0015 .0007 |
|
P2 .4423 .2672 .2599 .0048 .0051 .0053 -.0008 .0028 -.0015 |
|
O1 .2495 .3273 .1008 .0049 .014 .0087 .0001 -.0017 -.0010 |
|
O2 .0511 .3880 .3962 .0082 .0068 .0066 -.0009 .0018 .0028 |
|
O3 .8765 .2642 .0477 .0078 .0070 .0076 -.0008 .0060 -.0006 |
|
O4 -.0168 .0906 .3454 .0061 .0079 .0052 .0014 .0018 -.0024 |
|
O5 .4770 .4027 .3822 .0097 .0048 .0053 -.0002 .0016 -.0005 |
|
O6 .3898 .1100 .3139 .0160 .0065 .0214 -.0040 .0143 -.0012 |
|
O7 .6199 .2589 .2029 .0051 .0070 .0073 .0006 .0026 -.0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co O7 P2 Sr |
| |
Riou D, Raveau B |
|
Acta Crystallographica C47 (1991) 1708-1709 |
|
Structure of SrCoP2O7 |
|
_cod_database_code 1001466 |
|
_database_code_amcsd 0010263 |
|
5.3165 8.2574 12.6755 90 90.133 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) |
|
Sr1 .2851 .3392 .27851 .0060 .0085 .0072 .0002 .0001 .0012 |
|
Co1 .8190 .1479 .10681 .0084 .0065 .0062 -.0001 -.0010 -.0006 |
|
P1 .7484 .5354 .1652 .0050 .0054 .0048 .0003 .0004 .0008 |
|
P2 .3138 .1997 .9810 .0057 .0054 .0025 -.0005 .0015 .0000 |
|
O1 .677 .3597 .1523 .014 .004 .012 -.001 .002 .000 |
|
O2 .668 .4018 .4007 .007 .013 .007 .000 -.003 .001 |
|
O3 .949 .1188 .2663 .007 .006 .003 -.003 .001 .001 |
|
O4 .767 .1133 .4509 .011 .010 .007 -.005 -.001 -.006 |
|
O5 .489 .0615 .2927 .009 .007 .016 -.001 -.005 .002 |
|
O6 .093 .3338 .4728 .001 .013 .010 -.002 .001 .002 |
|
O7 .203 .1838 .0909 .007 .019 .003 -.004 .002 -.001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba O14 P4 V2 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 2437-2438 |
|
Structure of barium vanadium(III) diphosphate |
|
_cod_database_code 1001510 |
|
_database_code_amcsd 0010267 |
|
10.6213 10.4685 9.7063 90 103.074 90 C2/c |
|
atom x y z |
|
Ba1 .25 .25 .5 |
|
V1 0 .5480 .25 |
|
V2 0 0 0 |
|
P1 .0606 .3105 .0571 |
|
P2 .2810 .4571 .2015 |
|
O1 .0673 .3348 -.0937 |
|
O2 -.0323 .4008 .1073 |
|
O3 .0226 .1742 .0823 |
|
O4 .2005 .3276 .1567 |
|
O5 .3505 .4925 .0874 |
|
O6 .1825 .5593 .2114 |
|
O7 .3705 .4181 .3393 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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
|
| |
|
O4 Sr Tl2 |
| |
Michel C, Hervieu M, Caignaert V, Raveau B |
|
Acta Crystallographica C48 (1992) 1747-1749 |
|
Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron |
|
Diffraction Study |
|
_cod_database_code 1001537 |
|
_database_code_amcsd 0010276 |
|
10.0451 11.6905 3.40860 90 90 90 Pnam |
|
atom x y z |
|
Tl1 .4225 .6090 .25 |
|
Tl2 .4212 .1093 .25 |
|
Sr1 .7534 .6504 .25 |
|
O1 .2110 .1772 .25 |
|
O2 .1256 .4777 .25 |
|
O3 .5188 .7790 .25 |
|
O4 .4136 .4254 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .06382 .19558 .18163 .00717 .00318 .00082 -.0013 .00057 -.00071 |
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V1 .1397 .8454 .06649 .0028 .0027 .00028 .0009 -.0002 -.0004 |
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V2 .4587 .0373 .34912 .0044 .0017 .00026 -.0001 .0000 .0000 |
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P1 .3617 .2756 .0196 .0034 .0022 .00017 -.0008 .0001 -.0002 |
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P2 .3721 .4171 .3217 .0024 .0013 .00021 .0001 -.0002 -.0001 |
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O1 .173 .6798 .1102 .005 .0037 .0009 -.005 .0000 .0007 |
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O2 -.118 .8289 -.0232 .003 .0049 .0003 -.004 -.0002 .0004 |
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O3 -.144 .9498 .1260 .005 .0036 .0008 .002 .0010 -.0014 |
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O4 .399 .8235 -.0135 .006 .0039 .0007 .003 .0009 .0002 |
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O5 .372 .9689 .1392 .005 .0026 .0008 -.002 -.0009 .0002 |
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O6 .212 -.0518 .3143 .006 .0037 .0013 -.004 -.001 -.0013 |
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O7 .381 .2442 .2998 .009 .0023 .0003 .001 -.0017 -.0001 |
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O8 .680 .0117 .2544 .005 .0036 .0003 -.002 -.0008 -.0014 |
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O9 .640 -.1430 .3978 .009 .0032 .0003 .007 .0016 -.0002 |
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O10 .339 .1071 .4520 .009 .0030 .0005 -.003 .0004 -.0015 |
|
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| |
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Ba0.84 Nb8 O34 P5 Rb3 |
| |
Gueho C, Borel M, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C48 (1992) 2066-2067 |
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Structure of Ba0.84Rb3Nb8P5O34 |
|
_cod_database_code 1001535 |
|
_database_code_amcsd 0010278 |
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10.6604 10.6604 6.4434 90 90 90 P-4m2 |
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atom x y z occ |
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Ba1 .5 .5 .5 .84 |
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Rb1 0 0 .5 |
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Rb2 0 .5 .2912 |
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Nb1 .5 .1804 .1991 |
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Nb2 .17662 .17662 0 |
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P1 .5 .5 0 |
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P2 .2423 .2423 .5 |
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O1 .5 0 .256 |
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O2 .3658 .1746 .025 |
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O3 .3811 .2211 .451 |
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O4 .5 .384 .143 |
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O5 .178 0 .032 |
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O6 .1611 .2017 .313 |
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| |
|
K3 Nb8 O21 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 439-441 |
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Single-crystal structure of K3 Nb8 O21 |
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_cod_database_code 1001860 |
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_database_code_amcsd 0010282 |
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9.1584 9.1584 12.0404 90 90 120 P6_3/mcm |
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atom x y z |
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Nb1 2/3 1/3 0 |
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Nb2 .24888 .24888 .09468 |
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K1 .5938 .5938 .25 |
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O1 .4818 .3143 .0958 |
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O2 .2006 0 .0740 |
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O3 .2070 .2070 .25 |
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Ca0.75 K6.5 Nb14 O47 Si4 |
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Borel M, Chardon J, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 570-571 |
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Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 |
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_cod_database_code 1001861 |
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_database_code_amcsd 0010283 |
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9.046 9.046 27.883 90 90 120 P6_3/mcm |
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atom x y z occ |
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Nb1 .24520 0 .04437 |
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Nb2 .23777 0 .18222 |
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Nb3 1/3 2/3 0 |
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Si1 1/3 2/3 .19176 |
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K1 .5924 0 .10739 |
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K2 .6018 0 .25 .1667 |
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Ca1 .6018 0 .25 .25 |
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O1 .2172 0 .1106 |
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O2 .2752 0 .25 |
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O3 .1973 0 .5328 |
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O4 .1744 0 .6862 |
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O5 1/3 2/3 .25 |
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O6 .1817 .4856 .1731 |
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O7 .1684 .4815 .4584 |
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Tl2Mo2P2O11 |
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Guesdon A, Borel M, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 1877-1879 |
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Structure of Tl2Mo2P2O11 |
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_cod_database_code 1001592 |
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_database_code_amcsd 0010287 |
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9.945 10.156 9.974 90 97.64 90 P2_1/c |
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atom x y z occ |
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Mo1 .3448 .0853 .1325 |
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Mo2 .0775 .3219 .1467 |
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P1 .3962 .3755 .3154 |
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P2 .1260 .0758 .3535 |
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Tl1 0 0 0 |
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Tl2 .7572 .1776 .2865 |
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Tl3 .5273 .0798 .5077 .5 |
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O1 .287 -.057 .061 |
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O2 .427 .152 -.033 |
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O3 .269 .054 .317 |
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O4 .526 .001 .221 |
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O5 .192 .192 .095 |
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O6 .443 .258 .238 |
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O7 -.073 .265 .066 |
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O8 -.024 .480 .225 |
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O9 .135 .449 .006 |
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O10 .072 .216 .320 |
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O11 .247 .408 .272 |
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| |
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Ca2 O7 P2 |
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Boudin S, Grandin A, Borel M, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 2062-2064 |
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Redetermination of the beta-Ca2P2O7 structure |
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_cod_database_code 1001556 |
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_database_code_amcsd 0010288 |
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6.6858 6.6858 24.147 90 90 90 P4_1 |
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atom x y z |
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Ca1 .1374 .2313 0 |
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Ca2 .1591 .5447 .24262 |
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Ca3 .7895 .7337 .13802 |
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Ca4 .3627 .1054 .13548 |
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P1 .6213 .3078 .02345 |
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P2 .8673 .2534 .12431 |
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P3 .0463 .7148 .01863 |
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P4 .2873 .6462 .12074 |
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O1 .4607 .1584 .0426 |
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O2 .7727 .1984 -.0133 |
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O3 .5303 .4921 -.0001 |
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O4 .7395 .3776 .0789 |
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O5 .7364 .0873 .1469 |
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O6 .0519 .1769 .0953 |
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O7 .8994 .4088 .1695 |
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O8 .8537 .7907 .0433 |
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O9 .1855 .8795 -.0011 |
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O10 .0229 .5542 -.0249 |
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O11 .1582 .5873 .0666 |
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O12 .3450 .4526 .1474 |
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O13 .4622 .7756 .1015 |
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O14 .1474 .7722 .1572 |
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CdV2(P2O7)2 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Acta Crystallographica C50 (1994) 840-842 |
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CdV2(P2O7)2 |
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_cod_database_code 1001596 |
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_database_code_amcsd 0010291 |
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4.7833 6.9698 7.7644 89.41 87.77 73.16 P-1 |
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atom x y z |
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Cd1 0 0 0 |
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V1 0 0 .5 |
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V2 .5 .5 0 |
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P1 .61504 .78903 .28111 |
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P2 .03341 .38306 .24804 |
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O1 .3861 .8415 .4226 |
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O2 .1789 .0779 .7297 |
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O3 .0792 .2191 .3769 |
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O4 .3091 .4396 .2072 |
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O5 .4959 .7742 .1019 |
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O6 .8945 .3303 .0852 |
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O7 .8019 .5693 .3332 |
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|
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Mo2 O11 P2 Rb2 |
| |
Guesdon A, Leclaire A, Borel M, Grandin A, Raveau B |
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Acta Crystallographica C50 (1994) 1852-1854 |
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An Mo^V^ monophosphate, Rb2Mo2P2O11 |
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_cod_database_code 1001613 |
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_database_code_amcsd 0010296 |
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9.973 10.180 10.012 90 97.70 90 P2_1/c |
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atom x y z occ |
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Mo1 .3458 .0854 .1344 |
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Mo2 .0794 .3223 .1474 |
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P1 .3968 .3743 .3171 |
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P2 .1263 .0754 .3541 |
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Rb1 0 0 0 |
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Rb2 .7620 .1852 .2901 |
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Rb3 .5132 .0685 .5069 .5 |
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O1 .2846 -.058 .064 |
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O2 .4286 .1493 -.029 |
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O3 .2681 .053 .317 |
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O4 .5255 -.004 .221 |
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O5 .1952 .1957 .0958 |
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O6 .4436 .255 .2434 |
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O7 -.070 .262 .068 |
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O8 -.0261 .478 .2232 |
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O9 .1340 .4489 .0063 |
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O10 .068 .216 .3227 |
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O11 .2470 .4043 .2748 |
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|
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| |
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Ca O9 P2 V2 |
| |
Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Acta Crystallographica C51 (1995) 796-798 |
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Ca V2 O (P O4)2, isotypic with the Cd phase |
|
_cod_database_code 1001656 |
|
_database_code_amcsd 0010301 |
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14.192 6.424 7.317 90 90 90 Pnma |
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atom x y z |
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Ca1 .21979 .25 .1149 |
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V1 .37954 .75 .1489 |
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V2 0 .5 0 |
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P1 .18974 .75 .1134 |
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P2 .43270 .25 .1366 |
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O1 .3662 .4378 .1278 |
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O2 .2632 .75 -.0424 |
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O3 .4929 .75 .0081 |
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O4 .2514 .75 .2875 |
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O5 .4442 .75 .3759 |
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O6 -.0186 .25 .1750 |
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O7 .1283 .5533 .1084 |
|
|
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| |
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Li Mo O7 P2 |
| |
Ledain S, Leclaire A, Borel M, Raveau B |
|
Acta Crystallographica C52 (1996) 1593-1594 |
|
Li Mo P2 O7 |
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_cod_database_code 1001767 |
|
_database_code_amcsd 0010308 |
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4.8984 8.3919 7.034 90 109.33 90 P2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mo1 .21270 .5 .22578 .0047 .0034 .0051 -.0003 .0023 -.0005 |
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P1 .4030 .1806 .0289 .0058 .0047 .0053 -.0005 .0022 -.0013 |
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P2 .7937 .2851 .4194 .0060 .0060 .0053 -.0001 .0015 .0008 |
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Li1 .797 .364 .821 |
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O1 .0539 .3200 .3608 .008 .011 .020 -.001 .009 .005 |
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O2 .3985 .6822 .0963 .014 .007 .011 .001 .008 .002 |
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O3 .1328 .7007 .3807 .011 .010 .005 .002 .002 -.001 |
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O4 .6172 .4331 .4226 .007 .009 .015 .002 -.001 -.003 |
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O5 .2403 .3376 .0069 .008 .005 .009 .002 .003 -.002 |
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O6 .5967 .1593 .2607 .013 .007 .008 -.003 .002 -.003 |
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O7 .7975 .5375 .0077 .008 .006 .009 .002 .001 .000 |
|
|
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|
| |
|
(NH4)2(VO)(VP)O7 |
| |
Boudin S, Grandin A, Labbe P, Raveau B |
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Acta Crystallographica C52 (1996) 2668-2670 |
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(NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups |
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_cod_database_code 1001731 |
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_database_code_amcsd 0010309 |
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8.6233 8.6233 5.6384 90 90 90 P4bm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P1 .36969 .13031 .06353 .51 .011 .011 .0068 -.004 .0000 .0000 |
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V1 .36969 .13031 .06353 .49 .0076 .0076 .025 -.0004 -.0059 .0059 |
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V2 0 0 .0593 .0108 .0108 .0183 0 0 0 |
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O1 .5 .5 .3436 .030 .030 .023 0 0 0 |
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O2 .3699 .1301 .3440 .0229 .0229 .020 .0038 .0003 -.0003 |
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O3 .7019 .4169 -.0402 .0134 .031 .034 .0065 -.0008 -.0097 |
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O4 .5 0 -.035 .059 .059 .017 -.016 0 0 |
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N1 .1701 .3299 .585 .049 .049 .029 .026 .000 .000 |
|
|
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|
| |
|
Mo Na0.3 O7 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 184 (1988) 247-255 |
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NaxMoP2O7, a mixed valence molybdenum diphosphate with a tunnel structure |
|
_cod_database_code 1001439 |
|
_database_code_amcsd 0010982 |
|
4.8813 7.0110 8.2563 91.400 92.466 106.551 P-1 |
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atom x y z occ |
|
Mo1 0 0 0 |
|
Mo2 .5 .5 .5 |
|
P1 -.38075 .24019 .19526 |
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P2 .02281 -.36972 .25600 |
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O1 -.18760 .10297 .18306 |
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O2 .10535 -.19509 .14722 |
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O3 .37337 .18907 .06736 |
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O4 .12703 .32130 .59689 |
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O5 .27468 .55597 .29875 |
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O6 .52932 .24450 .36858 |
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O7 -.20427 .45792 .14898 |
|
Na1 -.0956 .0080 .4766 .3 |
|
|
| Download AMC data (View Text File)
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|
| |
|
As2 Hg4 I3 |
| |
Labbe P, Ledesert M, Raveau B, Rebbah A |
| |
Zeitschrift fur Kristallographie 187 (1989) 117-123 |
|
Crystal structure of Hg4 As2 I3 |
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_cod_database_code 1001415 |
|
_database_code_amcsd 0010984 |
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12.999 12.999 12.999 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 .22092 .22092 .22092 .0415 .0415 .0415 -.0093 -.0093 -.0093 |
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Hg2 .04322 .01333 .26386 .0355 .0344 .0231 -.0006 .0076 .0115 |
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As1 .10819 .10819 .10819 .0161 .0161 .0161 .0046 .0046 .0046 |
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As2 .44637 .44637 .44637 .0139 .0139 .0139 .0004 .0004 .0004 |
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I1 .18518 .43990 .25788 .0161 .0174 .0266 -.0004 -.0012 .0008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K Mo2 O13 P3 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 188 (1989) 77-83 |
|
A novel form of molybdenum (V) phosphate: delta K Mo2 P3 O13 |
|
_cod_database_code 1001380 |
|
_database_code_amcsd 0010985 |
|
8.846 8.846 10.01 56.488 55.588 68.868 P-1 |
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atom x y z occ |
|
Mo1 .00751 .17364 .16264 .5 |
|
Mo2 .34382 .33738 .32635 .5 |
|
P1 .26056 .48946 -.01052 .5 |
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P2 .08727 -.26151 .35204 .5 |
|
P3 -.1780 -.1480 .2390 .5 |
|
K1 .5 0 0 .5 |
|
K2 .5 .5 .5 .5 |
|
O1 -.0816 .3959 .0006 .5 |
|
O2 .1977 .1501 -.1011 .5 |
|
O3 .2327 .2916 .0600 .5 |
|
O4 .1477 -.0693 .2543 .5 |
|
O5 -.1649 .0411 .1981 .5 |
|
O6 -.1220 .1973 .3516 .5 |
|
O7 .3147 .4996 .1041 .5 |
|
O8 .5842 .4398 .2087 .5 |
|
O9 .2462 .6009 .3503 .5 |
|
O10 .3327 .2453 .5695 .5 |
|
O11 .0741 .3017 .4590 .5 |
|
O12 .4264 .1490 .3023 .5 |
|
O13 .0109 -.2605 .2392 .5 |
|
|
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|
| |
|
Al Mo O9 P2 |
| |
Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 190 (1990) 135-142 |
|
Mo Al P2 O9 molybdenum(V)aluminophosphate isostructural with |
|
VSiP2O9 |
|
_cod_database_code 1001414 |
|
_database_code_amcsd 0010997 |
|
8.8030 8.8030 8.6970 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z |
|
Al1 .75 .25 0 |
|
Mo1 .25 .25 .17748 |
|
P1 .56514 .435 .25 |
|
O1 .3929 .4141 .2332 |
|
O2 .25 .25 -.0126 |
|
O3 .6472 .3779 .1084 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mo2 O15 P4 |
| |
Costentin G, Leclaire A, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Kristallographie 201 (1992) 53-58 |
|
Determination of the crystal structure of Mo(V)2P4O15 |
|
_cod_database_code 1001467 |
|
_database_code_amcsd 0011020 |
|
8.3068 6.5262 10.7181 90 106.7050 90 P2_1/c |
|
atom x y z occ |
|
Mo1 .2022 .2547 .1496 |
|
P1 .1845 .5559 .3988 |
|
P2 .4159 .8868 .3737 |
|
O1 .150 .436 .044 |
|
O2 .451 .299 .177 |
|
O3 .202 .022 .028 |
|
O4 -.027 .172 .155 |
|
O5 .225 .414 .313 |
|
O6 .289 .012 .287 |
|
O7 .331 .715 .432 |
|
O8 .486 .060 .476 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H3 Mo O7 P |
| |
Biot C, Leclaire A, Borel M, Raveau B |
| |
Zeitschrift fur Kristallographie 212 (1997) 792-794 |
|
Revised crystal structure of molybdenum hydroxymonophosphate, |
|
(MoO2).(H2O).(P(O3OH)) |
|
_cod_database_code 1001833 |
|
_database_code_amcsd 0011073 |
|
6.758 6.339 7.054 90 110.13 90 P2_1/m |
|
atom x y z |
|
Mo1 .2778 .25 .1748 |
|
P1 .3424 .75 .3348 |
|
O1 .046 .25 .214 |
|
O2 .197 .25 -.085 |
|
O3 .3250 .5616 .1972 |
|
O4 .463 .25 .484 |
|
O5 .610 .25 .166 |
|
O6 .153 .75 .416 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nb0.787 O5 P W0.213 |
| |
Leclaire A, Borel M, Raveau B, Mezaoui D |
| |
Zeitschrift fur Kristallographie 212 (1997) 837-839 |
|
Combination of $-alpha-Nb O P O4 type layers with enantiomorphic |
|
alpha'-type layers: the "racemic structure" of alpha-alpha'- |
|
(Nb0.787 W0.213 O P O4) |
|
_cod_database_code 1001834 |
|
_database_code_amcsd 0011074 |
|
6.3524 6.3524 4.0916 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z occ |
|
Nb1 .25 .25 .28336 .787 |
|
W1 .25 .25 .28336 .213 |
|
P1 .25 .75 0 |
|
O1 .25 .25 .710 |
|
O2 .2154 .5569 .2137 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nb O9 Rb Ti3 |
| |
Hervieu M, Desgardin G, Raveau B |
| |
Annales de Chimie 1979 (1979) 339-346 |
|
Titanoniobates et Titanotantalates avec une structure a tunnels: les |
|
oxydes A Ti3 M O9 et (A2 Ti6 O13)n * A Ti3 M O9 |
|
_cod_database_code 1001201 |
|
_database_code_amcsd 0012019 |
|
6.407 3.797 14.918 90 90 90 *Pnmm |
|
0 .25 .25 |
|
atom x y z occ |
|
Rb1 .2129 .75 .25 |
|
Ti1 .3115 .25 .0442 .75 |
|
Ti2 .7543 .25 .1273 .75 |
|
Nb1 .3115 .25 .0442 .25 |
|
Nb2 .7543 .25 .1273 .25 |
|
O1 .6608 .25 .5218 |
|
O2 .2231 .25 .5996 |
|
O3 .4308 .25 .15 |
|
O4 .0295 .25 .0836 |
|
O5 .834 .25 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 |
| |
Archaimbault F, Choisnet J, Hervieu M, Raveau B |
| |
Annales de Chimie (Paris) (Vol=Year) 12 (1987) 23-32 |
|
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4: |
|
Les Oxydes Ca1-x Lix (Fe2-x Sn x) O4 (0 < x <=0.60) |
|
_cod_database_code 1001437 |
|
_database_code_amcsd 0012023 |
|
9.285 10.869 3.020 90 90 90 Pnam |
|
atom x y z occ |
|
Ca1 .774 .667 .25 .5 |
|
Li1 .774 .667 .25 .5 |
|
Fe1 .4363 .6085 .25 .75 |
|
Sn1 .4363 .6085 .25 .25 |
|
Fe2 .4105 .1051 .25 .75 |
|
Sn2 .4105 .1051 .25 .25 |
|
O1 .214 .167 .25 |
|
O2 .129 .458 .25 |
|
O3 .514 .785 .25 |
|
O4 .419 .425 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca Cu3 O12 Ti4 |
| |
Deschanvres A, Raveau B, Tollemer F |
| |
Bulletin de la Societe Chimique de France 1967 (1967) 4077-4078 |
|
Remplacement de metal bivalent par le cuivre dans les titanates de type |
|
Perowskite |
|
_cod_database_code 1001203 |
|
_database_code_amcsd 0012097 |
|
7.393 7.393 7.393 90 90 90 Im3m |
|
atom x y z |
|
Ca1 0 0 0 |
|
Cu1 0 .5 .5 |
|
Ti1 .25 .25 .25 |
|
O1 0 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi O10 Ta W2 |
| |
Deschanvres A, Leparmentier L, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3459-3463 |
|
Sur une nouvelle phase metastable Bi1-x (Ta1+x W2-x) O10-2x |
|
apparentee aux bronzes hexagonaux de tungstene |
|
_cod_database_code 1001162 |
|
_database_code_amcsd 0012100 |
|
7.42 7.42 3.881 90 90 120 P-62m |
|
atom x y z occ |
|
Bi1 0 0 .5 |
|
O1 0 0 0 |
|
Ta1 .49 0 .5 .3333 |
|
W1 .49 0 .5 .6667 |
|
O2 .5 0 0 |
|
O3 .4 .21 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H3 O7 Ta W |
| |
Hervieu M, Michel C, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001163 |
|
_database_code_amcsd 0012101 |
|
10.39 10.39 10.39 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
O1 .44 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H3.4 O7 Ta1.4 W0.6 |
| |
Hervieu M, Michel C, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001164 |
|
_database_code_amcsd 0012102 |
|
10.485 10.485 10.485 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .7 |
|
W1 .5 .5 .5 .3 |
|
O1 .445 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H3.8 O7 Ta1.8 W0.2 |
| |
Hervieu M, Michel C, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001165 |
|
_database_code_amcsd 0012103 |
|
10.55 10.55 10.55 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .9 |
|
W1 .5 .5 .5 .1 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H4 O7 Ta2 |
| |
Hervieu M, Michel C, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001166 |
|
_database_code_amcsd 0012104 |
|
10.58 10.58 10.58 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
Ta1 .5 .5 .5 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H4 N O6 Ta W |
| |
Hervieu M, Michel C, Raveau B |
| |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001167 |
|
_database_code_amcsd 0012105 |
|
10.358 10.358 10.358 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
N1 .125 .125 .125 |
|
O1 .43 .125 .125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba3 Cu2 Hg O10 Sr Tl2 |
| |
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B |
| |
Chemistry of Materials 6 (1994) 1654-1658 |
|
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 |
|
_cod_database_code 1000369 |
|
_database_code_amcsd 0012201 |
|
3.8289 3.8289 41.75699 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Tl1 0 0 .2237 |
|
Cu1 0 0 .1135 |
|
Ba1 .5 .5 .0664 .75 |
|
Sr1 .5 .5 .0664 .25 |
|
Ba2 .5 .5 .1596 .75 |
|
Sr2 .5 .5 .1596 .25 |
|
O1 0 0 .050 |
|
O2 .5 0 .114 |
|
O3 0 0 .174 |
|
O4 .5 .5 .228 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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
|
| |
|
Al3 Cs7 K2 Mo9 O59 P11 |
| |
Guesdon A, Leclaire A, Borel M, Raveau B |
| |
Chemistry of Materials 7 (1995) 1873-1878 |
|
Significant structural disorganization in alkaline molybdenum(V) |
|
aluminophosphates |
|
_cod_database_code 1001863 |
|
_database_code_amcsd 0012206 |
|
16.952 16.952 11.833 90 90 120 P6_3/m |
|
atom x y z occ |
|
K1 .14585 .52661 .4524 .333 |
|
Cs1 .14585 .52661 .4524 .667 |
|
Cs2 .02728 .1981 .2632 .5 |
|
Mo1 .27303 .44149 .25 |
|
Mo2 .27964 .23429 .36063 |
|
P1 .4486 .4133 .25 |
|
P2 .3785 .1285 .4822 |
|
P3 2/3 1/3 .7135 .5 |
|
P4 1/3 2/3 .700 .5 |
|
Al1 .4871 .1557 .25 |
|
O1 .1615 .4079 .25 |
|
O2 .3193 .5756 .25 |
|
O3 .2548 .3115 .25 |
|
O4 .2869 .4478 .4209 |
|
O5 .4139 .4826 .25 |
|
O6 .1704 .1495 .3772 |
|
O7 .2720 .3037 .5025 |
|
O8 .3412 .1936 .4767 |
|
O9 .3192 .1776 .25 |
|
O10 .4147 .3543 .3554 |
|
O11 .5533 .4684 .25 |
|
O12 .4299 .1317 .3765 |
|
O13 2/3 1/3 .587 .5 |
|
O14 .3039 .5738 .75 |
|
O15 1/3 2/3 .573 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu6 Fe2 La4.4 O20 Sr3.6 |
| |
Genouel R, Michel C, Raveau B |
| |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001701 |
|
_database_code_amcsd 0012207 |
|
10.7480 10.7480 3.8976 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2571 .4726 .5 .55 |
|
Sr1 .2571 .4726 .5 .45 |
|
Cu1 0 0 0 .14 |
|
Fe1 0 0 0 .86 |
|
Cu2 .5 0 0 |
|
Cu3 .2251 .7251 0 .93 |
|
Fe2 .2251 .7251 0 .07 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0150 .0150 .0117 .0061 0 0 |
|
O3 .2202 .7202 .5 .0084 .0084 .0011 .006 0 0 |
|
O4 .3768 .8768 0 |
|
O5 .1569 .0962 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu6.8 Fe1.2 La5.2 O20 Sr2.8 |
| |
Genouel R, Michel C, Raveau B |
| |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001702 |
|
_database_code_amcsd 0012208 |
|
10.7870 10.7870 3.8915 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2585 .4710 .5 .65 |
|
Sr1 .2585 .4710 .5 .35 |
|
Cu1 0 0 0 .4 |
|
Fe1 0 0 0 .6 |
|
Cu2 .5 0 0 |
|
Cu3 .2225 .7225 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0297 .0297 .0043 .0123 0 0 |
|
O3 .2195 .7195 .5 .0182 .0182 .0041 .0092 0 0 |
|
O4 .3768 .8768 0 |
|
O5 .1578 .0958 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu6.8 Fe1.2 La6.4 O20 Sr1.6 |
| |
Genouel R, Michel C, Raveau B |
| |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001703 |
|
_database_code_amcsd 0012209 |
|
10.8088 10.8088 3.8992 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2582 .4707 .5 .8 |
|
Sr1 .2582 .4707 .5 .2 |
|
Cu1 0 0 0 .4 |
|
Fe1 0 0 0 .6 |
|
Cu2 .5 0 0 |
|
Cu3 .2202 .7202 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0516 .0516 .0067 .0029 0 0 |
|
O3 .2198 .7198 .5 .0324 .0324 .0078 .0090 0 0 |
|
O4 .3754 .8754 0 |
|
O5 .1611 .0928 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tl3(CrO4)Sr8Cu4O16 |
| |
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B |
| |
Chemistry of Materials 8 (1996) 865-873 |
|
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long- |
|
range ordering between thallium and chromium |
|
_cod_database_code 1001725 |
|
_database_code_amcsd 0012210 |
|
3.778 15.244 17.67699 90 90 90 Amm2 |
|
atom x y z |
|
Tl1 0 .218 0 |
|
Tl2 0 0 0 |
|
Cr1 0 0 .5 |
|
Cu1 0 0 .7471 |
|
Cu2 0 0 .2529 |
|
Cu3 0 .25 .25 |
|
Sr1 .5 .121 .1523 |
|
Sr2 .5 .366 .1474 |
|
Sr3 .5 .134 .3526 |
|
Sr4 .5 .378 .3477 |
|
O1 .5 0 .267 |
|
O2 .5 0 .733 |
|
O3 .5 .25 .25 |
|
O4 0 .125 .2562 |
|
O5 0 .125 .7438 |
|
O6 0 0 .102 |
|
O7 0 0 .430 |
|
O8 0 0 .570 |
|
O9 0 0 .898 |
|
O10 0 .25 .108 |
|
O11 0 .25 .892 |
|
O12 .5 .125 0 |
|
O13 .5 .109 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co O3.111 Sr0.9999 Tl0.41 |
| |
Boullay P, Domenges B, Hervieu M, Groult D, Raveau B |
| |
Chemistry of Materials 8 (1996) 1482-1489 |
|
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 |
|
_cod_database_code 1001719 |
|
_database_code_amcsd 0012211 |
|
4.95 25.18999 11.66 90 97.76 90 Cm |
|
atom x y z occ |
|
Sr1 .025 0 .89 .9 |
|
Sr2 .025 .2 .89 .9 |
|
Sr3 .025 .4 .89 .9 |
|
Sr4 .025 .5 .11 .9 |
|
Sr5 .025 .7 .11 .9 |
|
Sr6 .025 .9 .11 .9 |
|
Co1 0 0 .5 |
|
Co2 0 .111 .5 |
|
Co3 0 .222 .5 |
|
Co4 0 .333 .5 |
|
Co5 0 .444 .5 |
|
Tl1 .4 0 .71 .615 |
|
Tl2 .4 .222 .71 .615 |
|
Tl3 .45 .5 .28 .615 |
|
Tl4 .45 .7225 .28 .615 |
|
O1 .02 0 .11 |
|
O2 .02 .2 .11 |
|
O3 .02 .4 .11 |
|
O4 .02 .5 .89 |
|
O5 .02 .7 .89 |
|
O6 .02 .9 .89 |
|
O7 .3 0 .4 |
|
O8 .3 .111 .4 |
|
O9 .3 .222 .4 |
|
O10 .3 .333 .4 |
|
O11 .3 .444 .4 |
|
O12 .2 .0555 .6 |
|
O13 .2 .1665 .6 |
|
O14 .2 .2775 .6 |
|
O15 .2 .3885 .6 |
|
O16 .2 .5 .6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 |
| |
Barnabe A, Letouze F, Pelloquin D, Maignan A, Hervieu M, Raveau B |
| |
Chemistry of Materials 9 (1997) 2205-2211 |
|
A new superconducting oxycarbonitrate: (Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7 |
|
_cod_database_code 1001789 |
|
_database_code_amcsd 0012212 |
|
3.8320 3.8320 16.41119 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .102 0 0 .2125 |
|
Cr1 .102 0 0 .0375 |
|
Sr1 .5 .5 .1592 |
|
Sr2 .5 .5 .3723 |
|
Cu1 0 0 .2630 |
|
C1 0 0 .5 .5 |
|
N1 0 0 .5 .5 |
|
O1 .5 .5 0 |
|
O2 0 0 .1226 |
|
O3 .141 0 .4306 .25 |
|
O4 .332 0 .5 .25 |
|
O5 .5 0 .2719 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl |
| |
Sundaresan A, Michel C, Raveau B, Huong P |
| |
Chemistry of Materials 9 (1997) 2212-2217 |
|
Charge-transfer-induced insulator-superconductor transition in |
|
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
|
infrared absorption, and Raman scattering studies |
|
_cod_database_code 1001790 |
|
_database_code_amcsd 0012213 |
|
3.88416 3.88416 12.5430 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 .0843 0 .25 |
|
Ba1 .5 .5 .2103 |
|
Ca1 .5 .5 .5 .424 |
|
Pr1 .5 .5 .5 .576 |
|
Cu1 0 0 .3675 |
|
O1 0 0 .1644 |
|
O2 .5 0 .3790 |
|
O3 .5 .395 0 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 |
| |
Sundaresan A, Michel C, Raveau B, Huong P |
| |
Chemistry of Materials 9 (1997) 2212-2217 |
|
Charge-transfer-induced insulator-superconductor transition in |
|
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
|
infrared absorption, and Raman scattering studies |
|
_cod_database_code 1001791 |
|
_database_code_amcsd 0012214 |
|
3.85262 3.85262 12.2813 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 .080 0 .241 |
|
Ba1 .5 .5 .2094 .5 |
|
Sr1 .5 .5 .2094 .5 |
|
Ca1 .5 .5 .5 .432 |
|
Pr1 .5 .5 .5 .568 |
|
Cu1 0 0 .3621 |
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O1 0 0 .1681 |
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O2 .5 0 .3742 |
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O3 .5 .399 0 .245 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 |
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Sundaresan A, Michel C, Raveau B, Huong P |
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Chemistry of Materials 9 (1997) 2212-2217 |
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Charge-transfer-induced insulator-superconductor transition in |
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TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
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infrared absorption, and Raman scattering studies |
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_cod_database_code 1001792 |
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_database_code_amcsd 0012215 |
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3.82620 3.82620 12.1262 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 0 .073 0 .235 |
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Sr1 .5 .5 .2101 |
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Ca1 .5 .5 .5 .48 |
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Pr1 .5 .5 .5 .52 |
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Cu1 0 0 .3580 |
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O1 0 0 .1697 |
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O2 .5 0 .3693 |
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O3 .5 .402 0 .240 |
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| Download AMC data (View Text File)
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O4 Sn Zn2 |
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Choisnet J, Deschanvres A, Raveau B |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
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Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
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Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
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_cod_database_code 1001187 |
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_database_code_amcsd 0012266 |
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8.65 8.65 8.65 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 |
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Zn2 .625 .625 .625 .5 |
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Sn1 .625 .625 .625 .5 |
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O1 .39 .39 .39 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cd0.2 O4 Sn Zn1.8 |
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Choisnet J, Deschanvres A, Raveau B |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
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Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
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_cod_database_code 1001188 |
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_database_code_amcsd 0012267 |
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8.71 8.71 8.71 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 .8 |
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Zn2 .625 .625 .625 .5 |
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Cd1 0 0 0 .2 |
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Sn1 .625 .625 .625 .5 |
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O1 .39 .39 .39 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.4 O4 Sn Zn1.6 |
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Choisnet J, Deschanvres A, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
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_cod_database_code 1001189 |
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_database_code_amcsd 0012268 |
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8.76 8.76 8.76 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 .67 |
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Zn2 .625 .625 .625 .465 |
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Cd1 0 0 0 .33 |
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Cd2 .625 .625 .625 .035 |
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Sn1 .625 .625 .625 .5 |
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O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.6 O4 Sn Zn1.4 |
| |
Choisnet J, Deschanvres A, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
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_cod_database_code 1001190 |
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_database_code_amcsd 0012269 |
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8.82 8.82 8.82 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 .5 |
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Zn2 .625 .625 .625 .45 |
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Cd1 0 0 0 .5 |
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Cd2 .625 .625 .625 .05 |
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Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.8 O4 Sn Zn1.2 |
| |
Choisnet J, Deschanvres A, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001191 |
|
_database_code_amcsd 0012270 |
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8.88 8.88 8.88 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 .36 |
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Zn2 .625 .625 .625 .42 |
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Cd1 0 0 0 .64 |
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Cd2 .625 .625 .625 .08 |
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Sn1 .625 .625 .625 .5 |
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O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd O4 Sn Zn |
| |
Choisnet J, Deschanvres A, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545 |
|
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4. |
|
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4 |
|
_cod_database_code 1001192 |
|
_database_code_amcsd 0012271 |
|
8.94 8.94 8.94 90 90 90 Fd3m |
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atom x y z occ |
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Zn1 0 0 0 .27 |
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Zn2 .625 .625 .625 .365 |
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Cd1 0 0 0 .73 |
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Cd2 .625 .625 .625 .135 |
|
Sn1 .625 .625 .625 .5 |
|
O1 .39 .39 .39 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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