|
PbNb2O6 |
| |
Labbe P, Frey M, Allais G |
 |
Acta Crystallographica B29 (1973) 2204-2210 |
|
Nouvelles donnes structurales sur la variete ferroelectrique du |
|
metaniobate de plomb PbNb2O6 |
|
_cod_database_code 1001032 |
|
_database_code_amcsd 0009487 |
|
17.65 17.92 3.870 90 90 90 Cm2m |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Nb2 0 .5004 0 |
|
Nb3 .1807 .1095 0 |
|
Nb4 .318 .3935 0 |
|
Nb5 .3942 .1802 0 |
|
Nb6 .110 .3198 0 |
|
Pb1 .3278 .0282 .5 |
|
Pb2 .0062 .1970 .5 .5 |
|
Pb3 .4832 .3452 .5 .5 |
|
Pb4 .2549 .2504 .5 .5 |
|
O1 0 0 .5 |
|
O2 0 .5 .5 |
|
O3 .151 .110 .5 |
|
O4 .299 .395 .5 |
|
O5 .402 .182 .5 |
|
O6 .119 .297 .5 |
|
O7 .083 .092 0 |
|
O8 .139 .213 0 |
|
O9 .221 .001 0 |
|
O10 .279 .135 0 |
|
O11 .417 .073 0 |
|
O12 .081 .427 0 |
|
O13 .209 .334 0 |
|
O14 .331 .281 0 |
|
O15 .433 .390 0 |
|
O16 .5 .235 0 |
|
O17 0 .252 0 |
|
|
| 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. |
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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 |
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Nb2 .1252 -.0005 .25 |
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Nb3 .0353 .6100 .25 |
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Nb4 .2149 .6106 .25 |
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Nb5 .0338 .3940 .25 |
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Nb6 .2160 .3949 .25 |
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Nb7 .0716 .1792 .25 |
|
Nb8 .1778 .1865 .25 |
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Nb9 .0698 .8219 .25 |
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Nb10 .1804 .8212 .25 |
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Pb1 .0385 .0235 0 |
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Pb2 .0395 .0297 .5 |
|
Pb3 .2095 .0335 0 |
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Pb4 .2128 .0182 .5 |
|
Pb5 .1274 .6999 0 |
|
Pb6 .1303 .6902 .5 |
|
Pb7 .1301 .3449 .5 |
|
Pb8 .1173 .3438 0 |
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Pb9 .0017 .2482 0 .5 |
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Pb10 .2477 .2486 0 .5 |
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Pb11 .0010 .2497 .5 .5 |
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Pb12 .2481 .2489 .5 .5 |
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O1 .1128 .4837 0 |
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O2 .3672 -.0095 0 |
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O3 .1421 -.0071 0 |
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O4 .3870 .4945 0 |
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O5 .4607 .1001 .5 |
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O6 .4751 .1039 0 |
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O7 .2762 .0964 .5 |
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O8 .2912 .1121 0 |
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O9 .0410 .3837 0 |
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O10 .0288 .4062 .5 |
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O11 .2264 .3851 0 |
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O12 .2038 .3734 .5 |
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O13 .0736 .2064 0 |
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O14 .0660 .1515 .5 |
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O15 .1749 .1677 0 |
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O16 .1854 .1777 .5 |
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O17 .4276 .2978 .5 |
|
O18 .4269 .3122 0 |
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O19 .3304 .3135 .5 |
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O20 .3193 .2863 0 |
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O21 .4113 .0708 .2174 |
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O22 .3389 .0753 .2707 |
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O23 .4463 .2128 .2089 |
|
O24 .3042 .2129 .2740 |
|
O25 .0139 .4963 .2193 |
|
O26 .2347 .4911 .2690 |
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O27 .0172 .1299 .2336 |
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O28 .2318 .1403 .2055 |
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O29 .0856 .0702 .2312 |
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O30 .1619 .0726 .2848 |
|
O31 .1268 .2127 .2805 |
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O32 .377 .2742 .2426 |
|
O33 .4110 .4187 .2839 |
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O34 .3401 .4255 .2050 |
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O35 .4836 .3492 .2739 |
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O36 .2703 .3430 .2745 |
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O37 .0509 .2695 .2979 |
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O38 .2000 .2816 .2504 |
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O39 .0851 .4048 .2808 |
|
O40 .1612 .4113 .2207 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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. |
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I. Analyse structurale des bronzes de composition M0.30WO3. |
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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 |
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O1 .2149 .4224 .25 |
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O2 0 .4769 .0009 .5 |
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Rb1 0 0 0 .85 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 |
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O1 .2118 .4200 .25 |
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O2 0 .4635 -.0020 .5 |
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Tl1 0 0 .0307 .45 |
|
|
| Download AMC data (View Text File)
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|
| |
|
In0.3 O3 W |
| |
Labbe P, Goreaud M, Raveau B, Monier J |
|
Acta Crystallographica B34 (1978) 1433-1438 |
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Etude comparative des structures Mx W O3 de type bronze hexagonal. I. |
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Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie |
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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 |
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O1 .2139 .4214 .2186 .5 |
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O2 0 .4673 -.0012 .5 |
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In1 0 0 .0606 .18 |
|
In2 0 .0664 0 .09 |
|
|
| Download AMC data (View Text File)
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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. |
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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 |
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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 |
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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 |
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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 |
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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 |
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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
|
| |
|
In0.31 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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|
| |
|
CuHgClSe |
| |
Guillo M, Mercey B, Labbe P, Deschanvres A |
|
Acta Crystallographica B36 (1980) 2520-2523 |
|
The Structure of Copper(I) Mercury(II) Chloride Selenide |
|
_cod_database_code 1001109 |
|
_database_code_amcsd 0009717 |
|
6.9444 12.7561 4.2526 90 90 90 Pbam |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 .10824 .26060 0 .0086 .0030 .0373 .0015 0 0 |
|
Se1 .3394 .1118 0 .0074 .0016 .0263 -.0002 0 0 |
|
Cu1 .2445 .0461 .5 .0432 .0035 .0355 -.0058 0 0 |
|
Cl1 .3545 .3767 .5 .0111 .0019 .0340 .0009 0 0 |
|
|
| 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 |
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P1 .4316 .4062 .1456 .5 |
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P2 .4317 .5936 .1450 .5 |
|
W1 .15094 .48884 .21246 |
|
W2 .35917 .53926 .32722 |
|
W3 .25863 .47253 .52189 |
|
W4 .05192 .50512 .40526 |
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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 |
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O8 .3215 .5537 .4221 .5 |
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O9 .3769 .4535 .0766 .5 |
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O10 .3766 .05472 .0778 .5 |
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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 |
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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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|
| |
|
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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|
| |
|
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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View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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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|
| |
|
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
|
| |
|
P4W24O80 |
| |
Roussel P, Mather G, Domenges B, Groult D, Labbe P |
|
Acta Crystallographica B54 (1998) 365-375 |
|
Structural investigation of P4W24O80: A new monophosphate tungsten bronze |
|
_cod_database_code 1001821 |
|
_database_code_amcsd 0009905 |
|
5.312 6.5557 42.196 90 90 90 P2_12_12_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .2431 .4272 .69885 .0084 .0081 .005773 .0055 -.0043 -.00256 |
|
W2 .251 .0996 .62523 .0092 .0075 .007036 .0045 -.0056 -.00156 |
|
W3 .2526 .7578 .55324 .0110 .0099 .008389 -.002 .0042 -.00233 |
|
W4 .2622 .4137 .48215 .0051 .0115 .008840 .0011 -.00503 -.00196 |
|
W5 .7626 .4299 .58941 .0099 .0088 .007397 -.0026 .00597 -.00101 |
|
W6 .7592 .7693 .66258 .0093 .0066 .006494 -.0027 .0019 -.00130 |
|
P1 .762 .1144 .7243 |
|
O1 .73 .058 .7590 |
|
O2 .547 .263 .7170 |
|
O3 .025 .211 .7193 |
|
O4 -.022 .566 .6888 |
|
O5 .477 .609 .6837 |
|
O6 .26 .258 .6649 |
|
O7 .537 .946 .6466 |
|
O8 .038 .902 .6487 |
|
O9 .469 .269 .6064 |
|
O10 -.036 .244 .6166 |
|
O11 .269 -.066 .5920 |
|
O12 .547 .626 .5735 |
|
O13 .043 .564 .5744 |
|
O14 .475 .935 .5321 |
|
O15 -.037 .898 .5412 |
|
O16 .233 .591 .5181 |
|
O17 .542 .281 .4988 |
|
O18 .772 .256 .5556 |
|
O19 .778 .582 .6302 |
|
O20 .726 -.086 .7044 |
|
|
| 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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|
| |
|
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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|
| |
|
(NH4)2(VO)(VP)O7 |
| |
Boudin S, Grandin A, Labbe P, Raveau B |
|
Acta Crystallographica C52 (1996) 2668-2670 |
|
(NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups |
|
_cod_database_code 1001731 |
|
_database_code_amcsd 0010309 |
|
8.6233 8.6233 5.6384 90 90 90 P4bm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P1 .36969 .13031 .06353 .51 .011 .011 .0068 -.004 .0000 .0000 |
|
V1 .36969 .13031 .06353 .49 .0076 .0076 .025 -.0004 -.0059 .0059 |
|
V2 0 0 .0593 .0108 .0108 .0183 0 0 0 |
|
O1 .5 .5 .3436 .030 .030 .023 0 0 0 |
|
O2 .3699 .1301 .3440 .0229 .0229 .020 .0038 .0003 -.0003 |
|
O3 .7019 .4169 -.0402 .0134 .031 .034 .0065 -.0008 -.0097 |
|
O4 .5 0 -.035 .059 .059 .017 -.016 0 0 |
|
N1 .1701 .3299 .585 .049 .049 .029 .026 .000 .000 |
|
|
| Download AMC data (View Text File)
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|
| |
|
MnFeF5(H2O)2 |
| |
Laligant Y, Pannetier J, Leblanc M, Labbe P, Heger G, Ferey G |
| |
Zeitschrift fur Kristallographie 181 (1987) 1-10 |
|
Crystal structure refinement of the inverse weberite MnFeF5(H2O)2 |
|
_cod_database_code 1000227 |
|
_database_code_amcsd 0010976 |
|
7.5635 10.901 6.7319 90 90 90 Imma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 0 0 0 .0105 .0115 .0152 0 0 -.0033 |
|
Fe1 .25 .25 .25 .0073 .0075 .0113 0 -.0008 0 |
|
F1 .2924 .1252 .4444 .0167 .0175 .0229 .0043 .0021 .0088 |
|
F2 0 .25 .3237 .0076 .0210 .0215 0 0 0 |
|
O1 .5 .5711 .2000 .0220 .0443 .0177 0 0 .0075 |
|
H1 .080 .096 .650 |
|
|
| 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 |
|
_cod_database_code 1001415 |
|
_database_code_amcsd 0010984 |
|
12.999 12.999 12.999 90 90 90 Pa3 |
|
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 |
|
Hg2 .04322 .01333 .26386 .0355 .0344 .0231 -.0006 .0076 .0115 |
|
As1 .10819 .10819 .10819 .0161 .0161 .0161 .0046 .0046 .0046 |
|
As2 .44637 .44637 .44637 .0139 .0139 .0139 .0004 .0004 .0004 |
|
I1 .18518 .43990 .25788 .0161 .0174 .0266 -.0004 -.0012 .0008 |
|
|
| 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
|
| |
|
Ba Co O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 903-907 |
|
Les pyrophosphates A(II)x M P2 O7: Synthese et etude structurale |
|
de Ba Co P2 O7 et Ba Ni P2 O7 |
|
_cod_database_code 1001375 |
|
_database_code_amcsd 0012302 |
|
5.3230 7.5799 7.1174 101.217 84.191 89.319 P-1 |
|
atom x y z |
|
Ba1 .2135 .06964 .22740 |
|
Co1 .1983 .6043 .3744 |
|
P1 .7096 .4047 .1849 |
|
P2 .7070 .7911 .2713 |
|
O1 .933 .8033 .3895 |
|
O2 .463 .7990 .3968 |
|
O3 .715 .9313 .1503 |
|
O4 .733 .5964 .1269 |
|
O5 .103 .5941 .662 |
|
O6 .778 .267 .007 |
|
O7 .558 .6027 .727 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca Co O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 1751-1756 |
|
Les pyrophosphates A(II)x M P2 O7: Synthese et etude structurale |
|
de Ba Co P2 O7 et Ba Ni P2 O7 |
|
_cod_database_code 1001374 |
|
_database_code_amcsd 0012303 |
|
6.5476 6.5441 6.5743 66.407 83.264 87.579 P-1 |
|
atom x y z |
|
Ca1 .12125 .79788 .73522 |
|
Co1 .35252 .22913 .89645 |
|
P1 .65607 .67868 .63701 |
|
P2 .14190 .74041 .23083 |
|
O1 .0590 .8592 .3759 |
|
O2 .3143 .8665 .0487 |
|
O3 .7372 .7458 .7893 |
|
O4 .3760 .1505 .6006 |
|
O5 .5843 .4227 .2534 |
|
O6 .9779 .6759 .1204 |
|
O7 .7603 .4790 .6033 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe K O7 P2 |
| |
Riou D, Labbe P, Goreaud M |
| |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 215-229 |
|
The diphosphate K Fe P2 O7: Structure and possibilities for |
|
insertion in the host framework |
|
_cod_database_code 1001388 |
|
_database_code_amcsd 0012518 |
|
7.3523 9.9875 8.1872 90 106.498 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .17883 .32022 .05316 .0200 .0235 .0189 .0022 .0026 .0005 |
|
Fe1 .23569 .59970 .76013 .0085 .00642 .0087 -.0003 .00230 .0002 |
|
P1 .44168 .63697 .19028 .0079 .0070 .0096 .0003 .0029 -.0005 |
|
P2 .13360 .90456 .82991 .0093 .0073 .0086 .0010 .0034 .0001 |
|
O1 .3403 .5595 .3131 .0113 .0121 .0181 .0024 .0060 .0062 |
|
O2 .0814 .7340 .2540 .0120 .0068 .0199 -.003 .0044 .0004 |
|
O3 .6399 .5795 .2316 .0102 .0109 .0245 .0026 .0070 -.0013 |
|
O4 .1458 .5893 .5141 .0226 .0258 .0083 -.0104 .0052 -.0021 |
|
O5 .3213 .6075 .0123 .0212 .0199 .0103 .0004 .0002 -.0034 |
|
O6 0 .4934 .2223 .0136 .0092 .0118 -.0039 .0047 -.0023 |
|
O7 .4521 .7839 .2412 .0101 .0069 .0205 -.0009 .0044 -.0029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 |
| |
Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367 |
|
The crystal structure of the cadmium derivative 1212 lead cuprate (Pb, |
|
Cd)Sr2YCu2O7 |
|
_cod_database_code 1001518 |
|
_database_code_amcsd 0012568 |
|
3.8108 3.8108 11.927 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 0 .56 .0405 .0405 .0073 0 0 0 |
|
Cd1 0 0 0 .26 .0405 .0405 .0073 0 0 0 |
|
Y1 .5 .5 .5 .91 .0061 .0061 .0115 0 0 0 |
|
Sr1 .5 .5 .5 .09 .0061 .0061 .0115 0 0 0 |
|
Sr2 .5 .5 .2091 .0125 .0125 .0139 0 0 0 |
|
Cu1 0 0 .3614 .0046 .0046 .0128 0 0 0 |
|
O1 0 .5 .3782 .012 .003 .024 0 0 0 |
|
O2 0 0 .168 .017 .017 .025 0 0 0 |
|
O3 .36 .5 0 .25 .08 .03 .03 0 0 0 |
|
Cd2 0 .190 0 .0175 |
|
Cu2 0 .190 0 .0275 |
|
|
| Download AMC data (View Text File)
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| |
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Bi2 Fe2 O11 Sr2.591 |
| |
Perez O, Leligny H, Grebille D, Labbe P, Groult D, Raveau B |
| |
Journal of Physics: Condensed Matter 7 (1995) 10003-10014 |
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X-ray investigation of the incommensurate modulated structure of |
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Bi2+xSr3-xFe2O9+d |
|
_cod_database_code 1001709 |
|
_database_code_amcsd 0013280 |
|
5.488 5.475 31.50899 90 90 90 Fmmm |
|
atom x y z occ |
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Bi1 .0221 0 .2028 .5 |
|
Sr1 .5 0 .1176 .7955 |
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Sr2 .5 0 0 |
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Fe1 0 0 .0607 |
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O1 .25 .25 .0668 |
|
O2 0 0 .1389 |
|
O3 0 0 0 |
|
O4 .6917 0 .1973 |
|
|
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|
| |
|
Tl2W4O13 |
| |
Goreaud M, Labbe P, Monier J, Raveau B |
| |
Journal of Solid State Chemistry 30 (1979) 311-319 |
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The thallium tungstate Tl2W4O13 : A tunnel structure related to |
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the hexagonal tungsten bronze |
|
_cod_database_code 1001080 |
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_database_code_amcsd 0013371 |
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7.327 37.864 3.840 90 90 90 Pmab |
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atom x y z occ |
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Tl1 .25 .00440 .0586 |
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W1 .25 .16574 .3845 |
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Tl2 .2155 .33484 -.0249 .5 |
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W2 .5059 .08219 .5095 |
|
W3 .5 .25 .5248 |
|
O1 .25 .0711 .4261 |
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O2 .0547 .1328 .5191 .5 |
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O3 .0730 .1318 .3691 .5 |
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O4 -.0508 .0374 .5137 .5 |
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O5 -.0611 .0367 .3682 .5 |
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O6 .0760 .2031 .5360 .5 |
|
O7 .0740 .2047 .3733 .5 |
|
O8 .25 .2655 .4277 |
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O9 .25 .3983 .4516 |
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O10 .1933 .1694 -.0806 .5 |
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O11 .4889 .0953 -.0157 .5 |
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O12 .5096 .0793 -.0157 .5 |
|
O13 .4883 .2414 -.0448 .5 |
|
|
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|
| |
|
O38 P4 W10 |
| |
Benmoussa A, Labbe P, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 318-325 |
|
Mixed Valence Tungsten Oxides with a Tunnel Structure, |
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P4W4nO12n+8: A Nonintegral Member P4 W10 O38 (n=2.5) |
|
_cod_database_code 1001234 |
|
_database_code_amcsd 0013493 |
|
6.5656 5.2850 20.573 90 96.18 90 P2_1 |
|
atom x y z |
|
W1 .5392 .25 .10908 |
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W2 .4714 .2585 .38890 |
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W3 .1785 .2575 .53569 |
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W4 .8898 .2587 .68304 |
|
W5 .1496 .2471 .96227 |
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P1 .7874 .2596 .2641 |
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P2 .7468 .2300 .8402 |
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O1 .3552 .2311 .0349 |
|
O2 .7008 .2347 .1948 |
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O3 .6067 .2413 .3080 |
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O4 .3175 .2302 .4605 |
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O5 .6850 .5154 .0854 |
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O6 .7092 .0214 .0754 |
|
O7 .3580 .4722 .1547 |
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O8 .3839 .9578 .1404 |
|
O9 .9355 .0437 .2805 |
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O10 .9066 .5097 .2728 |
|
O11 .6254 .5303 .4208 |
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O12 .6665 .0403 .4278 |
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O13 .3123 -.0184 .3523 |
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O14 .2600 .4809 .3420 |
|
O15 .9812 .4664 .4948 |
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O16 .9565 .2383 .8802 |
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O17 .7794 .2702 .7695 |
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O18 .0332 .2546 .6131 |
|
O19 -.0067 .4641 .0041 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K0.4 O16 P2 W4 |
| |
Giroult J, Goreaud M, Labbe P, Raveau B |
| |
Journal of Solid State Chemistry 44 (1982) 407-414 |
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Kx P2 W2 O16: A Bronze with a Tunnel Structure Built up from P |
|
O4 Tetrahedra and W O6 Octahedra |
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_cod_database_code 1001233 |
|
_database_code_amcsd 0013494 |
|
6.6702 5.3228 8.9091 90 100.546 90 P2_1/m |
|
atom x y z occ |
|
K1 .138 .25 -.0001 .21 |
|
P1 .7113 .25 .1296 |
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W1 .13897 .25 .41163 |
|
W2 .56375 .25 .74928 |
|
O1 .2827 -.0026 .3119 |
|
O2 .3643 .25 .5764 |
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O3 0 0 .5 |
|
O4 -.072 .25 .2223 |
|
O5 .7344 .25 .9608 |
|
O6 .3982 -.013 .8368 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ge2 Nd2 O7 |
| |
Vetter G, Queyroux F, Labbe P, Goreaud M |
| |
Journal of Solid State Chemistry 45 (1982) 293-302 |
|
Determination structurale de Nd2 Ge2 O7 |
|
_cod_database_code 1001254 |
|
_database_code_amcsd 0013499 |
|
37.6093 6.9222 6.9234 91.456 90.728 95.150 P-1 |
|
atom x y z |
|
Nd1 .04612 .36790 .38006 |
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Nd2 .04482 .66242 .88878 |
|
Nd3 .13044 .15101 .45431 |
|
Nd4 .13053 .64378 .18877 |
|
Nd5 .20613 .82311 .55574 |
|
Nd6 .19696 .28901 .87859 |
|
Nd7 .29927 .17178 .14453 |
|
Nd8 .29343 .67374 .40766 |
|
Nd9 .36794 .84085 .81042 |
|
Nd10 .37106 .34184 .54198 |
|
Nd11 .45589 .81675 .10985 |
|
Nd12 .45374 .11419 .61792 |
|
Ge1 .04091 .85084 .37640 |
|
Ge2 .03049 .19004 .86932 |
|
Ge3 .10603 .13137 .99580 |
|
Ge4 .12940 .62243 .66392 |
|
Ge5 .21058 .33683 .34853 |
|
Ge6 .22349 .82503 .04686 |
|
Ge7 .27897 .55281 .90225 |
|
Ge8 .29088 .15760 .65071 |
|
Ge9 .37276 .86681 .33492 |
|
Ge10 .39222 .35227 .00286 |
|
Ge11 .46819 .29521 .12579 |
|
Ge12 .46012 .63940 .62801 |
|
O1 .0077 .9447 .2294 |
|
O2 .0229 .6996 .5603 |
|
O3 .0168 .3296 .0605 |
|
O4 .0637 .0241 .9120 |
|
O5 .0648 .0568 .4531 |
|
O6 .0426 .3717 .7035 |
|
O7 .0606 .6841 .2286 |
|
O8 .1239 .9734 .1533 |
|
O9 .1404 .8208 .5117 |
|
O10 .1056 .6787 .8716 |
|
O11 .1070 .4638 .4890 |
|
O12 .0931 .3298 .1365 |
|
O13 .1348 .1933 .8035 |
|
O14 .2089 .9666 .8675 |
|
O15 .1928 .7785 .2184 |
|
O16 .1691 .5564 .7275 |
|
O17 .1698 .3747 .2262 |
|
O18 .1938 .1813 .5253 |
|
O19 .2337 .6036 .9105 |
|
O20 .2352 .5408 .4542 |
|
O21 .2354 .2295 .1752 |
|
O22 .2664 .2975 .8161 |
|
O23 .2664 .8683 .1347 |
|
O24 .2673 .9599 .5513 |
|
O25 .3008 .5077 .1166 |
|
O26 .3075 .3178 .4660 |
|
O27 .3300 .9329 .2788 |
|
O28 .3073 .6821 .7487 |
|
O29 .3277 .1117 .7895 |
|
O30 .3675 .3009 .1962 |
|
O31 .3760 .5075 .8376 |
|
O32 .3609 .6679 .4817 |
|
O33 .3959 .8132 .1327 |
|
O34 .4034 .1559 .8641 |
|
O35 .3928 .0240 .5093 |
|
O36 .4348 .4295 .5530 |
|
O37 .4374 .4612 .0866 |
|
O38 .4378 .8049 .7730 |
|
O39 .4781 .7885 .4491 |
|
O40 .4938 .5610 .7816 |
|
O41 .4546 .1154 .2762 |
|
O42 .4818 .1594 .9280 |
|
|
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|
| |
|
Fe Na O7 P2 |
| |
Gabelica-Robert M, Goreaud M, Labbe P, Raveau B |
| |
Journal of Solid State Chemistry 45 (1982) 389-395 |
|
The pyrophosphate Na Fe P2 O7: A cage structure |
|
_cod_database_code 1001846 |
|
_database_code_amcsd 0013500 |
|
7.3244 7.9045 9.5745 90 111.858 90 P2_1/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 .28768 .47768 .29340 .01897 .02535 .02517 .00226 .01272 .01093 |
|
Fe1 .25959 .00883 .24937 .00454 .00411 .00334 -.00020 .00185 -.00031 |
|
P1 .07355 .25412 .45559 .00389 .00399 .00288 .00032 .00163 -.00031 |
|
P2 .67295 .21144 .45472 .00405 .00437 .00320 -.00041 .00146 .00061 |
|
O1 .87705 .15348 .44124 .00446 .00620 .01221 -.00020 .00419 .00100 |
|
O2 .18939 .28450 .62093 .01294 .00643 .00413 .00023 .00028 -.00188 |
|
O3 .01146 .41546 .36353 .00606 .00608 .00752 .00108 .00178 .00322 |
|
O4 .18136 .13467 .39169 .01294 .00953 .00896 .00375 .00806 -.00119 |
|
O5 .53313 .08587 .35008 .00530 .00918 .00864 -.00326 .00153 -.00330 |
|
O6 .69212 .20154 .61750 .01291 .00665 .00390 .00064 .00398 .00153 |
|
O7 .63560 .39363 .39793 .00932 .00541 .00864 .00185 .00554 .00337 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K O67 P4 W20 |
| |
Labbe P, Ouachee D, Goreaud M, Raveau B |
| |
Journal of Solid State Chemistry 50 (1983) 163-172 |
|
Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of |
|
the Series - K P8 W40 O136 |
|
_cod_database_code 1001845 |
|
_database_code_amcsd 0013513 |
|
19.58899 3.7681 16.96999 90 91.864 90 P2/c |
|
atom x y z occ |
|
W1 .19986 .4614 .29495 |
|
W2 .45919 .4866 .39891 |
|
W3 .28959 .5366 .49615 |
|
W4 .37252 .5188 .19903 |
|
W5 .11661 .5449 .09010 |
|
K1 0 .0070 .25 .25 |
|
P1 .0554 .396 .3980 .5 |
|
P2 .0542 .600 .3979 .5 |
|
O1 .147 .460 .190 .5 |
|
O2 .139 .582 .192 .5 |
|
O3 .2779 .472 .2444 |
|
O4 .231 .435 .393 .5 |
|
O5 .237 .581 .393 .5 |
|
O6 .102 .425 .338 .5 |
|
O7 .105 .585 .340 .5 |
|
O8 .3691 .501 .446 |
|
O9 .325 .444 .095 .5 |
|
O10 .328 .589 .093 .5 |
|
O11 .1968 .490 .045 |
|
O12 .4553 .474 .1505 |
|
O13 .411 .444 .298 .5 |
|
O14 .411 .596 .298 .5 |
|
O15 .0177 .480 .1263 |
|
O16 .075 .40 .478 .5 |
|
O17 .070 .580 .481 .5 |
|
O18 .5 .5 0 .5 |
|
O19 .196 -.005 .303 .5 |
|
O20 .180 -.003 .278 .5 |
|
O21 .463 -.001 .406 .5 |
|
O22 .449 -.010 .388 .5 |
|
O23 .283 .007 .505 .5 |
|
O24 .278 .003 .477 .5 |
|
O25 .366 .002 .182 .5 |
|
O26 .367 .005 .210 .5 |
|
O27 .120 .009 .098 .5 |
|
O28 .096 .017 .078 .5 |
|
O29 .070 -.010 .413 .25 |
|
O30 .050 -.017 .366 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K1.4 O50 P4 W14 |
| |
Domenges B, Goreaud M, Labbe P, Raveau B |
| |
Journal of Solid State Chemistry 50 (1983) 173-179 |
|
K1.4 P4 W14 O50: An Odd-m Member (m=7) of the Monophosphate |
|
Tungsten Bronze Series Kx P4 O8 (W O3)2m |
|
_cod_database_code 1001252 |
|
_database_code_amcsd 0013514 |
|
6.660 5.3483 27.06 90 97.20 90 A2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .363 0 .2498 .35 |
|
P1 .1970 .5 .2928 |
|
W1 0 0 0 .0039 .0030 .0050 0 -.0012 0 |
|
W2 .70062 .5 .05464 .0038 .0029 .0043 0 -.00128 0 |
|
W3 .40226 0 .11184 .0036 .0027 .0037 0 -.00119 0 |
|
W4 .09390 .5 .16777 .0041 .0027 .0032 0 -.00137 0 |
|
O1 .5 .5 0 |
|
O2 .846 .249 .0278 |
|
O3 .197 0 .0602 |
|
O4 .546 .253 .0885 |
|
O5 .906 .5 .1137 |
|
O6 .25 .253 .1488 |
|
O7 .592 0 .1767 |
|
O8 .920 .238 .1977 |
|
O9 .237 .5 .2383 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cs O40 P8 W8 |
| |
Goreaud M, Labbe P, Raveau B |
| |
Journal of Solid State Chemistry 56 (1985) 41-48 |
|
Cs P8 W8 O40: A diphosphate tungsten bronze with octagonal tunnels |
|
_cod_database_code 1001331 |
|
_database_code_amcsd 0013534 |
|
13.061 12.319 5.2960 90 90 90 Pcmn |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cs1 .2982 .75 .245 .25 .0158 .124 .026 0 .003 0 |
|
W1 .15299 .10007 .25565 .00340 .00316 .00336 -.00021 -.0002 .00008 |
|
P1 .01997 .62987 .2338 .0045 .0038 .0045 .0007 .0003 .0010 |
|
O1 .2600 .4189 .4855 .006 .008 .006 -.0007 .002 .001 |
|
O2 .0538 .3850 .552 .011 .012 .014 -.0002 -.008 .002 |
|
O3 .0282 .3818 .0250 .008 .016 .008 -.0001 .004 -.002 |
|
O4 .1684 .25 .255 .008 .006 .00 0 -.003 0 |
|
O5 .1155 .5616 .260 .007 .006 .011 .0021 .001 .001 |
|
O6 .0654 .75 .253 .009 .005 .014 0 -.004 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
P4W12O44 |
| |
Labbe P, Goreaud M, Raveau B |
| |
Journal of Solid State Chemistry 61 (1986) 324-331 |
|
Monophosphate tungsten bronzes with pentagonal tunnels (PO2)4(WO3)2m: |
|
Structure of two even-m members P4W12O44 (m=6) and P4W16O56 (m=8) |
|
_cod_database_code 1001335 |
|
_database_code_amcsd 0013572 |
|
5.2927 6.5604 23.549 90 90 90 P2_12_12_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .2439 .58394 -.03053 .0060 .0055 .0053 .0003 .0001 .0003 |
|
W2 .2595 .76049 -.40333 .0050 .0044 .0059 -.0003 -.0001 -.0005 |
|
W3 .2446 .92212 -.15928 .0042 .0040 .0049 -.0004 -.0001 .0000 |
|
P1 .2682 .1172 -.2952 |
|
O1 .748 .258 -.4021 |
|
O2 .742 .086 -.0342 |
|
O3 .739 .426 -.1669 |
|
O4 .522 .068 -.1384 |
|
O5 .022 .107 -.1297 |
|
O6 .221 .053 -.2338 |
|
O7 -.041 .439 -.0618 |
|
O8 -.026 .273 -.5039 |
|
O9 .054 .261 -.3112 |
|
O10 .525 .219 -.3023 |
|
O11 .461 .397 -.0710 |
|
|
| Download AMC data (View Text File)
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|
| |
|
P4W16O56 |
| |
Labbe P, Goreaud M, Raveau B |
| |
Journal of Solid State Chemistry 61 (1986) 324-331 |
|
Monophosphate tungsten bronzes with pentagonal tunnels (PO2)4(WO3)2m: |
|
Structure of two even-m members P4W12O44 (m=6) and P4W16O56 (m=8) |
|
_cod_database_code 1001336 |
|
_database_code_amcsd 0013573 |
|
5.2943 6.5534 29.700 90 90 90 P2_12_12_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .2567 .4119 .02580 .0106 .0088 .0067 .0007 -.0005 .0024 |
|
W2 .2601 .0696 .12794 .0071 .0060 .0062 .0018 .0000 .0017 |
|
W3 .7531 .7440 .07507 .0097 .0080 .0063 .0008 .0000 .0024 |
|
W4 .7548 .4097 .17830 .0057 .0047 .0038 .0004 .0001 .0004 |
|
P1 .734 .2163 .2866 |
|
O1 .256 .245 .0797 |
|
O2 .240 .075 .3708 |
|
O3 .241 .420 .4736 |
|
O4 .767 .280 .2378 |
|
O5 .754 .409 .3153 |
|
O6 .042 .225 -.0038 |
|
O7 .480 .264 .1616 |
|
O8 -.052 .074 .2995 |
|
O9 .456 .440 .3909 |
|
O10 .030 .056 .4519 |
|
O11 -.026 .222 .1548 |
|
O12 .471 .118 .2914 |
|
O13 -.041 .386 .3979 |
|
O14 .536 .108 .4442 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe2F5(H2O)2 |
| |
Laligant Y, Pannetier J, Labbe P, Ferey G |
| |
Journal of Solid State Chemistry 62 (1986) 274-277 |
|
A new refinement of the crystal structure of the inverse Weberite Fe2F5(H2O)2 |
|
_cod_database_code 1000402 |
|
_database_code_amcsd 0013578 |
|
7.477 10.862 6.652 90 90 90 Imma |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 0 0 0 .0081 .0103 .0172 0 0 -.0031 |
|
Fe2 .25 .25 .25 .0057 .0075 .0151 0 -.0012 0 |
|
F1 .2024 .1252 .0544 .0121 .0167 .0273 -.0044 .0015 -.0083 |
|
F2 0 .25 .3343 .0061 .0201 .0205 0 0 0 |
|
O1 .5 .5690 .2034 .0205 .0354 .0154 0 0 .0059 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na1.7 O50 P4 W14 |
| |
Lamire M, Labbe P, Goreaud M, Raveau B |
| |
Journal of Solid State Chemistry 66 (1987) 64-72 |
|
Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten |
|
bronze series A(x)(P O2)4 (W O3)2m |
|
_cod_database_code 1001627 |
|
_database_code_amcsd 0013590 |
|
6.575 5.304 27.07599 89.62 96.17 90.26 A-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 0 0 0 .0040 .00430 .00407 -.00014 .00097 .00040 |
|
W2 .69794 .49951 .054470 .00361 .00384 .00346 -.00008 .00066 .00016 |
|
W3 .39771 .99115 .111450 .00340 .00389 .00318 .00016 .00042 .00012 |
|
W4 .08628 .49454 .167630 .00375 .00387 .00265 .00005 .00071 .00007 |
|
P1 .2046 .5227 .29191 |
|
O1 .192 -.006 .0597 |
|
O2 .5 .5 0 |
|
O3 .8225 .7865 .0327 |
|
O4 .8654 .2810 .0237 |
|
O5 .5209 .7085 .0927 |
|
O6 .5639 .2117 .0834 |
|
O7 .901 .495 .1139 |
|
O8 .2204 .7774 .1523 |
|
O9 .2654 .2775 .1459 |
|
O10 .585 0 .1779 |
|
O11 .25 .490 .2380 |
|
O12 .1208 .792 .2965 |
|
O13 .055 .316 .3042 |
|
Na1 .330 .012 .2368 .425 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 O112 P8 W32 |
| |
Lamire M, Labbe P, Goreaud M, Raveau B |
| |
Journal of Solid State Chemistry 71 (1987) 342-348 |
|
Ba2 P8 W32 O112: Structural study in comparison with the K and Rb |
|
diphosphate tungsten bronzes with hexagonal tunnels |
|
_cod_database_code 1001724 |
|
_database_code_amcsd 0013605 |
|
17.90999 7.480 17.06059 90 114.739 90 A2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .5 .071 .008 .016 0 .022 0 |
|
W1 .25747 .2491 .35697 .0038 .0040 .0040 -.0016 .0026 .0001 |
|
W2 .35709 .2477 .60271 .0035 .0099 .0029 -.001 .0021 -.0013 |
|
W3 .14923 .2509 .61269 .0054 .0027 .0058 -.001 .0037 .0004 |
|
W4 .05191 .2505 .37058 .0067 .0023 .0076 .000 .0048 .0000 |
|
P1 .4346 .2020 .3261 |
|
O1 .2605 .230 .6063 |
|
O2 .271 0 .357 |
|
O3 .279 .5 .383 |
|
O4 .055 .5 .361 |
|
O5 .056 0 .381 |
|
O6 .432 0 .342 |
|
O7 .4791 .224 .1151 |
|
O8 .1638 .234 .3700 |
|
O9 .326 .228 .490 |
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O10 .169 0 .131 |
|
O11 .150 .5 .110 |
|
O12 .362 .5 .602 |
|
O13 .382 0 .626 |
|
O14 .0525 .233 .1247 |
|
O15 .3772 .285 .362 |
|
O16 .2152 .277 .243 |
|
O17 .413 .216 .236 |
|
O18 .103 .281 .495 |
|
O19 0 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
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Cu Nd O3.56 Sr |
| |
Labbe P, Ledesert M, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 362-369 |
|
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
|
Nd1.8Sr1.2Cu2O6-delta |
|
_cod_database_code 1001479 |
|
_database_code_amcsd 0013710 |
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3.7431 3.7431 12.839 90 90 90 I4/mmm |
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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) |
|
Nd1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
|
Sr1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
|
Cu1 0 0 0 .0112 .0112 .0086 0 0 0 |
|
O1 0 .5 0 .86 .06 .007 .032 0 0 0 |
|
O2 0 0 .172 .92 .037 .037 .035 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
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Cu2 Nd1.79 O6 Sr1.21 |
| |
Labbe P, Ledesert M, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 362-369 |
|
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
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Nd1.8Sr1.2Cu2O6-delta |
|
_cod_database_code 1001480 |
|
_database_code_amcsd 0013711 |
|
3.8365 3.8365 19.652 90 90 90 I4/mmm |
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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) |
|
Nd1 0 0 0 .75 .0068 .0068 .0040 0 0 0 |
|
Sr1 0 0 0 .25 .0068 .0068 .0040 0 0 0 |
|
Nd2 0 0 .18025 .52 .0144 .0144 .0091 0 0 0 |
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Sr2 0 0 .18025 .48 .0144 .0144 .0091 0 0 0 |
|
Cu1 0 0 .5916 .0060 .0060 .011 0 0 0 |
|
O1 0 .5 .0817 |
|
O2 0 0 .701 |
|
|
| Download AMC data (View Text File)
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|
| |
|
La5Mo4O16 |
| |
Ledesert M, Labbe P, McCarroll W, Leligny H, Raveau B |
| |
Journal of Solid State Chemistry 105 (1993) 143-150 |
|
La5Mo4O16: a new structural type related to perovskite |
|
with extremely short Mo-Mo bonds |
|
_cod_database_code 1001567 |
|
_database_code_amcsd 0013781 |
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7.9638 7.9958 10.3345 90 95.067 90 C2/m |
|
atom x y z occ |
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La1 .27297 .24497 .21054 |
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La2 0 0 .5 |
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Mo1 0 0 0 |
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Mo2 .5 0 0 |
|
Mo3 .56078 0 .39747 |
|
O1 .0375 .2630 .3585 |
|
O2 .2863 .5 .3263 |
|
O3 .3087 0 .4314 |
|
O4 .4601 0 .1889 |
|
O5 .0729 0 .1740 |
|
O6 .046 .25 0 .5 |
|
O7 .246 .967 .9574 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O9 P2 Sr V2 |
| |
Boudin S, Grandin A, Labbe P, Provost J, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 325-330 |
|
The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: |
|
structure and magnetism |
|
_cod_database_code 1001748 |
|
_database_code_amcsd 0013913 |
|
14.220 6.5138 7.5166 90 90 90 Pnma |
|
atom x y z |
|
Sr1 .21944 .25 .1229 |
|
V1 .3821 .75 .1532 |
|
V2 0 .5 0 |
|
P1 .1892 .75 .1119 |
|
P2 .4389 .25 .1450 |
|
O1 .3744 .437 .1372 |
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O2 .2648 .75 -.032 |
|
O3 .4864 .75 -.005 |
|
O4 .2496 .75 .281 |
|
O5 .4452 .75 .376 |
|
O6 -.0111 .25 .171 |
|
O7 .1266 .5607 .1026 |
|
|
| Download AMC data (View Text File)
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|
| |
|
BaMnO39 |
| |
Boullay P, Hervieu M, Labbe P, Raveau B |
| |
Materials Research Bulletin 32 (1997) 35-42 |
|
Single crystal and HREM study of the "Bi-Sr" stabilized BaMnO39 R polytype |
|
_cod_database_code 1001718 |
|
_database_code_amcsd 0014378 |
|
5.663 5.663 20.95499 90 90 120 R-3m |
|
atom x y z |
|
Ba1 0 0 0 |
|
Ba2 0 0 .21859 |
|
Mn1 0 0 .5 |
|
Mn2 0 0 .38145 |
|
O1 .1489 .8511 .5584 |
|
O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 |
| |
Martin C, Maignan A, Huve M, Labbe P, Ledesert M, Leligny H, Raveau B |
| |
Physica C 217 (1993) 106-112 |
|
A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K. |
|
A single-crystal study. |
|
_cod_database_code 1001576 |
|
_database_code_amcsd 0015060 |
|
3.8274 3.8274 15.524 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0872 0 0 .25 .046 .024 .081 0 0 0 |
|
Cu1 0 0 .5 .0067 .0067 .009 0 0 0 |
|
Cu2 0 0 .2902 .0078 .0078 .011 0 0 0 |
|
Ba1 .5 .5 .1690 .36 .0070 .0070 .0097 0 0 0 |
|
Sr1 .5 .5 .1690 .64 .0070 .0070 .0097 0 0 0 |
|
Ca1 .5 .5 .3931 .92 .0065 .0065 .010 0 0 0 |
|
Tl2 .5 .5 .3931 .08 .0065 .0065 .010 0 0 0 |
|
O1 .5 0 .5 .004 .026 .021 0 0 0 |
|
O2 .5 0 .2964 .006 .009 .020 0 0 0 |
|
O3 0 0 .131 .021 .021 .012 0 0 0 |
|
O4 .5 .5 0 .030 .030 .004 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 |
| |
Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B |
| |
Physica C 232 (1994) 387-395 |
|
(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal. |
|
A structural and magnetic study |
|
_cod_database_code 1001634 |
|
_database_code_amcsd 0015068 |
|
3.7922 3.7922 12.0661 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0575 0 0 .1675 .031 .0137 .0046 0 0 0 |
|
Bi1 .0575 0 0 .0825 .031 .0137 .0046 0 0 0 |
|
Ca1 .5 .5 .5 .89 .0083 .0083 .0091 0 0 0 |
|
Tl2 .5 .5 .5 .11 .0083 .0083 .0091 0 0 0 |
|
Sr1 .5 .5 .2170 .0101 .0101 .0124 0 0 0 |
|
Cu1 0 0 .3642 .0058 .0058 .0106 0 0 0 |
|
O1 0 .5 .3693 .012 .010 .014 0 0 0 |
|
O2 0 0 .1660 .016 .016 .010 0 0 0 |
|
O3 .411 .411 0 .25 .016 .016 .02 -.01 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O3 Sn0.3 W |
| |
Goreaud M, Labbe P, Monfort Y, Raveau B |
| |
Revue de Chimie Minerale 17 (1980) 79-87 |
|
Comportement de Sn(II) dans les bronzes quadratiques de tungstene. |
|
Surstructure de Sn.3 W O3 |
|
_cod_database_code 1001256 |
|
_database_code_amcsd 0015390 |
|
12.25 12.25 3.83 90 90 90 P4/mbm |
|
atom x y z occ |
|
W1 .07561 .20464 .5 |
|
W2 0 .5 .5 |
|
Sn1 .1528 .6528 0 .32 |
|
Sn2 .1098 .6794 0 .06 |
|
Sn3 .2060 .7060 0 .21 |
|
O1 .272 .452 0 .25 |
|
O2 .306 .408 0 .25 |
|
O3 .270 .412 0 .25 |
|
O4 .286 .438 0 .25 |
|
O5 .021 .521 0 .5 |
|
O6 -.003 .346 .403 .5 |
|
O7 .433 .358 .432 .5 |
|
O8 .287 .787 .424 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rb2P8W16O64 |
| |
Giroult J, Goreaux M, Labbe P, Raveau B |
| |
Revue de Chimie Minerale 20 (1983) 829-836 |
|
Les bronzes de tungstene pyrophosphates Rbx P4 O8 (W O3)2m: |
|
etude structural du compose le plus riche en phosphore (Rb2P8W16O64) |
|
_cod_database_code 1001333 |
|
_database_code_amcsd 0015395 |
|
10.181 7.519 17.156 90 113.32 90 A2/m |
|
atom x y z |
|
Rb1 0 .5 0 |
|
W1 .41000 .25 .13104 |
|
W2 .24283 .25 .39220 |
|
O1 .216 .223 .136 |
|
O2 .5 .25 .25 |
|
O3 .306 .25 .006 |
|
O4 .583 .25 .115 |
|
O5 .147 .280 .262 |
|
O6 .039 .25 .385 |
|
O7 .155 0 .193 |
|
O8 .389 0 .125 |
|
O9 .413 .5 .133 |
|
O10 .254 .5 .398 |
|
O11 .209 0 .375 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O40 P8 Rb0.5 W8 |
| |
Lamire M, Labbe P, Goreaud M, Raveau B |
| |
Revue de Chimie Minerale 24 (1987) 153-164 |
|
Rbx P8 W8 O40: Un bronze-diphosphate de tungstene a tunnels octagonaux. |
|
Etude structurale comparee avec Cs P8 W8 O40 |
|
_cod_database_code 1001746 |
|
_database_code_amcsd 0015401 |
|
13.007 12.325 5.2829 90 90 90 Ccm2_1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 .046 .467 .275 .0625 .016 .09 .03 -.020 -.008 -.004 |
|
W1 .40262 .35031 .25 .00624 .00492 .00590 -.00015 .00004 -.0003 |
|
P1 .2707 .1196 .255 .0075 .0057 .0163 -.0003 -.004 .003 |
|
O1 .0097 .1685 .490 .013 .010 .008 -.001 -.002 -.001 |
|
O2 .2224 .1314 .532 .009 .014 .011 .002 .004 -.001 |
|
O3 .1950 .1345 .059 .012 .017 .017 .001 -.005 .001 |
|
O4 .4182 .5 .240 .009 .005 .002 0 -.002 0 |
|
O5 .3662 .1890 .232 .010 .0059 .002 -.0024 .001 .000 |
|
O6 .3170 0 .262 .011 .005 .015 0 -.012 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O49 W18 |
| |
Lamire M, Labbe P, Goreaud M, Raveau B |
| |
Revue de Chimie Minerale 24 (1987) 369-381 |
|
Refinement et nouvelle analyse de la structure de W18 O49 |
|
_cod_database_code 1001678 |
|
_database_code_amcsd 0015402 |
|
18.31819 3.7828 14.0280 90 115.2110 90 P2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .07308 .5 .00189 .0034 .0022 .0041 0 .0025 0 |
|
W2 .08618 .5 .28606 .0045 .0014 .0056 0 .0034 0 |
|
W3 .12754 .5 .75940 .0046 .0085 .0051 0 .0035 0 |
|
W4 .22145 .5 .57287 .0057 .0028 .0051 0 .0034 0 |
|
W5 .25608 .5 .00971 .0036 .0016 .0047 0 .0025 0 |
|
W6 .27585 .5 .25143 .0046 .0076 .0046 0 .0029 0 |
|
W7 .35843 .5 .86371 .0039 .0029 .0042 0 .0026 0 |
|
W8 .41397 .5 .53803 .0056 .0028 .0062 0 .0037 0 |
|
W9 .45266 .5 .16795 .0040 .0032 .0051 0 .0025 0 |
|
O1 .077 0 .004 |
|
O2 .081 0 .277 |
|
O3 .130 0 .768 |
|
O4 .220 0 .579 |
|
O5 .256 0 .011 |
|
O6 .276 0 .246 |
|
O7 .362 0 .875 |
|
O8 .413 0 .538 |
|
O9 .449 0 .165 |
|
O10 .017 .5 .711 |
|
O11 .036 .5 .121 |
|
O12 .136 .5 .910 |
|
O13 .143 .5 .431 |
|
O14 .147 .5 .641 |
|
O15 .195 .5 .097 |
|
O16 .188 .5 .278 |
|
O17 .243 .5 .859 |
|
O18 .306 .5 .725 |
|
O19 .311 .5 .544 |
|
O20 .340 .5 .165 |
|
O21 .351 .5 .385 |
|
O22 .371 .5 .016 |
|
O23 .465 .5 .879 |
|
O24 .514 .5 .310 |
|
O25 .5 .5 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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