|
Al Cl4 K |
| |
Mairesse G, Barbier P, Wignacourt J |
 |
Acta Crystallographica B34 (1978) 1328-1330 |
|
Potassium tetrachloroaluminate |
|
_cod_database_code 1004038 |
|
_database_code_amcsd 0009636 |
|
10.481 7.183 9.273 93.10 90 90 P2_1 |
|
atom x y z |
|
Al1 .6648 .0068 .9336 |
|
Cl1 .8263 .0263 .7977 |
|
Cl2 .4914 -.0553 .8200 |
|
Cl3 .6914 -.2121 .0782 |
|
Cl4 .6520 .2656 .0584 |
|
Al2 .5565 .4918 .5641 |
|
Cl5 .3928 .4697 .6996 |
|
Cl6 .7230 .5409 .6892 |
|
Cl7 .5321 .7149 .4255 |
|
Cl8 .5718 .2341 .4423 |
|
K1 .9178 .4441 .9452 |
|
K2 .3049 .0528 .5566 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Na |
| |
Mairesse G, Barbier P, Wignacourt J |
|
Acta Crystallographica B35 (1979) 1573-1580 |
|
Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) |
|
and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 |
|
_cod_database_code 1004043 |
|
_database_code_amcsd 0009683 |
|
9.886 6.617 10.322 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .51429 .20707 .96226 |
|
Cl1 .68550 .10957 .85152 |
|
Cl2 .33503 .07337 .87726 |
|
Cl3 .55257 .07458 .15367 |
|
Cl4 .50874 .55281 .96786 |
|
Na1 .71343 .31122 .37466 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Cs |
| |
Mairesse G, Barbier P, Wignacourt J |
|
Acta Crystallographica B35 (1979) 1573-1580 |
|
Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) |
|
and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 |
|
_cod_database_code 1004044 |
|
_database_code_amcsd 0009684 |
|
11.641 7.116 9.373 90 90 90 Pnma |
|
atom x y z |
|
Al1 .57016 .25 .69293 |
|
Cl1 .71186 .25 .55165 |
|
Cl2 .40999 .25 .58962 |
|
Cl3 .58735 .00915 .82699 |
|
Cs1 .68056 .25 .16536 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br4 H4 In K O2 |
| |
Wignacourt J, Mairesse G, Barbier P |
|
Acta Crystallographica B36 (1980) 669-671 |
|
Potassium Diaquatetrabromoindate(III) |
|
_cod_database_code 1004048 |
|
_database_code_amcsd 0009704 |
|
6.852 11.984 6.996 90 113.38 90 P2_1/c |
|
atom x y z occ |
|
In1 0 0 0 |
|
Br1 .79670 .85202 .71425 |
|
Br2 .65924 .12370 .87100 |
|
O1 .9082 .9224 .2471 |
|
K1 .7169 .0940 .3862 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br4 In K |
| |
Wignacourt J, Mairesse G, Abraham F |
|
Acta Crystallographica C40 (1984) 2006-2007 |
|
Potassium Tetrabromoindate(III), K (In Br4) |
|
_cod_database_code 1004072 |
|
_database_code_amcsd 0010000 |
|
7.891 10.390 10.390 90 90 90 Pnna |
|
atom x y z |
|
In1 .25 0 .1808 |
|
Br1 .3428 .1875 .0486 |
|
Br2 -.0018 .0544 .3197 |
|
K1 .6792 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba0.87 Bi K0.13 O3 |
| |
Wignacourt J, Swinnea J, Steinfink H, Goodenough J |
| |
Applied Physics Letters 53 (1988) 1753-1755 |
|
Oxygen atom thermal vibration anisotropy in Ba0.87 K0.13 Bi O3. |
|
_cod_database_code 1004099 |
|
_database_code_amcsd 0012034 |
|
4.3223 4.3223 4.3223 90 90 90 Pm3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 0 0 .435 .0075 .0075 .0075 0 0 0 |
|
Bi2 0 0 0 .565 .0075 .0075 .0075 0 0 0 |
|
K1 .5 .5 .5 .13 .0138 .0138 .0138 0 0 0 |
|
Ba1 .5 .5 .5 .87 .0138 .0138 .0138 0 0 0 |
|
O1 .5 0 0 .0154 .0665 .0665 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 H4 N |
| |
Mairesse G, Barbier P, Wignacourt J, Rubbens A, Wallart F |
| |
Canadian Journal of Chemistry 56 (1978) 764-771 |
|
X-ray, Raman, infrared, and nuclear magnetic resonance studies of the |
|
crystal structure of ammonium tetrachloroaluminate, N H4 Al Cl4 |
|
_cod_database_code 1004065 |
|
_database_code_amcsd 0012165 |
|
11.022 7.072 9.257 90 90 90 Pnma |
|
atom x y z |
|
Al1 .56652 .25 .68838 |
|
Cl1 .71891 .25 .54944 |
|
Cl2 .40057 .25 .57645 |
|
Cl3 .57686 .00746 .82357 |
|
N1 .68464 .25 .17485 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cl5 H2 In K2 O |
| |
Wignacourt J, Mairesse G, Barbier P |
| |
Crystal Structure Communications 5 (1976) 293-296 |
|
Potassium pentachloroindate monohydrate, K2 (In Cl5, H2 O) |
|
_cod_database_code 1004034 |
|
_database_code_amcsd 0012332 |
|
13.905 9.952 7.185 90 90 90 Pnma |
|
atom x y z |
|
In1 .11301 .25 .81282 |
|
Cl1 .21698 .25 .09029 |
|
Cl2 .25518 .25 .60589 |
|
Cl3 .00191 .25 .54183 |
|
Cl4 .10483 .00049 .81624 |
|
O1 -.01314 .25 .00309 |
|
K1 .35250 .00032 .85743 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 N O |
| |
Barbier P, Mairesse G, Wignacourt J, Baert F |
| |
Crystal Structure Communications 5 (1976) 633-637 |
|
Nitrosyl tetrachloroaluminate N O Al Cl4 |
|
_cod_database_code 1004060 |
|
_database_code_amcsd 0012334 |
|
10.411 7.055 9.461 90 90 90 Pnma |
|
atom x y z occ |
|
Al1 .06152 .25 .81418 |
|
Cl1 .23156 .25 .93770 |
|
Cl2 -.1038 .25 .94207 |
|
Cl3 .06259 .00504 .58358 |
|
N1 .19409 .17942 .27782 .3 |
|
O1 .19409 .17942 .27782 .3 |
|
N2 .17715 .25 .22648 .4 |
|
O2 .17909 .25 .33185 .4 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi11.095 O20 P0.853 |
| |
Wignacourt J, Drache M, Conflant P, Boivin J |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 1939-1949 |
|
Nouvelles phases du systeme Bi2O3-BiPO4 . II.Structure et |
|
proprietes electriques d'une solution solide de type sillenite |
|
_cod_database_code 1004094 |
|
_database_code_amcsd 0012754 |
|
10.169 10.169 10.169 90 90 90 I23 |
|
atom x y z occ |
|
Bi1 .8233 .6793 .9797 .8227 |
|
Bi2 .8233 .6793 .9797 .1019 |
|
P1 0 0 0 .853 |
|
O1 .869 .757 .510 |
|
O2 .799 .799 .799 |
|
O3 .093 .093 .093 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br6 H3 In K3 O1.5 |
| |
Lornaux-Rubbens A, Wignacourt J, Drache M, Wallart F |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2041-2055 |
|
Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O). |
|
I. Etude cristallographique (X=Br); comparaison |
|
des distances indium-ligand (X=Cl,Br) |
|
_cod_database_code 1004095 |
|
_database_code_amcsd 0012755 |
|
16.563 16.563 18.563 90 90 90 I4mm |
|
atom x y z occ |
|
In1 .2440 .2440 .0058 |
|
Br1 .3582 .1313 .0069 |
|
Br2 .1483 .1483 .0891 |
|
Br3 .3075 .3075 .1210 |
|
Br4 .3369 .3369 -.0778 |
|
Br5 .1820 .1820 .8880 |
|
In2 0 .5 .257 |
|
Br6 0 .5 .1207 |
|
Br7 0 .5 .3933 |
|
Br8 .1154 .6163 .2572 |
|
In3 0 0 .2776 |
|
Br9 0 0 .4096 |
|
Br10 0 .1606 .2620 |
|
K1 .2087 .2087 .2576 |
|
K2 0 .2908 .1269 |
|
K3 0 .2968 .3964 |
|
K4 .5 .2139 .1277 |
|
K5 .5 .2181 .3809 |
|
K6 .5 .5 .1353 .5 |
|
K7 .5 .5 .3730 .5 |
|
Br11 .5 .3662 .2496 .25 |
|
O1 0 0 .152 |
|
O2 .5 .328 .034 |
|
O3 .5 .313 .254 .75 |
|
O4 .5 .368 .457 .625 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br5 H2 In K2 O |
| |
Lornaux-Rubbens A, Wignacourt J, Drache M, Wallart F |
| |
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2041-2055 |
|
Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O). |
|
I. Etude cristallographique (X=Br); comparaison |
|
des distances indium-ligand (X=Cl,Br) |
|
_cod_database_code 1004096 |
|
_database_code_amcsd 0012756 |
|
14.509 10.369 7.590 90 90 90 Pnma |
|
atom x y z |
|
In1 .1136 .25 .8087 |
|
Br1 .2153 .25 .0935 |
|
Br2 .2593 .25 .6050 |
|
Br3 .0014 .25 .5337 |
|
Br4 .1033 -.0035 .8127 |
|
O1 -.0104 .25 .9881 |
|
K1 .3523 .0010 .8626 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi0.72 Eu0.28 O4 V |
| |
Blin J, Lorriaux-Rubbens A, Wallart F, Wignacourt J |
| |
Journal of Materials Chemistry 6 (1996) 385-389 |
|
Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite |
|
phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence |
|
_cod_database_code 1004117 |
|
_database_code_amcsd 0013078 |
|
7.28296 7.28296 6.43407 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z occ |
|
Bi1 0 .25 .625 .72 |
|
Eu1 0 .25 .625 .28 |
|
V1 0 .25 .125 |
|
O1 .1778 .743 .0429 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Cl4 Na |
| |
Wallart F, Lorriaux-Rubbens A, Mairesse G, Barbier P, Wignacourt J |
| |
Journal of Raman Spectroscopy 9 (1980) 55-61 |
|
Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des |
|
Spectres de Diffusion Raman de la Famille des M Al Cl4 |
|
(M= Li, Na, K, Rb, Cs, NO, NH4) a l'Etat Solide |
|
_cod_database_code 1004059 |
|
_database_code_amcsd 0013286 |
|
10.322 9.886 6.167 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .03774 .48571 .20707 |
|
Cl1 .03214 .49126 .55281 |
|
Cl2 .14848 .31450 .10957 |
|
Cl3 -.15367 .47743 .07458 |
|
Cl4 .12274 .66497 .07337 |
|
Na1 .12534 .21353 .688880 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al Cl4 Na |
| |
Wallart F, Lorriaux-Rubbens A, Mairesse G, Barbier P, Wignacourt J |
| |
Journal of Raman Spectroscopy 9 (1980) 55-61 |
|
Etude structurale du tetrachloroaluminate de sodium. Comparaison des |
|
spectres de diffusion raman de la famille des M Al Cl4 |
|
(M=Li, Na, K, Rb, Cs, No, Nh4,) a l'etat solide |
|
_cod_database_code 1004069 |
|
_database_code_amcsd 0013287 |
|
10.322 9.886 6.167 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Al1 .03774 .48571 .20707 |
|
Cl1 .03214 .49126 .55281 |
|
Cl2 .14848 .31450 .10957 |
|
Cl3 -.15367 .47743 .07458 |
|
Cl4 .12274 .66497 .07337 |
|
Na1 .12534 .21353 .68878 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi0.65 Gd0.35 O1.5 |
| |
Drache M, Conflant P, Obbade S, Wignacourt J, Watanabe A |
| |
Journal of Solid State Chemistry 129 (1997) 98-104 |
|
Stability, thermal behaviour, and crystal structure of ion ordered |
|
Bi1-xLnxO1.5 phases (Ln = Sm - Dy) |
|
_cod_database_code 1004122 |
|
_database_code_amcsd 0013918 |
|
11.0488 11.0488 11.0488 90 90 90 I2_13 |
|
atom x y z occ |
|
Bi1 .2702 .2702 .2702 |
|
Bi2 -.0163 0 .25 |
|
Bi3 .4979 0 .25 .066 |
|
Gd1 .4979 0 .25 .934 |
|
O1 .373 .079 .388 |
|
O2 .127 .349 .139 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi O6 P Pb2 |
| |
Mizrahi A, Wignacourt J, Steinfink H |
| |
Journal of Solid State Chemistry 133 (1997) 516-521 |
|
Pb2 Bi O2 P O4, a new oxyphosphate |
|
_cod_database_code 1004125 |
|
_database_code_amcsd 0013943 |
|
5.930 9.079 11.473 90 90 90 Pnma |
|
atom x y z occ |
|
Bi1 .2229 .75 .6491 |
|
Pb1 .2272 .0521 .8509 |
|
P1 .743 .25 -.0633 |
|
O1 .034 .096 .256 |
|
O2 .334 .25 .687 |
|
O3 .101 .121 .537 .5 |
|
O4 .33 .120 .494 .5 |
|
O5 -.01 .25 .5627 .5 |
|
O6 .42 .25 .481 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi O8 P Pb4 |
| |
Giraud S, Wignacourt J, Drache M, Nowogrocki G, Steinfink H |
| |
Journal of Solid State Chemistry 142 (1999) 80-88 |
|
The stereochemical effect of 6s2 lone-pair electrons: the crystal |
|
structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4 |
|
_cod_database_code 1004143 |
|
_database_code_amcsd 0013955 |
|
6.215 7.440 10.498 100.19 103.73 90.05 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .2386 .0351 .70334 .0204 .0176 .0162 -.0015 .0056 .0015 |
|
Pb2 .2321 .5641 .70344 .0203 .0199 .0164 .0046 .0047 .0045 |
|
Pb3 .73302 -.3815 .96585 .0142 .0133 .0229 .0007 .0082 .0027 |
|
Pb4 .7347 .1154 .9644 .0147 .0176 .0324 .0046 .0109 .0107 |
|
Bi1 .3070 .2268 .4099 .0163 .0168 .0163 .0018 .0037 .0037 |
|
P1 .768 .2945 .6821 .019 .013 .022 -.001 .006 .004 |
|
O1 .650 .396 .078 |
|
O2 .645 -.106 .085 |
|
O3 .034 -.185 .743 |
|
O4 .001 .306 .777 |
|
O5 .484 .188 .254 |
|
O6 .263 .563 .400 |
|
O7 .735 .111 .590 |
|
O8 .588 .308 .768 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.775 La0.225 O1.5 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004135 |
|
_database_code_amcsd 0013959 |
|
4.0242 4.0242 27.59999 90 90 120 R-3m |
|
atom x y z occ |
|
Bi1 0 0 0 .325 |
|
La1 0 0 0 .675 |
|
Bi2 0 0 .2243 |
|
O1 0 0 .300 |
|
O2 0 0 .092 .82 |
|
O3 0 0 .441 .43 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.775 O1.5 Pr0.225 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004136 |
|
_database_code_amcsd 0013960 |
|
3.9975 3.9975 27.50899 90 90 120 R-3m |
|
atom x y z occ |
|
Bi1 0 0 0 .325 |
|
Pr1 0 0 0 .675 |
|
Bi2 0 0 .2244 |
|
O1 0 0 .302 |
|
O2 0 0 .095 .81 |
|
O3 0 0 .445 .44 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.775 Nd0.225 O1.5 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004137 |
|
_database_code_amcsd 0013961 |
|
3.9915 3.9915 27.463 90 90 120 R-3m |
|
atom x y z occ |
|
Bi1 0 0 0 .325 |
|
Nd1 0 0 0 .675 |
|
Bi2 0 0 .2247 |
|
O1 0 0 .303 |
|
O2 0 0 .097 .77 |
|
O3 0 0 .445 .48 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.775 O1.5 Sm0.225 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004138 |
|
_database_code_amcsd 0013962 |
|
3.9783 3.9783 27.39099 90 90 120 R-3m |
|
atom x y z occ |
|
Bi1 0 0 0 .325 |
|
Sm1 0 0 0 .675 |
|
Bi2 0 0 .2248 |
|
O1 0 0 .305 |
|
O2 0 0 .093 .70 |
|
O3 0 0 .445 .55 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.775 Eu0.225 O1.5 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004139 |
|
_database_code_amcsd 0013963 |
|
3.9736 3.9736 27.353 90 90 120 R-3m |
|
atom x y z occ |
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Bi1 0 0 0 .325 |
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Eu1 0 0 0 .675 |
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Bi2 0 0 .2253 |
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O1 0 0 .300 |
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O2 0 0 .090 .81 |
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O3 0 0 .450 .44 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Bi0.775 Gd0.225 O1.5 |
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Drache M, Obbade S, Wignacourt J, Conflant P |
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Journal of Solid State Chemistry 142 (1999) 349-359 |
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Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
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oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
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rhombohedral Bi-Sr-O type |
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_cod_database_code 1004140 |
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_database_code_amcsd 0013964 |
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3.9724 3.9724 27.33899 90 90 120 R-3m |
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atom x y z occ |
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Bi1 0 0 0 .325 |
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Gd1 0 0 0 .675 |
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Bi2 0 0 .2252 |
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O1 0 0 .299 |
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O2 0 0 .091 .78 |
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O3 0 0 .446 .47 |
|
|
| 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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|
Bi0.775 O1.5 Tb0.225 |
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Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
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rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004141 |
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_database_code_amcsd 0013965 |
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3.9653 3.9653 27.31699 90 90 120 R-3m |
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atom x y z occ |
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Bi1 0 0 0 .325 |
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Tb1 0 0 0 .675 |
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Bi2 0 0 .2252 |
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O1 0 0 .303 |
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O2 0 0 .088 .78 |
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O3 0 0 .447 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bi0.775 Dy0.225 O1.5 |
| |
Drache M, Obbade S, Wignacourt J, Conflant P |
| |
Journal of Solid State Chemistry 142 (1999) 349-359 |
|
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 |
|
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with |
|
rhombohedral Bi-Sr-O type |
|
_cod_database_code 1004142 |
|
_database_code_amcsd 0013966 |
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3.9649 3.9649 27.29599 90 90 120 R-3m |
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atom x y z occ |
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Bi1 0 0 0 .325 |
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Dy1 0 0 0 .675 |
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Bi2 0 0 .2252 |
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O1 0 0 .300 |
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O2 0 0 .091 .72 |
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O3 0 0 .452 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl6 H2 In K3 O |
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Wignacourt J, Nowogrocki G, Mairesse G, Barbier P |
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Reviews in Inorganic Chemistry 2 (1980) 207-217 |
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Evidence for ionic isomerism in complex salts. X-ray evidence in K3InCl6.H2O |
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_cod_database_code 1004098 |
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_database_code_amcsd 0015366 |
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15.723 15.723 18.069 90 90 90 I4mm |
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atom x y z occ |
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In1 .24357 .24357 .00499 |
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Cl1 .35645 .13208 .00599 |
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Cl2 .15060 .15060 .08966 |
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Cl3 .30706 .30706 .12025 |
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Cl4 .33417 .33417 .92095 |
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Cl5 .18005 .18005 .89051 |
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In2 0 .5 .257 |
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Cl6 0 .5 .12268 |
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Cl7 0 .5 .39196 |
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Cl8 .11404 .61551 .25732 |
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In3 0 0 .27378 |
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Cl9 0 0 .40793 |
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Cl10 0 .15988 .26060 |
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K1 .21001 .21001 .25590 |
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K2 0 .29263 .12452 |
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K3 0 .29532 .39536 |
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K4 .5 .21428 .13151 |
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K5 .5 .21935 .37735 |
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K6 .5 .5 .11877 .5 |
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K7 .5 .5 .37568 .5 |
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Cl11 .5 .37184 .25010 .25 |
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O1 0 0 .1477 |
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O2 .5 .3378 .0281 .5 |
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O3 .5 .3346 .2505 .5 |
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O4 .5 .3362 .4719 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cl5 H2 In K2 O |
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Wignacourt J, Lorriaux-Rubbens A, Barbier P, Mairesse G, Wallart F |
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Spectrochimica Acta A, Molecular Spectroscopy 36 (1980) 403-411 |
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Structural stdudy of K2 In Cl5, H2 O by X-Ray, Raman and IR spectroscopies |
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_cod_database_code 1004070 |
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_database_code_amcsd 0015623 |
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13.905 9.952 7.185 90 90 90 Pnma |
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atom x y z |
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In1 .11306 .25 .81263 |
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Cl1 .21723 .25 .09030 |
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Cl2 .25492 .25 .60549 |
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Cl3 .00208 .25 .54144 |
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Cl4 .10524 .0006 .81628 |
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O1 -.01175 .25 .00307 |
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K1 .35278 .00030 .85741 |
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H1 -.046 .184 .037 |
|
|
| 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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