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Ba Er2 Ni O5 |
| |
Alonso J, Amador J, Rasines I, Soubeyroux J |
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Acta Crystallographica C47 (1991) 249-251 |
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Er2BaNiO5: Structure refinement using neutron powder diffraction data |
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_cod_database_code 1008460 |
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_database_code_amcsd 0016364 |
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3.7541 5.7442 11.3019 90 90 90 Immm |
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atom x y z occ |
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Ba1 0 .5 0 |
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Er1 0 0 .2028 |
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Ni1 .5 0 0 |
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O1 .5 .2418 .1487 |
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O2 0 0 0 .99 |
|
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|
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Cervantite |
 |
Amador J, Gutierrez-Puebla E, Monge M A, Rasines I, Ruiz-Valero C |
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Inorganic Chemistry 27 (1988) 1367-1370 |
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Diantimony tetraoxides revisited |
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Locality: synthetic |
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Note: displacement parameters from ICSD |
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_database_code_amcsd 0012697 |
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5.434 4.8091 11.779 90 90 90 Pna2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .3727 -.0008 .2483 .0019 .0026 .0012 -.0002 .0000 .0004 |
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Sb2 -.0225 .0358 0 .0055 .0045 .0063 -.0004 .0016 -.0006 |
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O1 .3175 .1572 .0952 .0085 |
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O2 .1512 .7054 .1912 .0059 |
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O3 .0822 .2021 .3052 .0058 |
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O4 .3518 .8320 .4076 .0004 |
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Clinocervantite |
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Amador J, Gutierrez-Puebla E, Monge M A, Rasines I, Ruiz-Valero C |
| |
Inorganic Chemistry 27 (1988) 1367-1370 |
|
Diantimony tetraoxides revisited |
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Locality: synthetic |
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Note: displacement parameters from ICSD |
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_database_code_amcsd 0012698 |
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12.057 4.8352 5.384 90 104.56 90 C2/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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Sb1 .25 .25 0 .0011 .0023 .0003 .0001 .0004 .0001 |
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Sb2 0 .2865 .25 .0045 .0029 .0055 0 .0009 0 |
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O1 .1908 .0516 .6749 .0068 .0046 .0029 .0013 .0027 -.0011 |
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O2 .0946 .4132 .9637 .0057 .0077 .0051 .0049 .0042 .0015 |
|
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Al6 O18 Sr9 |
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Alonso J, Rasines I, Soubeyroux J |
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Inorganic Chemistry 29 (1990) 4768-4771 |
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Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite |
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_cod_database_code 1008450 |
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_database_code_amcsd 0016355 |
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15.8476 15.8476 15.8476 90 90 90 Pa3 |
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atom x y z |
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Sr1 0 0 0 |
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Sr2 .5 0 0 |
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Sr3 .2521 .2521 .2521 |
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Sr4 .3765 .3765 .3764 |
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Sr5 .1345 .3745 .1332 |
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Sr6 .3793 .3852 .1242 |
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Al1 .2520 .0164 .0184 |
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Al2 .2392 .2345 .0041 |
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O1 .2631 .1257 .0032 |
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O2 .4930 .1275 .2448 |
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O3 .2697 .2762 .1001 |
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O4 .2352 .4065 .2804 |
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O5 .3458 -.0261 -.0188 |
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O6 .1544 -.0175 -.0177 |
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Ba Ca0.22 Er1.78 Ni O5 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
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Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006068 |
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_database_code_amcsd 0013803 |
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3.7423 5.7416 11.2729 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2038 .112 |
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Er1 .5 0 .2038 .888 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2397 .1481 |
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O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Ba Ca0.36 Er1.64 Ni O5 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006069 |
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_database_code_amcsd 0013804 |
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3.7342 5.7486 11.2625 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2041 .180 |
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Er1 .5 0 .2041 .82 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2394 .1472 |
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O2 .5 0 0 |
|
|
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|
| |
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Ba Ca0.19 Er1.81 Ni O4.76 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006070 |
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_database_code_amcsd 0013805 |
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3.7106 5.7461 11.3007 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2047 .095 |
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Er1 .5 0 .2047 .905 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
|
O1 0 .2408 .1487 |
|
O2 .5 0 0 .76 |
|
|
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|
| |
|
Ba Ca0.34 Er1.66 Ni O4.58 |
| |
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
| |
Journal of Solid State Chemistry 109 (1994) 231-240 |
|
Hole and electron doping of R2BaNiO5 (R=rare earths) |
|
_cod_database_code 1006071 |
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_database_code_amcsd 0013806 |
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3.6876 5.7467 11.3012 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2049 .17 |
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Er1 .5 0 .2049 .83 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2405 .1476 .99 |
|
O2 .5 0 0 .62 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cochromite |
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Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
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Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
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Locality: synthetic |
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Sample: s = 0.00 |
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_database_code_amcsd 0015305 |
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8.3346 8.3346 8.3346 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z |
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Co .125 .125 .125 |
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Cr .5 .5 .5 |
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O .261 .261 .261 |
|
|
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|
| |
|
Cochromite |
|
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
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Sample: s = 0.10, Co1.2Cr1.7Sb.1O4 |
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_database_code_amcsd 0015306 |
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8.3461 8.3461 8.3461 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ |
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Co1 .125 .125 .125 |
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Cr2 .5 .5 .5 .85 |
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Co2 .5 .5 .5 .10 |
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Sb2 .5 .5 .5 .05 |
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O .260 .260 .260 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cochromite |
|
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
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Sample: s = 0.20, Co1.4Cr1.4Sb.2O4 |
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_database_code_amcsd 0015307 |
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8.3783 8.3783 8.3783 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ |
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Co1 .125 .125 .125 |
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Cr2 .5 .5 .5 .7 |
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Co2 .5 .5 .5 .2 |
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Sb2 .5 .5 .5 .1 |
|
O .260 .260 .260 |
|
|
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|
| |
|
Cochromite |
|
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
|
Sample: s = 0.30, Co1.6Cr1.1Sb.3O4 |
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_database_code_amcsd 0015308 |
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8.4187 8.4187 8.4187 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ |
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Co1 .125 .125 .125 |
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Cr2 .5 .5 .5 .55 |
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Co2 .5 .5 .5 .30 |
|
Sb2 .5 .5 .5 .15 |
|
O .260 .260 .260 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cochromite |
|
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
|
Sample: s = 0.40, Co1.8Cr.8Sb.4O4 |
|
_database_code_amcsd 0015309 |
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8.4577 8.4577 8.4577 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ |
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Co1 .125 .125 .125 |
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Cr2 .5 .5 .5 .4 |
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Co2 .5 .5 .5 .4 |
|
Sb2 .5 .5 .5 .2 |
|
O .260 .260 .260 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co2Cr.5Sb.5O4 |
| |
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
|
Sample: s = 0.50, Co2Cr.5Sb.5O4 |
|
_database_code_amcsd 0015310 |
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8.4909 8.4909 8.4909 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Co1 .125 .125 .125 |
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Cr2 .5 .5 .5 .25 |
|
Co2 .5 .5 .5 .50 |
|
Sb2 .5 .5 .5 .25 |
|
O .259 .259 .259 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co2.2Cr.2Sb.6O4 |
| |
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
|
Sample: s = 0.60, Co2.2Cr.2Sb.6O4 |
|
_database_code_amcsd 0015311 |
|
8.5185 8.5185 8.5185 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Co1 .125 .125 .125 |
|
Co2 .5 .5 .5 .6 |
|
Cr2 .5 .5 .5 .1 |
|
Sb2 .5 .5 .5 .3 |
|
O .259 .259 .259 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co2.333Sb.667O4 |
| |
Garcia Casado P, Rasines I |
| |
Polyhedron 5 (1986) 787-789 |
|
Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 |
|
Sample: s = 2/3, Co2.333Sb.667O4 |
|
_database_code_amcsd 0015312 |
|
8.5330 8.5330 8.5330 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Co1 .125 .125 .125 |
|
Co2 .5 .5 .5 2/3 |
|
Sb2 .5 .5 .5 1/3 |
|
O .258 .258 .258 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Er2 Ni O5 |
| |
Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R |
| |
Solid State Communications 76 (1990) 467-474 |
|
Neutron diffraction study of the magnetic structure of Er2BaNiO5 |
|
_cod_database_code 1006034 |
|
_database_code_amcsd 0015481 |
|
3.7472 5.7293 11.2755 90 90 90 Immm |
|
atom x y z |
|
Er1 0 0 .2027 |
|
Ba1 0 .5 0 |
|
Ni1 .5 0 0 |
|
O1 .5 .2409 .1483 |
|
O2 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Er2 Ni O5 |
| |
Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R |
| |
Solid State Communications 76 (1990) 467-474 |
|
Neutron diffraction study of the magnetic structure of Er2BaNiO5 |
|
_cod_database_code 1006035 |
|
_database_code_amcsd 0015482 |
|
3.7464 5.7289 11.2741 90 90 90 Immm |
|
atom x y z |
|
Er1 0 0 .2027 |
|
Ba1 0 .5 0 |
|
Ni1 .5 0 0 |
|
O1 .5 .2397 .1486 |
|
O2 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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