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Magnesiochromite |
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Tabira Y, Withers R L |
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Physics and Chemistry of Minerals 27 (1999) 112-118 |
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Cation ordering in NiAl2O4 spinel by a 111 systematic row CBED technique |
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Sample: picrochromite |
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_database_code_amcsd 0008365 |
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8.3327 8.3327 8.3327 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgT 1/8 1/8 1/8 .96 .46 .0059 .0059 .0059 0 0 0 |
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CrT 1/8 1/8 1/8 .04 .46 .0059 .0059 .0059 0 0 0 |
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CrO .5 .5 .5 .98 .34 .00427 .00427 .00427 -.00020 -.00020 -.00020 |
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MgO .5 .5 .5 .02 .34 .00427 .00427 .00427 -.00020 -.00020 -.00020 |
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OX .26163 .26163 .26163 .39 .0050 .0050 .0050 -.0004 -.0004 -.0004 |
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Nickeline |
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Thompson J G, Rae A D, Withers R L, Welberry T R, Willis A C |
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Journal of Physics C: Solid State Physics 21 (1988) 4007-4015 |
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The crystal structure of nickel arsenide |
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Locality: synthetic |
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Note: room temperature, solution 1 |
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_database_code_amcsd 0013179 |
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10.8568 6.2682 5.0340 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 0 .0029 -.0011 .0101 .0101 .0046 0 0 0 |
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Ni2 .3333 -.0070 .0006 .0101 .0101 .0046 0 0 0 |
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As1 0 .3333 .7419 .0059 .0059 .0103 0 0 0 |
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As2 .3333 .3333 .7541 .0059 .0059 .0103 0 0 0 |
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Nickeline |
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Thompson J G, Rae A D, Withers R L, Welberry T R, Willis A C |
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Journal of Physics C: Solid State Physics 21 (1988) 4007-4015 |
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The crystal structure of nickel arsenide |
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Locality: synthetic |
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Note: room temperature, solution 2 |
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_database_code_amcsd 0013180 |
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10.8568 6.2682 5.0340 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 0 .0104 -.0005 .0101 .0101 .0046 0 0 0 |
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Ni2 .3333 .0004 .0003 .0101 .0101 .0046 0 0 0 |
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As1 0 .3333 .7419 .0059 .0059 .0103 0 0 0 |
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As2 .3333 .3333 .7540 .0059 .0059 .0103 0 0 0 |
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Co3Se4 |
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Garcia-Garcia F J, Larsson A K, Noren L, Withers R L |
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Solid State Sciences 6 (2004) 725-733 |
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The crystal structures of Co3Se4 and Co7Se8 |
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Note: single crystal |
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_database_code_amcsd 0015522 |
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12.100 3.570 6.183 90 120.73 90 C2/m |
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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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Co1 0 .5 .5 .0120 .0087 .0039 0 .0013 0 |
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Co2 .76065 0 .7807 .0130 .0093 .0039 0 .0022 0 |
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Se1 .62013 0 .9555 .0160 .0052 .0057 0 .0039 0 |
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Se2 .13384 0 .4740 .0149 .0057 .0069 0 .0057 0 |
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Co3Se4 |
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Garcia-Garcia F J, Larsson A K, Noren L, Withers R L |
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Solid State Sciences 6 (2004) 725-733 |
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The crystal structures of Co3Se4 and Co7Se8 |
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Note: powder refinement |
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_database_code_amcsd 0015523 |
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11.9309 3.5732 6.1359 90 119.325 90 C2/m |
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atom x y z Uiso |
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Se1 .6181 0 .959 .0064 |
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Se2 .1346 0 .460 .0064 |
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Co1 0 .5 .5 .009 |
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Co2 .7567 0 .778 .009 |
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Co6.84Se8 |
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Garcia-Garcia F J, Larsson A K, Noren L, Withers R L |
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Solid State Sciences 6 (2004) 725-733 |
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The crystal structures of Co3Se4 and Co7Se8 |
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_database_code_amcsd 0015524 |
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12.367 7.1402 8.079 90 139.935 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Se1 .7964 0 .2618 .0109 .0238 .0077 0 .0076 0 |
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Se2 .2799 0 .2287 .0160 .0260 .0133 0 .0130 0 |
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Se3 .4541 .2443 .7420 .0089 .0227 .0081 .0017 .0071 .0018 |
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Co1 .5 0 0 .014 .021 .008 0 .007 0 |
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Co2 .250 .250 0 .920 .0141 .025 .0050 -.0015 .0056 .0009 |
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Co3 .7567 0 .5257 .0130 .0194 .0052 0 .0052 0 |
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Co4 .5 .2240 .5 .0194 .023 .0089 0 .0104 0 |
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Co6.8Se8 |
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Garcia-Garcia F J, Larsson A K, Noren L, Withers R L |
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Solid State Sciences 6 (2004) 725-733 |
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The crystal structures of Co3Se4 and Co7Se8 |
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_database_code_amcsd 0015525 |
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12.4039 7.1793 8.1756 90 139.903 90 C2/m |
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atom x y z occ Uiso |
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Se1 .7944 0 .256 .0063 |
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Se2 .2778 0 .225 .016 |
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Se3 .4513 .2489 .741 .0125 |
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Co1 .5 0 0 .015 |
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Co2 .250 .250 0 .9 .017 |
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Co3 .758 0 .526 .015 |
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Co4 .5 .228 .5 .018 |
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