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As6 In4 K4 |
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Birdwishtell T, Klein C, Jeffries T, Stevens E, O'Connor C |
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Journal of Materials Chemistry 1 (1991) 555-558 |
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Synthesis and crystal structures of the layered I-III-V Zintl phases, |
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K4In4X6, where X=As, Sb |
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_cod_database_code 1008525 |
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_database_code_amcsd 0016418 |
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14.323 7.106 15.795 90 90.30 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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In1 .31768 .23019 .16791 .0082 .0071 .0038 .0001 .0013 .0003 |
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In2 .09180 .21490 .23024 .0074 .0077 .0041 -.0001 .0016 -.0003 |
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In3 .81629 .24642 .32393 .0086 .0073 .0040 .0001 .0015 .0001 |
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In4 .58959 .24875 .25827 .0091 .0079 .0038 -.0008 .0007 .0007 |
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As1 .97071 .0418 .32857 .0086 .0082 .0038 -.0005 .0019 .0001 |
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As2 .47828 .0448 .15804 .0081 .0089 .0035 -.0005 .0013 -.0002 |
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As3 .24871 .2054 .32289 .0093 .0080 .0043 .0005 .0007 -.0003 |
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As4 .33354 .5710 .10800 .0083 .0073 .0055 -.0004 .0010 .0001 |
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As5 .16319 .0606 .09104 .0089 .0073 .0040 .0004 .0007 -.0002 |
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As6 .74634 .3550 .17277 .0102 .0082 .0021 -.0006 .0012 -.0004 |
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K1 .1418 .4596 -.0084 .0143 .0131 .0041 .0005 .0022 -.0002 |
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K2 .0834 .5470 .3940 .0154 .0187 .0064 .0019 -.0011 -.0002 |
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K3 .3440 .5636 .4767 .0147 .0142 .0067 .0001 .0025 .0003 |
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K4 .5624 .5826 .0896 .0120 .0234 .0146 .0018 -.0024 -.0025 |
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| 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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In4 K4 Sb6 |
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Birdwishtell T, Klein C, Jeffries T, Stevens E, O'Connor C |
| |
Journal of Materials Chemistry 1 (1991) 555-558 |
|
Synthesis and crystal structures of the layered I-III-V Zintl phases, |
|
K4In4X6, where X=As, Sb |
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_cod_database_code 1008526 |
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_database_code_amcsd 0016419 |
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15.288 7.544 16.790 90 90.54 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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In1 .31683 .2207 .16490 .0180 .0177 .0184 -.0004 .0007 .0006 |
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In2 .09279 .2130 .22865 .0166 .0186 .0169 -.0001 .0004 -.0021 |
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In3 .81775 .2375 .32674 .0191 .0163 .0180 .0005 -.0013 -.0002 |
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In4 .59240 .2360 .25969 .0189 .0188 .0186 -.0020 -.0012 .0016 |
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Sb1 .97512 .0365 .33134 .0174 .0178 .0157 -.0008 .0001 .0003 |
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Sb2 .47880 .0337 .15869 .0161 .0205 .0170 -.0012 .0001 -.0012 |
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Sb3 .25040 .2163 .32216 .0188 .0212 .0151 .0011 -.0018 -.0015 |
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Sb4 .33262 .5638 .10330 .0170 .0164 .0165 -.0004 .0000 .0004 |
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Sb5 .16193 .0550 .08857 .0190 .0187 .0133 .0006 -.0010 .0001 |
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Sb6 .74944 .3366 .17317 .0203 .0199 .0146 -.0005 .0003 -.0014 |
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K1 .8585 .5336 .0088 .0308 .0452 .0163 -.0008 .0024 -.0005 |
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K2 .6543 .4492 .5226 .0337 .0379 .0225 .0015 .0040 .0029 |
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K3 .0778 .5352 .3887 .0309 .0496 .0255 .0066 -.0064 -.0010 |
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K4 .5582 .5562 .1011 .0226 .0571 .0498 .0066 -.0076 -.0078 |
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| 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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