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Na3SbS4*9H2O |
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Mereiter K, Preisinger A, Guth H, Heger G, Hiebl K, Mikenda W |
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Zeitschrift fur Kristallographie 150 (1979) 215-229 |
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Hydrogen bonds in Schlippe's salt, Na3SbS4*9H2O and Na3SbS4*9D2O: |
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Diffraction and spectroscopic studies in the temperature range of |
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75K to 295 K |
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Note: sample at T = 105 K |
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_database_code_amcsd 0010815 |
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11.878 11.878 11.878 90 90 90 P2_13 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .29175 .29175 .29175 .72 .0091 .0091 .0091 0 0 0 |
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Na2 .44977 .44977 .44977 .66 .0083 .0083 .0083 0 0 0 |
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Na3 .60484 .60484 .60484 .66 .0084 .0084 .0084 0 0 0 |
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Sb .03840 .03840 .03840 .52 .0066 .0066 .0066 0 0 0 |
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S1 .92520 .92520 .92520 .79 .0100 .0100 .0100 0 0 0 |
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S2 .15051 .15032 .92169 .58 .0042 .0101 .0078 .0009 .0015 .0004 |
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O1 -.02558 .36670 .92586 .65 .0097 .0070 .0081 .0009 .0011 -.0010 |
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O2 .18500 .69551 .99234 .74 .0091 .0095 .0095 -.0011 .0000 -.0026 |
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O3 .10095 .25624 .33022 .82 .0083 .0093 .0137 .0012 .0007 .0006 |
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D1 .02305 .30139 .92029 1.73 .0242 .0170 .0247 .0073 .0010 -.0036 |
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D2 -.07450 .36616 .86074 1.54 .0208 .0216 .0160 -.0003 -.0055 -.0018 |
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D3 .25285 .66112 .02037 1.81 .0185 .0247 .0255 .0033 -.0055 -.0005 |
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D4 .16960 .75891 .04109 1.75 .0259 .0192 .0213 .0009 .0001 -.0057 |
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D5 .04849 .22898 .27438 2.17 .0227 .0306 .0292 -.0043 -.0081 .0050 |
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D6 .05965 .30799 .37455 2.84 .0363 .0207 .0509 .0055 .0206 -.0061 |
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