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O7 Si2 Sm2 |
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Norlund Christensen A, Frost Jensen A, Kruse Themsen B, Gronbaek Hazell R, Hanfland M, Dooryhee E |
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Acta Chemica Scandinavica 51 (1997) 1178-1185 |
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Structure investigations of the high-temperature phases of La2 Si2 O7, |
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Gd2 Si2 O7 and Sm2 Si2 O7 |
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_cod_database_code 1008805 |
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_database_code_amcsd 0016676 |
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8.553 12.849 5.392 91.08 88.61 89.68 P-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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Sm1 .1854 .7678 .2418 .0095 .0057 .0061 .0005 .0020 .0001 |
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Sm2 .4009 .5916 .7565 .0074 .0058 .0045 .0006 -.0002 .0007 |
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Sm3 .2987 .2662 .7568 .0089 .0070 .0066 -.0005 -.0013 -.0017 |
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Sm4 .1029 .0886 .2588 .0072 .0056 .0048 -.0007 .0000 .0006 |
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Si1 -.0029 .3201 .2804 .0125 .0040 .0048 -.0018 -.0026 .0016 |
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Si2 .2489 .9762 .7135 .0075 .0050 .0047 .0024 .0007 .0004 |
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Si3 .2459 .4794 .2158 .0139 .0018 .0052 .0003 -.0017 -.0003 |
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Si4 .5038 .8218 .7807 .0078 .0084 .0056 -.0009 .0011 .0032 |
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O1 .3517 .4200 -.0025 .0076 .0169 .0080 -.0047 -.0058 -.0021 |
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O2 .1444 .9203 .4933 .0133 .0093 .0070 .0003 .0001 -.0004 |
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O3 .0812 .2585 .5078 .0059 .0131 .0000 .0009 -.0105 -.0034 |
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O4 .8175 .3235 .3733 .0050 .0186 .0039 .0083 -.0051 .0123 |
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O5 .0237 .2478 .0317 .0093 .0111 .0133 .0001 .0067 .0035 |
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O6 .4135 .7627 .0046 .0130 .0053 .0225 -.0052 .0127 .0058 |
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O7 .2428 .0961 .6399 .0160 .0006 .0237 -.0018 -.0114 -.0006 |
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O8 .6778 .8345 .8794 .0110 .0098 .0109 -.0026 .0048 .0058 |
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O9 .2428 .5958 .1282 .0026 .0093 .0140 .0016 .0024 -.0064 |
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O10 .0691 .4369 .2350 .0117 .0240 .0268 .0034 -.0003 .0151 |
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O11 .3435 .4621 .4625 .0214 .0184 .0036 .0016 .0014 .0017 |
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O12 .4992 .7448 .5372 .0151 .0124 .0179 -.0025 .0020 -.0024 |
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O13 .1524 .9495 .9693 .0159 .0205 .0062 -.0103 .0027 -.0032 |
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O14 .4275 .9354 .7187 .0076 .0119 .0263 -.0049 .0025 .0120 |
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