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Rapidcreekite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 34 (1996) 99-106 |
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The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4, |
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and its relation to the structure of gypsum |
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15.517 19.226 6.1646 90 90 90 Pcnb |
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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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Ca1 .3341 .2896 .2009 .0129 .0106 .0140 .0001 .0005 -.0005 |
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Ca2 .3276 .0533 .1883 .0133 .0098 .0149 -.0003 .0004 -.0002 |
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S .1688 .4193 .0268 .0140 .0099 .0143 -.0020 -.0013 -.0021 |
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C .1914 .1739 .431 .0106 .0113 .0120 .0039 -.0024 -.0012 |
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O1 .2247 .3589 .050 .0180 .0158 .0250 .0080 -.0069 .0032 |
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O2 .2137 .2329 .357 .0185 .0090 .0175 -.0069 .0051 .0002 |
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O3 .3898 .4039 .343 .0162 .0129 .0246 -.0027 .0040 -.0034 |
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O4 .3712 .1714 .0735 .0165 .0118 .0171 .0008 -.0029 -.0037 |
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O5 .2286 .1168 .383 .0184 .0109 .0216 .0007 .0088 .0029 |
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O6 .2810 .4830 .484 .0235 .0103 .0160 .0023 -.0063 .0000 |
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O7 .1181 .4321 .222 .0203 .0202 .0158 -.0025 .0065 .0001 |
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Wat1 .0894 .2389 .013 .0186 .0231 .0248 -.0032 -.0004 -.0014 |
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Wat2 .0478 .3236 .466 .0181 .0307 .0257 -.0052 -.0079 .0046 |
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Wat3 .0746 .0196 .397 .0173 .0211 .0162 -.0053 -.0060 .0018 |
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Wat4 .4341 .0914 .469 .0140 .0233 .0226 -.0016 -.0025 .0022 |
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