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Afwillite |
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Malik K M A, Jeffery J W |
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Acta Crystallographica B32 (1976) 475-480 |
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A re-investigation of the structure of afwillite |
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_database_code_amcsd 0009551 |
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16.278 5.6321 13.236 90 134.898 90 Cc |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cal .19680 .03703 .29200 .0061 .0066 .0063 .0004 .0042 .0006 |
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Ca2 .80171 .04990 .21213 .0067 .0110 .0078 -.0001 .0051 -.0025 |
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Ca3 .50392 .02829 .03131 .0060 .0071 .0128 .0006 .0057 .0017 |
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Si1 .11768 .05129 .00184 .0063 .0063 .0057 -.0006 .0042 -.0001 |
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Si2 .86923 .98073 .00188 .0060 .0054 .0060 -.0001 .0043 .0001 |
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O1 .99020 .90943 .34297 .0072 .0180 .0073 .0010 .0039 -.0008 |
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O2 .00197 .90887 .15827 .0067 .0171 .0069 .0014 .0041 .0019 |
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O3 .78272 .97821 .02343 .0089 .0123 .0100 -.0006 .0077 -.0002 |
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O4 .21228 .05467 .98665 .0113 .0095 .0135 -.0021 .0103 -.0017 |
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O5 .33680 .73414 .39691 .0093 .0072 .0075 .0010 .0108 .0036 |
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O6 .36651 .26997 .44054 .0100 .0091 .0139 -.0009 .0080 -.0030 |
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O7 .15230 .27093 .10640 .0102 .0073 .0099 -.0001 .0077 -.0016 |
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O8 .13667 .80824 .08125 .0108 .0076 .0110 -.0002 .0084 .0017 |
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O9 .59284 .89321 .26963 .0124 .0159 .0128 .0006 .0084 -.0022 |
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O10 .41837 .96957 .26654 .0194 .0186 .0226 .0032 .0139 .0073 |
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H21 .496 .415 .243 .102 |
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H43 .228 .240 .000 .101 |
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H93 .150 .450 .375 .140 |
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H910 .030 .360 .270 .140 |
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H101 .430 .105 .312 .197 |
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H104 .346 .975 .164 .197 |
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