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Inesite |
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Wan C, Ghose S |
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American Mineralogist 63 (1978) 563-571 |
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Inesite, a hydrated calcium manganese silicate with five-tetrahedral-repeat |
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double chains |
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_database_code_amcsd 0000669 |
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8.889 9.247 11.975 88.15 132.07 96.64 P-1 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .38823 .26154 .10164 .0205 .0120 .0075 .0042 .0073 .0007 |
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Mn1 0 0 0 .0111 .0139 .0084 .0013 .0066 .0007 |
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Mn2 .09978 .07665 .77404 .0093 .0096 .0083 .0016 .0066 .0006 |
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Mn3 .20633 .11273 .55863 .0086 .0124 .0086 .0008 .0065 .0001 |
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Mn4 .30756 .15973 .33874 .0087 .0218 .0085 .0000 .0066 .0003 |
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Si1 .13271 .72738 .77309 .0076 .0077 .0065 .0009 .0056 .0004 |
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Si2 .21219 .75524 .55699 .0083 .0090 .0081 .0012 .0066 .0005 |
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Si3 .01735 .60119 .26428 .0109 .0080 .0087 .0004 .0079 .0004 |
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Si4 .31748 .81419 .28134 .0069 .0103 .0071 .0011 .0052 .0012 |
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Si5 .40405 .88778 .08109 .0069 .0097 .0060 .0013 .0049 .0005 |
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O1 .6530 .2168 .0560 .0092 .0124 .0078 .0018 .0055 -.0006 |
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O2 .9568 .4283 .2119 .0204 .0074 .0167 -.0014 .0156 -.0009 |
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O3 .0265 .1558 .3087 .0084 .0107 .0106 .0028 .0069 .0018 |
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O4 .7920 .3069 .3140 .0154 .0153 .0099 .0052 .0106 .0032 |
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O5 .9267 .1140 .5295 .0102 .0110 .0103 .0020 .0076 .0017 |
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O6 .8988 .3865 .5653 .0221 .0113 .0114 .0008 .0128 -.0003 |
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O7 .5515 .2071 .3509 .0112 .0229 .0189 .0017 .0111 .0035 |
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O8 .1636 .3038 .8471 .0116 .0127 .0144 .0036 .0079 .0006 |
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O9 .7826 .3452 .7148 .0135 .0108 .0192 .0007 .0133 .0029 |
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O10 .8280 .0630 .7639 .0098 .0126 .0121 .0027 .0080 .0011 |
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O11 .6840 .2144 .8542 .0129 .0147 .0117 -.0005 .0103 .0008 |
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O12 .4512 .1449 .5644 .0075 .0228 .0089 .0003 .0058 .0001 |
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O13 .2728 .0236 .0080 .0123 .0127 .0105 .0043 .0081 .0019 |
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O14 .3535 .0736 .7880 .0071 .0167 .0092 .0015 .0058 .0007 |
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Oh .1332 .2161 .1074 .0133 .0167 .0137 .0043 .0098 .0021 |
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OW1 .2640 .3600 .5957 .0222 .0174 .0287 .0031 .0100 -.0008 |
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OW2 .5498 .4905 .8799 .1407 .0357 .0220 .0439 -.0072 -.0054 |
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OW3 .4024 .4159 .4399 .478 .0234 .0232 .0315 .0102 .0153 .0132 |
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H1 .025 .281 .064 4.0 |
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H2 .127 .373 .528 4.0 |
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H3 .315 .379 .544 4.0 |
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H4 .640 .433 .950 4.0 |
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H5 .483 .433 .788 4.0 |
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H6 .553 .413 .527 .478 4.0 |
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H7 .348 .466 .363 .478 4.0 |
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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 (permalink)
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