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Coralloite |
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Callegari A M, Boiocchi M, Ciriotti M E, Balestra C |
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American Mineralogist 97 (2012) 727-734 |
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Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: |
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crystal structure and relationships with bermanite and whitmoreite mineral groups |
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Locality: Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy |
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_database_code_amcsd 0018861 |
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5.5828 9.7660 5.5455 94.467 111.348 93.850 P1 |
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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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Mn3+M1 0 0 0 .0113 .0084 .0146 .0117 .0034 .0044 .0010 |
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Mn3+M2 .5006 .0047 .4997 .0107 .0081 .0143 .0107 .0037 .0042 .0009 |
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Mn2+M3 .1697 .5046 .3445 .0167 .0175 .0165 .0193 .0033 .0104 .0022 |
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As1 .0643 .1933 .5121 .0109 .0100 .0126 .0120 .0029 .0061 .0014 |
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As2 -.0661 .8037 .4850 .0121 .0100 .0138 .0141 .0029 .0064 .0012 |
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O1 -.0734 .1508 .1866 .0114 .0133 .0119 .0084 .0078 .0026 -.0002 |
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O2 .0608 .8431 .8124 .0160 .0128 .0242 .0141 .0066 .0077 .0031 |
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O3 -.1079 .1081 .6569 .0166 .0138 .0223 .0147 -.0039 .0080 .0004 |
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O4 .1118 .8912 .3496 .0146 .0100 .0172 .0190 .0004 .0080 .0039 |
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O5 .3748 .1571 .6328 .0164 .0153 .0156 .0176 .0047 .0054 -.0012 |
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O6 .6282 .8512 .3668 .0125 .0053 .0205 .0101 .0050 .0012 -.0031 |
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O7 .0459 .3631 .5591 .0165 .0261 .0083 .0222 .0025 .0160 .0082 |
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O8 -.0853 .6376 .4180 .0208 .0083 .0225 .0301 .0040 .0061 -.0030 |
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OH1 .3683 .0667 .1556 .0123 .0078 .0207 .0099 .0015 .0058 -.0015 |
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OH2 .6237 .9414 -.1536 .0130 .0077 .0188 .0136 .0032 .0042 .0058 |
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Wat1 .4615 .3745 .2708 .0348 .0307 .0383 .0492 .0150 .0259 .0208 |
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Wat2 .2816 .6416 .1007 .0187 .0170 .0204 .0179 .0029 .0053 .0028 |
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Wat3 -.1225 .4105 -.0471 .0241 .0220 .0241 .0281 .0021 .0131 -.0048 |
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Wat4 .4961 .6011 .7240 .0349 .0298 .0409 .0313 -.0036 .0103 -.0012 |
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View JMOL 3-D Structure (permalink) |
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