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Baricite |
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Takagi S, Mathew M, Brown W E |
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American Mineralogist 71 (1986) 1229-1233 |
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Crystal structures of bobierrite and synthetic Mg3(PO4)2.8H2O |
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_database_code_amcsd 0001049 |
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10.034 13.407 4.657 90 105.09 90 C2/m |
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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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Mg1 0 0 0 .0072 .0101 .0066 0 .0012 0 |
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Mg2 0 .39054 0 .0101 .0092 .0084 0 .0030 0 |
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P .31452 0 .3843 .0078 .0104 .0071 0 .0026 0 |
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O1 .1575 0 .3709 .0090 .0173 .0095 0 .0031 0 |
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O2 .3947 0 .7144 .0113 .0129 .0086 0 .0026 0 |
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O3 .3455 .0956 .2303 .0124 .0125 .0111 .0005 .0041 .0008 |
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OW1 .4013 .3866 .1916 .0140 .0196 .0135 .0007 .0037 -.0024 |
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OW2 .1010 .2787 .2802 .0250 .0167 .0147 .0020 .0042 .0011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Baricite |
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Yakubovich O V, Massa W, Liferovich R P, McCammon C A |
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The Canadian Mineralogist 39 (2001) 1317-1324 |
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The crystal structure of baricite, (Mg1.70Fe1.30)(PO4)2.8H2O |
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_database_code_amcsd 0005742 |
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10.085 13.390 4.6713 90 104.96 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .0 .0 .5 .63 .0111 .0081 .0138 .0103 .0 .0005 .0 |
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Mg(1) .0 .0 .5 .37 .0111 .0081 .0138 .0103 .0 .0005 .0 |
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Fe(2) .5 .11050 .5 .335 .0109 .0094 .0122 .0105 .0 .0018 .0 |
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Mg(2) .5 .11050 .5 .665 .0109 .0094 .0122 .0105 .0 .0018 .0 |
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P .68507 .0 .11955 .0107 .0084 .0130 .0101 .0 .0014 .0 |
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O(1) -.3946 .0 -.2084 .0133 .0107 .0158 .0125 .0 .0012 .0 |
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O(2) -.1582 .0 .1307 .0137 .0097 .0177 .0131 .0 .0020 .0 |
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O(3) -.65471 .09621 -.2743 .0135 .0126 .0141 .0132 .0008 .0025 .0012 |
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OW(4) .10049 .11636 .3037 .0158 .0127 .0188 .0152 .0001 .0021 -.0003 |
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OW(5) -.60123 .22338 -.7828 .0184 .0211 .0171 .0170 .0008 .0049 .0003 |
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H(1) .134 .094 .152 .022 |
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H(2) -.554 .280 -.794 .030 |
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H(3) .180 .122 .439 .031 |
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H(4) -.623 .203 -.958 .034 |
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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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