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Fillowite |
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Araki T, Moore P B |
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American Mineralogist 66 (1981) 827-842 |
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Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure |
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15.282 15.282 43.507 90 90 120 R-3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 0 0 0 .62 0.0095 0.0095 0.0126 .00475 0 0 |
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Ca1 0 0 0 .38 0.0095 0.0095 0.0126 .00475 0 0 |
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Mn2 0 0 .5 0.0096 0.0096 0.0106 0.0048 0 0 |
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Fe3 0 0 .10083 0.0108 0.0108 0.0152 0.0054 0 0 |
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Fe4 0 0 .32463 0.0117 0.0117 0.0119 .00585 0 0 |
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Mn5 0 0 .39880 0.0095 0.0095 0.0135 .00475 0 0 |
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Mn6 .42839 .24706 .05159 0.0110 0.0175 0.0118 0.0078 0.0000 -.0009 |
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Mn7 .11125 .57169 .03778 0.0099 0.0184 0.0107 0.0079 -.0007 0.0001 |
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Mn8 .00343 .32387 .08210 .33 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010 |
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Fe8 .00343 .32387 .08210 .67 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010 |
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Mn9 .26360 .33025 .08576 0.0114 0.0104 0.0103 0.0051 0.0000 -.0002 |
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Mn10 .57395 .08154 .12440 0.0137 0.0076 0.0192 0.0045 0.0053 0.0017 |
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Mn11 .22241 .10811 .13377 0.0121 0.0091 0.0177 0.0060 0.0041 0.0017 |
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Na1 0 0 .17485 .91 0.0199 0.0199 0.0165 .00995 0 0 |
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Ca1 0 0 .17485 .09 0.0199 0.0199 0.0165 .00995 0 0 |
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Na2 0 0 .24871 .90 0.0326 0.0326 0.0216 0.0163 0 0 |
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Ca2 0 0 .24871 .10 0.0326 0.0326 0.0216 0.0163 0 0 |
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Na3 .07920 .42728 .16515 0.0391 0.0350 0.0194 0.0288 0.0032 0.0069 |
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Ca4 .26607 .29074 .00104 .65 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029 |
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Na4 .26607 .29074 .00104 .35 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029 |
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P1 .19099 .43418 .02780 0.0070 0.0075 0.0082 0.0034 0.0003 0.0004 |
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P2 .53388 .11487 .03893 0.0119 0.0069 0.0107 0.0040 0.0013 0.0001 |
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P3 .54217 .09121 .19936 0.0081 0.0070 0.0106 0.0034 0.0001 -.0002 |
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P4 .21794 .12273 .20976 0.0102 0.0080 0.0112 0.0047 -.0029 -.0021 |
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P5 .22502 .46060 .22200 0.0076 0.0071 0.0078 0.0033 -.0001 0.0002 |
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P6 .46755 .21656 .27903 0.0099 0.0106 0.0115 0.0062 0.0002 -.0012 |
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O1 .16384 .38196 -.00371 0.0120 0.0107 0.0105 0.0044 -.0023 -.0024 |
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O2 .25347 .55116 .02559 0.0165 0.0059 0.0115 -.0003 0.0016 0.0008 |
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O3 .25597 .39869 .04487 0.0137 0.0203 0.0139 0.0131 0.0017 0.0042 |
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O4 .09274 .41058 .04415 0.0106 0.0194 0.0150 0.0086 0.0040 0.0027 |
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O5 .46016 .12678 .06001 0.0144 0.0115 0.0170 0.0052 0.0086 0.0010 |
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O6 .55695 .03458 .05085 0.0189 0.0108 0.0209 0.0092 -.0047 0.0007 |
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O7 .63683 .21482 .03920 0.0130 0.0091 0.0215 0.0059 0.0027 0.0031 |
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O8 .48812 .09088 .00646 0.0286 0.0181 0.0132 0.0132 -.0021 -.0025 |
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O9 .54102 .03154 .17097 0.0150 0.0107 0.0134 0.0049 0.0010 -.0027 |
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O10 .62717 .20328 .19749 0.0115 0.0074 0.0162 0.0036 0.0019 -.0004 |
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O11 .43952 .08876 .20189 0.0103 0.0140 0.0150 0.0071 0.0017 0.0035 |
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O12 .55031 .04003 .22916 0.0130 0.0130 0.0147 0.0078 -.0012 0.0028 |
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O13 .23250 .07960 .17998 0.0274 0.0235 0.0132 0.0153 -.0014 -.0057 |
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O14 .12532 .13521 .20748 0.0108 0.0124 0.0282 0.0066 -.0062 -.0047 |
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O15 -.11095 .23987 .11603 0.0081 0.0123 0.0162 0.0054 0.0044 0.0038 |
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O16 .19863 .04226 .23476 0.0198 0.0105 0.0135 0.0074 -.0031 0.0001 |
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O17 .27073 .52738 .19431 0.0263 0.0129 0.0144 0.0089 0.0070 0.0067 |
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O18 .10715 .40130 .21959 0.0072 0.0141 0.0170 0.0037 -.0014 -.0039 |
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O19 .25370 .37674 .22244 0.0127 0.0119 0.0140 0.0079 -.0032 -.0011 |
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O20 .25286 .51960 .25266 0.0154 0.0089 0.0120 0.0053 -.0013 -.0029 |
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O21 .52428 .24646 .24824 0.0121 0.0178 0.0189 0.0032 0.0072 -.0008 |
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O22 .38217 .10219 .27484 0.0111 0.0108 0.0187 0.0038 0.0021 -.0020 |
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O23 .41433 .27752 .28429 0.0206 0.0195 0.0180 0.0168 0.0036 0.0006 |
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O24 .53077 .22013 .30646 0.0264 0.0287 0.0284 0.0187 -.0156 -.0097 |
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