Fillowite Araki T, Moore P B American Mineralogist 66 (1981) 827-842 Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure _database_code_amcsd 0000842 15.282 15.282 43.507 90 90 120 R-3 atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mn1 0 0 0 .62 0.0095 0.0095 0.0126 .00475 0 0 Ca1 0 0 0 .38 0.0095 0.0095 0.0126 .00475 0 0 Mn2 0 0 .5 0.0096 0.0096 0.0106 0.0048 0 0 Fe3 0 0 .10083 0.0108 0.0108 0.0152 0.0054 0 0 Fe4 0 0 .32463 0.0117 0.0117 0.0119 .00585 0 0 Mn5 0 0 .39880 0.0095 0.0095 0.0135 .00475 0 0 Mn6 .42839 .24706 .05159 0.0110 0.0175 0.0118 0.0078 0.0000 -.0009 Mn7 .11125 .57169 .03778 0.0099 0.0184 0.0107 0.0079 -.0007 0.0001 Mn8 .00343 .32387 .08210 .33 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010 Fe8 .00343 .32387 .08210 .67 0.0097 0.0107 0.0128 0.0042 0.0009 0.0010 Mn9 .26360 .33025 .08576 0.0114 0.0104 0.0103 0.0051 0.0000 -.0002 Mn10 .57395 .08154 .12440 0.0137 0.0076 0.0192 0.0045 0.0053 0.0017 Mn11 .22241 .10811 .13377 0.0121 0.0091 0.0177 0.0060 0.0041 0.0017 Na1 0 0 .17485 .91 0.0199 0.0199 0.0165 .00995 0 0 Ca1 0 0 .17485 .09 0.0199 0.0199 0.0165 .00995 0 0 Na2 0 0 .24871 .90 0.0326 0.0326 0.0216 0.0163 0 0 Ca2 0 0 .24871 .10 0.0326 0.0326 0.0216 0.0163 0 0 Na3 .07920 .42728 .16515 0.0391 0.0350 0.0194 0.0288 0.0032 0.0069 Ca4 .26607 .29074 .00104 .65 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029 Na4 .26607 .29074 .00104 .35 0.0340 0.0288 0.0154 0.0279 -.0037 -.0029 P1 .19099 .43418 .02780 0.0070 0.0075 0.0082 0.0034 0.0003 0.0004 P2 .53388 .11487 .03893 0.0119 0.0069 0.0107 0.0040 0.0013 0.0001 P3 .54217 .09121 .19936 0.0081 0.0070 0.0106 0.0034 0.0001 -.0002 P4 .21794 .12273 .20976 0.0102 0.0080 0.0112 0.0047 -.0029 -.0021 P5 .22502 .46060 .22200 0.0076 0.0071 0.0078 0.0033 -.0001 0.0002 P6 .46755 .21656 .27903 0.0099 0.0106 0.0115 0.0062 0.0002 -.0012 O1 .16384 .38196 -.00371 0.0120 0.0107 0.0105 0.0044 -.0023 -.0024 O2 .25347 .55116 .02559 0.0165 0.0059 0.0115 -.0003 0.0016 0.0008 O3 .25597 .39869 .04487 0.0137 0.0203 0.0139 0.0131 0.0017 0.0042 O4 .09274 .41058 .04415 0.0106 0.0194 0.0150 0.0086 0.0040 0.0027 O5 .46016 .12678 .06001 0.0144 0.0115 0.0170 0.0052 0.0086 0.0010 O6 .55695 .03458 .05085 0.0189 0.0108 0.0209 0.0092 -.0047 0.0007 O7 .63683 .21482 .03920 0.0130 0.0091 0.0215 0.0059 0.0027 0.0031 O8 .48812 .09088 .00646 0.0286 0.0181 0.0132 0.0132 -.0021 -.0025 O9 .54102 .03154 .17097 0.0150 0.0107 0.0134 0.0049 0.0010 -.0027 O10 .62717 .20328 .19749 0.0115 0.0074 0.0162 0.0036 0.0019 -.0004 O11 .43952 .08876 .20189 0.0103 0.0140 0.0150 0.0071 0.0017 0.0035 O12 .55031 .04003 .22916 0.0130 0.0130 0.0147 0.0078 -.0012 0.0028 O13 .23250 .07960 .17998 0.0274 0.0235 0.0132 0.0153 -.0014 -.0057 O14 .12532 .13521 .20748 0.0108 0.0124 0.0282 0.0066 -.0062 -.0047 O15 -.11095 .23987 .11603 0.0081 0.0123 0.0162 0.0054 0.0044 0.0038 O16 .19863 .04226 .23476 0.0198 0.0105 0.0135 0.0074 -.0031 0.0001 O17 .27073 .52738 .19431 0.0263 0.0129 0.0144 0.0089 0.0070 0.0067 O18 .10715 .40130 .21959 0.0072 0.0141 0.0170 0.0037 -.0014 -.0039 O19 .25370 .37674 .22244 0.0127 0.0119 0.0140 0.0079 -.0032 -.0011 O20 .25286 .51960 .25266 0.0154 0.0089 0.0120 0.0053 -.0013 -.0029 O21 .52428 .24646 .24824 0.0121 0.0178 0.0189 0.0032 0.0072 -.0008 O22 .38217 .10219 .27484 0.0111 0.0108 0.0187 0.0038 0.0021 -.0020 O23 .41433 .27752 .28429 0.0206 0.0195 0.0180 0.0168 0.0036 0.0006 O24 .53077 .22013 .30646 0.0264 0.0287 0.0284 0.0187 -.0156 -.0097