Quadruphite Sokolova E V, Hawthorne F C The Canadian Mineralogist 39 (2001) 1275-1294 The crystal chemistry of the [M3_11-14] trimeric structures: From hyperagpaitic complexes to saline lakes _database_code_amcsd 0005739 5.4206 7.0846 20.3641 86.89 94.42 89.94 P1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) TiA(1) .69487 .98405 .64379 .63 .0091 .0068 .0074 .0129 .0001 .0009 .0000 NbA(1) .69487 .98405 .64379 .22 .0091 .0068 .0074 .0129 .0001 .0009 .0000 ZrA(1) .69487 .98405 .64379 .15 .0091 .0068 .0074 .0129 .0001 .0009 .0000 TiA(2) .41629 .32801 .33580 .63 .0093 .0075 .0076 .0127 .0002 .0013 .0002 NbA(2) .41629 .32801 .33580 .22 .0093 .0075 .0076 .0127 .0002 .0013 .0002 ZrA(2) .41629 .32801 .33580 .15 .0093 .0075 .0076 .0127 .0002 .0013 .0002 TiA(3) -.2158 .7673 .49479 .65 .0123 .0171 .0100 .0096 .0002 -.0002 .0002 MnA(3) -.2158 .7673 .49479 .22 .0123 .0171 .0100 .0096 .0002 -.0002 .0002 FeA(3) -.2158 .7673 .49479 .05 .0123 .0171 .0100 .0096 .0002 -.0002 .0002 ZrA(3) -.2158 .7673 .49479 .08 .0123 .0171 .0100 .0096 .0002 -.0002 .0002 TiA(4) -.6719 .5444 .48481 .64 .0121 .0180 .0095 .0087 .0016 -.0005 -.0006 MnA(4) -.6719 .5444 .48481 .22 .0121 .0180 .0095 .0087 .0016 -.0005 -.0006 FeA(4) -.6719 .5444 .48481 .05 .0121 .0180 .0095 .0087 .0016 -.0005 -.0006 ZrA(4) -.6719 .5444 .48481 .09 .0121 .0180 .0095 .0087 .0016 -.0005 -.0006 NaM(1) .8625 .1526 .07805 .44 .0190 .0205 .0200 .0162 .0008 .0011 -.0002 MgM(1) .8625 .1526 .07805 .25 .0190 .0205 .0200 .0162 .0008 .0011 -.0002 MnM(1) .8625 .1526 .07805 .21 .0190 .0205 .0200 .0162 .0008 .0011 -.0002 CaM(1) .8625 .1526 .07805 .10 .0190 .0205 .0200 .0162 .0008 .0011 -.0002 CaM(2) .3121 .3925 .03394 .69 .0175 .0220 .0152 .0154 -.0008 .0018 -.0018 NaM(2) .3121 .3925 .03394 .31 .0175 .0220 .0152 .0154 -.0008 .0018 -.0018 CaM(3) -.2133 .9196 .94546 .56 .0198 .0248 .0183 .0161 .0004 .0000 -.0006 NaM(3) -.2133 .9196 .94546 .38 .0198 .0248 .0183 .0161 .0004 .0000 -.0006 SrM(3) -.2133 .9196 .94546 .06 .0198 .0248 .0183 .0161 .0004 .0000 -.0006 NaM(4) .3106 .1591 .90089 .46 .0187 .0205 .0198 .0159 .0006 .0014 -.0014 MgM(4) .3106 .1591 .90089 .25 .0187 .0205 .0198 .0159 .0006 .0014 -.0014 MnM(4) .3106 .1591 .90089 .20 .0187 .0205 .0198 .0159 .0006 .0014 -.0014 CaM(4) .3106 .1591 .90089 .09 .0187 .0205 .0198 .0159 .0006 .0014 -.0014 Na(1) -.2159 .4048 .9358 .0158 .0206 .0108 .0155 -.0025 -.0011 .0004 Na(2) .7493 .6991 .7885 .0278 .0369 .0179 .0276 .0001 -.0028 -.0002 Na(3) .4151 -.1606 .3256 .0209 .0227 .0215 .0179 .0008 -.0025 .0001 Na(4) .2576 .9593 .7457 .0221 .0334 .0156 .0182 .0012 .0063 -.0026 Na(5) .9032 .3512 .2341 .0212 .0285 .0160 .0185 -.0029 -.0041 -.0043 Na(6) -.2014 .2726 .4933 .0227 .0149 .0184 .0344 .0037 -.0066 -.0113 Na(7) .3120 .0404 .4865 .0223 .0148 .0222 .0297 .0042 -.0063 -.0100 Na(8) .2899 .4303 .7661 .0300 .0444 .0238 .0222 -.0029 .0043 -.0029 Na(9) .9206 -.1176 .2130 .0290 .0396 .0222 .0245 .0036 -.0028 -.0024 Na(10) -.3005 .4737 .6537 .0205 .0230 .0244 .0141 -.0006 .0032 .0019 Na(11) .3601 .6111 .1901 .0287 .0376 .0164 .0325 .0003 .0064 .0015 Na(12) .3161 -.0916 .0437 .0161 .0182 .0138 .0165 .0016 .0036 .0012 P(1) .8024 .1866 .79434 .0130 .0170 .0106 .0117 .0005 .0015 -.0012 P(2) .8018 .6363 .08917 .0139 .0150 .0147 .0120 .0013 .0001 -.0002 P(3) .4174 .1258 .18494 .0133 .0167 .0110 .0120 .0010 .0003 -.0007 P(4) .2448 .6753 .89000 .0137 .0171 .0126 .0113 -.0019 .0010 -.0001 Si(1) -.8118 .2795 .61430 .0111 .0135 .0087 .0108 .0003 .0001 -.0006 Si(2) -.0728 .6064 .35112 .0098 .0129 .0072 .0092 .0005 .0002 -.0007 Si(3) .1880 .7055 .62876 .0102 .0121 .0089 .0093 -.0002 -.0005 .0004 Si(4) -.0830 .0336 .36531 .0108 .0142 .0087 .0093 -.0004 .0005 .0006 F(1) .5627 .1563 .9980 .0211 .0152 .0224 .0258 .0010 .0023 -.0025 F(2) .0565 .1563 .9815 .0212 .0131 .0229 .0272 -.0003 -.0015 -.0021 O(1) .7220 .0204 .7502 .0211 .0231 .0145 .0134 -.0028 .0018 -.0036 O(2) -.0793 .9932 .4433 .0212 .0193 .0193 .0094 .0021 -.0003 -.0016 O(3) -.5249 .7645 .4406 .0169 .0206 .0122 .0116 -.0006 .0027 .0010 O(4) -.8094 .3205 .5359 .0160 .0189 .0161 .0109 .0014 .0018 -.0002 O(5) -.0280 .5860 .4313 .0148 .0197 .0117 .0114 .0008 .0016 -.0013 O(6) -.3621 .5471 .5391 .0153 .0196 .0134 .0093 .0008 .0013 .0023 O(7) .7162 .3788 .7633 .0142 .0421 .0117 .0187 .0047 .0025 .0031 O(8) .6717 .9510 .5530 .0142 .0162 .0230 .0136 -.0039 -.0015 .0006 O(9) .4397 .3613 .4264 .0243 .0185 .0234 .0112 -.0020 .0014 -.0020 O(10) .1620 .5305 .3151 .0178 .0227 .0335 .0143 .0161 .0008 -.0037 O(11) .9602 .7894 .6655 .0177 .0209 .0305 .0158 .0154 .0043 -.0007 O(12) .1430 .7270 .5486 .0235 .0182 .0160 .0098 .0004 -.0022 .0003 O(13) .4483 .7810 .6610 .0223 .0211 .0251 .0167 -.0151 -.0019 .0020 O(14) .6733 .5238 .3184 .0149 .0300 .0344 .0116 -.0155 .0032 -.0045 O(15) .4280 .1659 .6440 .0213 .0425 .0457 .0234 .0310 -.0051 -.0049 O(16) .9129 .6130 .1603 .0251 .0306 .0204 .0153 .0004 -.0062 .0021 O(17) .9339 .1840 .6339 .0371 .0447 .0425 .0270 -.0300 .0157 -.0096 O(18) -.8032 .4799 .6515 .0195 .0364 .0090 .0126 -.0033 -.0008 -.0012 O(19) .3408 .4841 .9212 .0309 .0325 .0283 .0307 .0106 .0052 .0120 O(20) .8796 .8276 .0577 .0294 .0347 .0247 .0274 -.0047 .0035 .0124 O(21) .6932 .1315 .1724 .0273 .0178 .0269 .0389 -.0003 .0077 -.0098 O(22) .6877 .1518 .8602 .0250 .0381 .0219 .0156 -.0023 .0063 -.0009 O(23) .0862 .1830 .8056 .0291 .0158 .0306 .0416 -.0030 -.0003 -.0115 O(24) .8866 .4755 .0485 .0353 .0481 .0370 .0217 .0196 .0000 -.0141 O(25) .5165 .6304 .0874 .0228 .0173 .0225 .0284 .0010 .0008 .0002 O(26) .3149 .6990 .8188 .0235 .0363 .0197 .0155 -.0017 .0090 .0000 O(27) -.0408 .6806 .8914 .0236 .0175 .0240 .0295 .0015 .0057 .0019 O(28) .2618 .1613 .1189 .0241 .0335 .0236 .0137 .0039 -.0075 -.0006 O(29) .3523 -.0645 .2163 .0240 .0426 .0130 .0164 -.0043 .0020 -.0017 O(30) .3557 .8366 .9301 .0367 .0513 .0337 .0268 -.0193 .0056 -.0120 O(31) .3634 .2898 .2304 .0164 .0225 .0120 .0146 .0025 -.0005 -.0018 O(32) -.0856 .8344 .3286 .0214 .0410 .0089 .0142 .0015 .0025 .0003 O(33) -.3295 .1395 .3357 .0425 .0509 .0470 .0277 .0371 -.0135 -.0075 O(34) .1571 .1408 .3436 .0441 .0546 .0519 .0293 -.0430 .0175 -.0139