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Fersmanite |
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Sokolova E V, Hawthorne F C, Khomyakov A P |
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The Canadian Mineralogist 40 (2002) 1421-1428 |
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The crystal chemistry of fersmanite, Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3 |
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_database_code_amcsd 0005791 |
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10.183 10.183 20.396 90 97.19 90 C2/c |
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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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Ti-M1 .10817 .56293 .18725 .595 .0149 .0141 .0146 .0160 -.00003 .00143 -.00018 |
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Nb-M1 .10817 .56293 .18725 .405 .0149 .0141 .0146 .0160 -.00003 .00143 -.00018 |
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Ti-M2 .14013 .81125 .31258 .60 .0145 .0133 .0147 .0152 -.00001 .00043 -.00040 |
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Nb-M2 .14013 .81125 .31258 .40 .0145 .0133 .0147 .0152 -.00001 .00043 -.00040 |
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Ca-A1 .33102 1.06505 .06387 .985 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
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Fe-A1 .33102 1.06505 .06387 .007 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
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Mn-A1 .33102 1.06505 .06387 .008 .0192 .0199 .0210 .0166 -.0062 .0011 .0002 |
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Ca-A2 .07673 .81020 .06675 .985 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
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Fe-A2 .07673 .81020 .06675 .008 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
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Mn-A2 .07673 .81020 .06675 .007 .0194 .0199 .0207 .0171 -.0067 .0009 -.0003 |
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Na-A3 .38457 .55893 .30528 .58 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
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Ca-A3 .38457 .55893 .30528 .40 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
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Sr-A3 .38457 .55893 .30528 .02 .0239 .0240 .0236 .0243 -.0025 .0045 .0021 |
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Na-A4 .35750 .81652 .19449 .605 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
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Ca-A4 .35750 .81652 .19449 .375 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
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Sr-A4 .35750 .81652 .19449 .02 .0230 .0212 .0232 .0236 .0027 -.0006 .0023 |
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Si1 -.06952 .70163 -.08346 .0141 .0132 .0146 .0139 .0000 -.0008 -.0022 |
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Si2 .15357 .92428 -.08300 .0145 .0143 .0148 .0147 .0003 .0026 .0022 |
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O1 -.2105 .7588 -.11832 .0233 .0195 .0256 .0235 .0064 -.0020 -.0042 |
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O2 -.0213 .5686 -.11832 .0231 .0251 .0205 .0223 .0051 -.0021 -.0056 |
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O3 -.0622 .6891 -.00553 .0245 .0294 .0277 .0161 -.0078 .0013 -.0004 |
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O4 .0366 .8130 -.10396 .0287 .0275 .0256 .0327 -.0140 .0030 .0020 |
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O5 .0878 1.0567 -.11826 .0238 .0289 .0209 .0230 .0074 .0092 .0049 |
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O6 .1849 .9365 -.00537 .0283 .0321 .0364 .0160 -.0100 .0009 -.0003 |
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O7 .2773 .8675 -.11807 .0242 .0222 .0290 .0224 .0059 .0066 .0090 |
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O8 .2586 .9371 .28388 .0190 .0188 .0187 .0192 -.0030 .0017 .0011 |
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O9 .1915 .6872 .24989 .0188 .0198 .0196 .0169 -.0022 .0021 -.0042 |
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O10 .0264 .6869 .35313 .0166 .0159 .0147 .0193 -.0003 .0022 -.0014 |
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O11 0 .4963 .25 .0184 .0185 .0206 .0160 0 .0026 0 |
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O12 0 .8787 .25 .0204 .0215 .0175 .0210 0 -.0022 0 |
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F1 .2213 .9385 .13101 .0217 .0225 .0238 .0184 -.0032 .0018 -.0008 |
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F2 .5 .6876 .25 .0266 .0260 .0233 .0300 0 .0019 0 |
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