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Kingsmountite |
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Grey I E, Kampf A R, Smith J B, Williams T, MacRae C M |
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European Journal of Mineralogy 31 (2019) 1007-1014 |
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The calcioferrite group approved and kingsmountite redefined |
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Note: sample K5, T = 100 K |
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Locality: Foote mine, Kings Mountain Mining District, North Carolina, USA |
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_database_code_amcsd 0020891 |
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20.067 13.197 6.255 89.35 91.21 112.20 P-1 |
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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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Mn1 .23916 -.05838 .75032 .14 .0259 .0234 .0253 .0309 .0112 .0018 .0000 |
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Fe1 .23916 -.05838 .75032 .568 .0259 .0234 .0253 .0309 .0112 .0018 .0000 |
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Mg1 .23916 -.05838 .75032 .14 .0259 .0234 .0253 .0309 .0112 .0018 .0000 |
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Mn2 .2682 -.9413 .2477 .129 .030 |
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Ca1 .16332 -.34474 .74705 .0257 .0199 .0355 .0275 .0169 .0048 .0010 |
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Ca2 .33189 -.67514 .24784 .0281 .0200 .0411 .0284 .0172 .0052 .0007 |
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Ca3 .02709 -.87735 .75023 .914 .0254 .0225 .0325 .0247 .0142 .0029 .0011 |
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Mn3 .0420 -.8129 .7414 .086 .019 |
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Ca4 .4679 -.1165 .2542 .177 .0181 |
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Mn4 .44986 -.18082 .24110 .823 .0320 .0239 .0384 .0375 .0156 .0058 -.0036 |
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P1 .09833 -.60209 .74460 .0236 .0173 .0330 .0253 .0150 .0036 -.0002 |
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P2 .18265 -.77381 .4484 .0250 .0231 .0316 .0266 .0172 .0070 .0018 |
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P3 -.07306 -.76569 .0374 .0250 .0211 .0329 .0250 .0145 .0036 -.0017 |
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P4 .31135 -.24064 .5378 .0264 .0220 .0346 .0284 .0168 .0077 .0017 |
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P5 .60528 -.58500 .7545 .0253 .0186 .0382 .0255 .0177 .0028 -.0010 |
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P6 .56311 -.23405 .9477 .0282 .0247 .0379 .0267 .0169 .0044 -.0030 |
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Al1 .08336 -.66000 .2440 1.002 .0206 .0162 .0308 .0201 .0148 .0035 .0008 |
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Al2 .5 -.5 1 .0240 .0150 .0407 .0227 .0174 .0052 -.0012 |
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Al3 0 -.5 0 .0224 .0153 .0355 .0217 .0155 .0047 -.0007 |
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Al4 .24674 -.50778 .49453 .0233 .0189 .0310 .0260 .0158 .0049 .0013 |
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Al5 .40957 -.35298 .7445 .0225 .0187 .0338 .0206 .0163 .0039 .0007 |
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O1 .06540 -.6752 .5524 .0276 .0215 .0339 .031 .0147 .0042 -.0014 |
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O2 .09544 -.6760 .9381 .0273 .0230 .0320 .033 .0170 .0055 .0010 |
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O3 .17717 -.5251 .7042 .0280 .0201 .0370 .0308 .0147 .0069 -.0008 |
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O4 .05899 -.5243 .7898 .0269 .0195 .0363 .0309 .0171 .0077 .0025 |
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O5 .14650 -.8327 .6515 .0348 .0327 .0426 .036 .0214 .0143 .0112 |
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O6 .22656 -.8311 .3400 .0292 .0246 .0322 .038 .0185 .0090 -.0007 |
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O7 .23831 -.6578 .5076 .0261 .0162 .0367 .0328 .0184 .0020 -.0004 |
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O8 .12467 -.7665 .2892 .0279 .0213 .0325 .033 .0138 .0017 -.0006 |
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O9 -.14465 -.8191 .1479 .0293 .0233 .0372 .034 .0188 .0031 -.0055 |
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O10 -.06867 -.8221 -.1703 .0314 .0278 .0407 .029 .0161 .0040 -.0062 |
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O11 -.01174 -.7647 .1931 .0292 .0245 .0382 .030 .0175 .0043 .0007 |
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O12 -.06791 -.6471 -.0075 .0252 .0163 .0353 .0247 .0105 .0041 .0004 |
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O13 .26580 -.1844 .6348 .0318 .0260 .0334 .044 .0197 .0105 .0013 |
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O14 .34992 -.1830 .3363 .0402 .0321 .055 .035 .0189 .0128 .0118 |
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O15 .25673 -.3571 .4808 .0276 .0180 .0338 .037 .0170 .0014 -.0012 |
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O16 .36713 -.2485 .7046 .0290 .0199 .0378 .033 .0150 .0001 -.0053 |
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O17 .68322 -.5078 .7150 .0270 .0183 .0393 .0253 .0126 .0047 -.0051 |
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O18 .56299 -.5117 .7946 .0310 .0274 .0423 .031 .0213 .0081 .0009 |
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O19 .57307 -.6620 .5637 .0288 .0273 .0364 .0274 .0171 .0029 -.0042 |
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O20 .60103 -.6616 .9466 .0278 .0217 .0361 .032 .0179 .0044 -.0029 |
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O21 .63624 -.1729 .8503 .0358 .0272 .0403 .042 .0145 .0038 -.0056 |
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O22 .5516 -.1773 .1464 .0451 .049 .061 .034 .031 .0031 -.0168 |
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O23 .50272 -.2450 .7803 .0293 .0253 .0383 .028 .0164 .0048 .0006 |
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O24 .56287 -.3481 .0111 .0293 .0231 .0378 .028 .0121 .0024 -.0014 |
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Oh1 .04870 -.5447 .2186 .0222 .0196 .0329 .0191 .0154 .0025 .0019 |
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Oh2 .44786 -.4633 .7795 .0239 .0191 .0402 .0185 .0183 -.0002 .0012 |
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Oh3 .17697 -.5480 .2742 .0275 .0186 .0369 .032 .0163 .0043 .0000 |
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Oh4 .31765 -.4677 .7122 .0269 .0187 .0384 .0287 .0166 .0021 .0003 |
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Ow1 .2063 .0604 .9057 .0463 .035 .055 .057 .0261 -.0017 -.0013 |
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Ow2 .3030 -.0422 .0484 .0525 .048 .049 .069 .0279 -.006 -.009 |
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Ow3 .3317 .0641 .5987 .0493 .031 .055 .058 .0128 .0007 .0003 |
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Ow4 .18088 -.0411 .4540 .0420 .0315 .046 .051 .0169 .0094 .0117 |
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Ow5 .5118 -.0896 .4952 .81 .055 .067 .037 .065 .024 .019 -.001 |
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Ow5a .5430 -.0513 .580 .19 .016 |
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Ow6 .4351 -.0811 -.0316 .074 .043 .064 .107 .008 .029 -.031 |
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Ow7 .08058 -.3478 .4741 .0302 .0242 .0462 .027 .0215 -.0003 -.0034 |
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Ow8 .24392 -.3480 .0223 .0354 .0222 .055 .035 .0212 .0080 .0099 |
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Ow9 .25235 -.6659 -.0319 .0405 .0243 .061 .042 .0227 .0038 .0095 |
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Ow10 .41618 -.6605 .5293 .0365 .0326 .060 .027 .0293 -.0038 -.0094 |
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Ow11 -.04042 -.9434 .4174 .0332 .0251 .0419 .039 .0191 .0064 .0025 |
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Ow12 .06999 -.9514 .0746 .0351 .0305 .0418 .034 .0152 .0044 .0033 |
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View JMOL 3-D Structure (permalink) |
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