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Zincroselite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 16 (2004) 353-359 |
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The crystal structures of zincroselite and gaitite: Two natural |
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polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0007062 |
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5.827 12.899 5.646 90 107.69 90 P2_1/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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CaA .5625 .12160 .2295 .0111 .0098 .0120 .0120 -.0010 .0039 -.0016 |
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ZnM 0 0 0 .86 .0142 .0118 .0150 .0150 .0002 .0026 -.0039 |
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MgM 0 0 0 .14 .0142 .0118 .0150 .0150 .0002 .0026 -.0039 |
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AsX .21853 .12058 .56501 .0093 .0089 .0097 .0089 .0001 .0020 .0002 |
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O1 .2843 .0540 .8375 .0148 .0112 .0146 .0179 .0035 .0033 .0007 |
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O2 .2396 .0358 .3423 .0127 .0120 .0129 .0120 .0004 .0021 .0033 |
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O3 .9446 .1734 .4952 .0142 .0142 .0138 .0150 -.0039 .0052 -.0002 |
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O4 .4394 .2064 .5696 .0143 .0136 .0154 .0142 -.0017 .0047 -.0053 |
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O5 .8157 .1393 .9634 .0130 .0147 .0122 .0114 -.0016 .0029 .0008 |
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H1 .898 .195 .986 .0177 |
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H2 .731 .148 .841 .0426 |
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Gaitite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 16 (2004) 353-359 |
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The crystal structures of zincroselite and gaitite: Two natural |
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polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia |
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Note: c cell edge corrected by authors |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0007063 |
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5.899 6.978 5.575 97.41 109.08 108.09 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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CaA .29405 .76227 .65237 .0098 .0101 .0109 .0086 .0041 .0039 .0021 |
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ZnM 0 0 0 .58 .0089 .0093 .0089 .0093 .0044 .0038 .0019 |
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MgM 0 0 0 .42 .0089 .0093 .0089 .0093 .0044 .0038 .0019 |
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AsX .33451 .24613 .67138 .0072 .0074 .0077 .0070 .0032 .0027 .0022 |
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O1 .3429 .1298 .9218 .0112 .0106 .0141 .0110 .0055 .0047 .0065 |
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O2 .2401 .0504 .4010 .0130 .0146 .0138 .0086 .0067 .0019 -.0001 |
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O3 .1552 .3916 .6420 .0111 .0116 .0121 .0123 .0071 .0049 .0044 |
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O4 .6417 .3851 .7159 .0114 .0082 .0119 .0127 .0021 .0042 .0030 |
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O5 .9541 .2737 .0736 .0111 .0101 .0102 .0109 .0032 .0022 .0029 |
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H1 .088 .360 .133 .0220 |
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H2 .883 .294 .967 .0369 |
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Stanekite |
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Keller P, Lissner F, Schleid T |
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European Journal of Mineralogy 18 (2006) 113-118 |
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The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, |
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Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O |
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Locality: Okatjimukuju, Karibib, Namibia |
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Note: Uiso(O4) corrected |
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_database_code_amcsd 0007141 |
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11.835 6.328 9.983 90 105.81 90 I2/a |
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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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Fe1 .20327 .01560 .19583 .48 .0278 .0213 .0365 .0218 .0070 -.0003 -.0002 |
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Mn1 .20327 .01560 .19583 .49 .0278 .0213 .0365 .0218 .0070 -.0003 -.0002 |
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Fe2 .11265 .13956 .45334 .62 .0217 .0268 .0135 .0209 .0003 -.0002 .0002 |
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Mn2 .11265 .13956 .45334 .32 .0217 .0268 .0135 .0209 .0003 -.0002 .0002 |
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P .07306 .65435 .37918 .0190 .0181 .0148 .0213 -.0001 .0008 -.0002 |
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O1 .0530 .8381 .4701 .0290 .0413 .0193 .0230 .0033 .0032 -.0019 |
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O2 .4597 .3960 .2671 .0255 .0214 .0285 .0219 .0041 -.0017 .0061 |
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O3 .1705 .7064 .3109 .0333 .0307 .0336 .0356 -.0055 .0092 .0006 |
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O4 .1125 .4640 .4761 .0230 .0249 .0181 .0230 .0025 .0012 .0044 |
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O5 .2631 .1565 .3743 .0345 .0314 .0363 .0283 .0051 -.0050 -.0116 |
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Na(NaMn)7Mn22(PO4)18*0.5H2O |
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Keller P, Hatert F, Lissner F, Schleid T, Fransolet A M |
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European Journal of Mineralogy 18 (2006) 765-774 |
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Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, |
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a new compund of fillowite structure type |
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_database_code_amcsd 0007182 |
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15.2741 15.2741 43.334 90 90 120 R-3 |
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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 0 0 0 .0256 .0282 .0282 .0202 0 0 .0141 |
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Mn2 0 0 .5 .0162 .0167 .0167 .0153 0 0 .0083 |
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Mn3 0 0 .10018 .0179 .0177 .0177 .0182 0 0 .0088 |
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Mn4 0 0 .32434 .0158 .0166 .0166 .0142 0 0 .0083 |
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Mn5 0 0 .39899 .0172 .0172 .0172 .0174 0 0 .0086 |
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Mn6 .42812 .24537 .05085 .0210 .0192 .0275 .0179 -.0007 -.0002 .0129 |
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Mn7 .11219 .57486 .03720 .0206 .0196 .0241 .0183 .0008 -.0008 .0109 |
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Mn8 .00445 .32554 .08186 .0177 .0169 .0189 .0172 .0018 .0014 .0090 |
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Mn9 .26385 .32804 .08524 .0195 .0213 .0196 .0173 -.0003 -.0006 .0099 |
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Mn10 .57335 .08199 .12377 .0238 .0251 .0163 .0288 .0032 .0087 .0094 |
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Mn11 .22349 .10704 .13345 .0209 .0192 .0194 .0245 .0033 .0045 .0098 |
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Na12 .2758 .3010 .0003 .58 .0307 .033 .039 .025 -.006 -.002 .022 |
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Mn12 .2502 .2738 .00287 .42 .0307 .033 .039 .025 -.006 -.002 .022 |
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Na13 0 0 .17489 .28 .0210 .0226 .0226 .018 0 0 .0113 |
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Mn13 0 0 .17489 .05 .0210 .0226 .0226 .018 0 0 .0113 |
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Na21 0 0 .24893 .0313 .037 .037 .020 0 0 .0186 |
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Na31 .0829 .4296 .16468 .93 .0361 .058 .052 .021 .0050 .0022 .044 |
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Mn31 .0829 .4296 .16468 .07 .0361 .058 .052 .021 .0050 .0022 .044 |
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P1 .19002 .43219 .02818 .0171 .0193 .0181 .0144 .0010 .0007 .0097 |
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P2 .53382 .11384 .03978 .0176 .0214 .0169 .0154 .0017 .0022 .0103 |
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P3 .54159 .09200 .19919 .0171 .0177 .0159 .0170 -.0007 .0003 .0078 |
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P4 .21748 .12237 .20971 .0173 .0171 .0164 .0181 -.0017 -.0026 .0083 |
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P5 .22252 .46132 .22164 .0153 .0170 .0147 .0141 .0005 -.0001 .0078 |
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P6 .46731 .22037 .27971 .0189 .0166 .0207 .0203 -.0011 -.0003 .0101 |
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O1 .1537 .3801 -.00295 .0371 .059 .025 .019 -.003 -.004 .015 |
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O2 .2607 .5484 .02560 .0288 .034 .024 .018 .000 .001 .007 |
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O3 .2516 .3903 .0438 .0358 .035 .050 .034 .015 .008 .030 |
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O4 .0988 .4179 .04655 .0249 .021 .026 .028 .002 .002 .012 |
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O5 .4609 .1271 .06093 .0219 .021 .021 .023 .001 .006 .010 |
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O6 .5562 .0330 .05233 .0236 .024 .019 .028 .001 -.004 .011 |
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O7 .6371 .2142 .03960 .0242 .023 .020 .029 .005 .006 .011 |
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O8 .4887 .0896 .00756 .0315 .049 .032 .018 -.002 -.003 .024 |
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O9 .5391 .0315 .17090 .0272 .034 .023 .021 -.003 .005 .012 |
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O10 .6265 .2038 .19680 .0206 .020 .017 .022 .000 .003 .007 |
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O11 .4395 .0897 .20210 .0223 .018 .021 .028 .003 -.001 .009 |
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O12 .5519 .0422 .22887 .0219 .023 .021 .023 .002 -.002 .011 |
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O13 .2346 .0796 .18002 .0309 .042 .033 .022 -.009 -.005 .022 |
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O14 .1233 .1334 .20714 .0260 .018 .025 .036 -.002 -.006 .011 |
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O15 .8902 .2427 .11622 .0221 .022 .023 .024 .004 .004 .013 |
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O16 .1996 .0430 .23475 .0254 .034 .022 .021 .001 -.005 .014 |
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O17 .2673 .5280 .19369 .0272 .035 .021 .022 .004 .004 .011 |
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O18 .1045 .3993 .21904 .0205 .019 .022 .020 -.002 .000 .009 |
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O19 .2542 .3795 .22192 .0212 .025 .021 .020 -.001 -.001 .013 |
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O20 .2486 .5209 .25210 .0229 .030 .017 .020 -.003 -.003 .011 |
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O21 .5212 .2538 .2486 .0331 .024 .035 .034 .004 .009 .010 |
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O22 .3833 .1071 .27509 .0243 .022 .021 .027 -.001 .004 .009 |
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O23 .4132 .2799 .2869 .0325 .034 .032 .041 .007 .006 .023 |
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O24 .5330 .2237 .3061 .047 .051 .066 .043 -.027 -.028 .045 |
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Wat25 .585 .129 .3140 .16 .017 .03 .03 .010 .006 .001 .021 |
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Yb[AsO4] |
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Kang D H, Hoss P, Schleid T |
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Acta Crystallographica E61 (2005) i270-i272 |
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Xenotime-type Yb[AsO4] |
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Locality: synthetic |
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_database_code_amcsd 0010467 |
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6.9712 6.9712 6.2431 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Yb 0 .75 .1250 .00581 .00622 .00622 .00497 0 0 0 |
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As 0 .25 .3750 .00456 .0049 .0049 .0038 0 0 0 |
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O 0 .4329 .1990 .0101 .0149 .0074 .0080 0 0 .0031 |
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Joosteite |
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Keller P, Lissner F, Schleid T |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 184 (2007) 225-230 |
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The crystal structure of joosteite, (Mn2+,Mn3+,Fe3+)2[PO4]O, from the Helikon II mine, |
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Karibib (Namibia), and its relationship to stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O |
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Note: M1 and M2 Fe/Mn occupancies not determined, below are estimates |
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Locality: Helikon II mine, Karibib, Namibia |
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_database_code_amcsd 0014727 |
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11.888 6.409 9.804 90 106.17 90 I2/a |
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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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MnM1 .20305 .00704 .19432 .793 .0342 .0272 .0455 .0261 .0012 .0013 .0030 |
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FeM1 .20305 .00704 .19432 .159 .0342 .0272 .0455 .0261 .0012 .0013 .0030 |
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MnM2 .11156 .14042 .45274 .643 .0321 .0398 .0262 .0242 -.0001 -.0014 -.0003 |
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FeM2 .11156 .14042 .45274 .321 .0321 .0398 .0262 .0242 -.0001 -.0014 -.0003 |
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P .07267 .65914 .37803 .0271 .0258 .0237 .0255 -.0001 .0029 .0004 |
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O1 .0507 .8358 .4719 .0398 .0571 .0309 .0284 .0017 .0069 -.0041 |
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O2 .9593 .6086 .2631 .0326 .0298 .0377 .0269 -.0013 .0024 .0029 |
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O3 .1682 .7170 .3099 .0432 .0341 .0519 .0444 -.0042 .0124 .0066 |
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O4 .1140 .4688 .4730 .0353 .0321 .0344 .0368 .0046 .0055 .0060 |
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O5 .2653 .1559 .3762 .0522 .0499 .0541 .0398 .0134 -.0085 -.0142 |
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Damaraite |
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Keller P, Lissner F, Schleid T |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 326-336 |
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Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula |
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Locality: Kombat mine, Namibia |
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_database_code_amcsd 0014912 |
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5.813 6.921 15.192 90 90 90 Pmc2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .5 .41368 .30349 .0194 .0175 .0302 .0104 -.0041 0 0 |
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Pb2 .5 .20455 .09124 .0156 .0187 .0125 .0155 -.0013 0 0 |
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Pb3 .5 .29299 .53775 .0158 .0181 .0126 .0168 -.0015 0 0 |
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Pb4 0 .46542 .66357 .0153 .0179 .015 .0131 .0019 0 0 |
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Pb5 0 .37603 .93753 .0169 .0176 .0214 .0116 -.0036 0 0 |
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Pb6 0 .07363 .27427 .0153 .0184 .0125 .015 .0022 0 0 |
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O1 .2496 .4571 .0425 .0180 .0205 .0126 .0208 -.0045 .0043 -.0011 |
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O2 .2520 .2850 .2123 .0250 .0285 .0307 .0159 .0101 -.0049 -.0012 |
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Oh3 .5 .3328 .6914 .0253 .0472 .0119 .0166 .0009 0 0 |
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Oh4 0 .2951 .3908 .0491 .0674 .0528 .0269 -.0225 0 0 |
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Cl1 0 .0295 .5607 .0306 .0285 .0392 .024 .0049 0 0 |
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Cl2 .5 .0541 .8641 .0366 .0365 .0431 .0301 .0055 0 0 |
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H1 .5 .210 .729 .02 |
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H2 0 .177 .442 .02 |
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Arsendescloizite |
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Keller P, Lissner F, Schleid T |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 374-384 |
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The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia) |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0014924 |
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7.646 9.363 6.077 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .36712 .17148 .02753 .0161 .0135 .0141 .0206 -.0001 .0003 .0008 |
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Zn .23436 .50774 .23869 .0161 .0176 .0192 .0116 -.0030 .0023 -.0007 |
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As .38125 .81220 -.01024 .0101 .0089 .0106 .0108 -.0002 .0005 -.0007 |
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O1 .4425 .4220 .4932 .015 .011 .018 .015 .001 .004 .003 |
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O2 .2945 .0830 .4475 .020 .014 .016 .029 .003 .001 .003 |
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O3 .1363 .2812 .7304 .018 .018 .021 .015 -.002 -.001 -.005 |
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O4 .6081 .2039 .7352 .013 .014 .012 .013 -.001 .001 .002 |
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O5 .1112 .5654 .5057 .010 .015 .007 .008 -.002 .001 .002 |
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H .018 .492 .490 .134 |
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Fluorthalenite-(Y) |
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Schleid T, Muller-Bunz H |
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Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1082-1084 |
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Einkristalle von Y3F[Si3O10] im thalenit-typ |
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Locality: synthetic |
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_database_code_amcsd 0015816 |
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7.3038 11.1247 10.3714 90 97.235 90 P2_1/n |
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atom x y z Uiso |
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Y1 .29994 .40243 .49603 .0039 |
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Y2 .40413 .26968 .81174 .0043 |
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Y3 .26328 .03243 .51828 .0030 |
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F .1941 .2166 .4394 .0099 |
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Si1 .0235 .0860 .7411 .0046 |
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Si2 .2328 .2459 .1120 .0046 |
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Si3 .4940 .0389 .2088 .0048 |
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O1 .0136 .0251 .3616 .0079 |
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O2 .0404 .0504 .8914 .0081 |
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O3 .2059 .1446 .6970 .0082 |
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O4 .3428 .3241 .2318 .0098 |
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O5 .2697 .3186 .9840 .0095 |
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O6 .0176 .2288 .1207 .0073 |
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O7 .3198 .1106 .1250 .0093 |
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O8 .1856 .3946 .6931 .0078 |
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O9 .4652 .0219 .3612 .0082 |
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O10 .0238 .4131 .3705 .0087 |
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