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Medenbachite |
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Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K |
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American Mineralogist 81 (1996) 505-512 |
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Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its |
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description and crystal structure |
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Sample: 8.0.376, single Bi atom model |
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_database_code_amcsd 0001790 |
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4.581 6.178 8.969 94.29 99.93 94.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi .2077 .3114 .3917 .0815 .0287 .0275 .0213 -.0152 .0023 |
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Fe1 0 0 0 .0197 .0205 .0297 .0009 .0019 .0095 |
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Cu2 0 .5 0 .88 .0202 .0179 .0262 .0008 .0012 .0102 |
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Fe2 0 .5 0 .12 .0202 .0179 .0262 .0008 .0012 .0102 |
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As .5411 .7998 .2178 .0205 .0209 .0254 .0006 .0006 .0096 |
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O1 .314 .565 .198 .0217 .020 .031 -.004 .002 .012 |
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O2 .145 .742 .899 .009 .028 .034 -.005 -.003 .013 |
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O3 .338 .012 .182 .025 .020 .037 .002 -.008 .004 |
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O4 .245 .224 .916 .019 .021 .031 .002 .010 .004 |
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O5 .277 .617 .541 .018 .032 .045 -.001 -.002 -.008 |
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O6 .246 .139 .611 .033 .039 .025 .001 -.006 .009 |
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Medenbachite |
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Krause W, Bernhardt H J, Gebert W, Graetsch H, Belendorff K, Petitjean K |
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American Mineralogist 81 (1996) 505-512 |
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Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its |
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description and crystal structure |
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Sample: 8.0.376, split Bi atom model |
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_database_code_amcsd 0001791 |
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4.581 6.178 8.969 94.29 99.93 94.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .1589 .2996 .3953 .5 .0221 .0249 .0257 .0028 -.0060 .0044 |
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Bi2 .2541 .3223 .3883 .5 .0190 .0208 .0274 .0006 -.0054 .0063 |
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Fe1 0 0 0 .0197 .0205 .0297 .0009 .0019 .0095 |
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Cu2 0 .5 0 .88 .0202 .0179 .0262 .0008 .0012 .0102 |
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Fe2 0 .5 0 .12 .0202 .0179 .0262 .0008 .0012 .0102 |
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As .5411 .7998 .2178 .0205 .0209 .0254 .0006 .0006 .0096 |
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O1 .314 .565 .198 .0217 .020 .031 -.004 .002 .012 |
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O2 .145 .742 .899 .009 .028 .034 -.005 -.003 .013 |
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O3 .338 .012 .182 .025 .020 .037 .002 -.008 .004 |
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O4 .245 .224 .916 .019 .021 .031 .002 .010 .004 |
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O5 .277 .617 .541 .018 .032 .045 -.001 -.002 -.008 |
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O6 .246 .139 .611 .033 .039 .025 .001 -.006 .009 |
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Tschortnerite |
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Effenberger H, Giester G, Krause W, Bernhardt H J |
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American Mineralogist 83 (1998) 607-617 |
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Tschortnerite, a copper-bearing zeolite from the Bellberg volcano, Eifel, |
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Germany |
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_database_code_amcsd 0002008 |
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31.62 31.62 31.62 90 90 90 Fm3m |
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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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Ca1 .09965 .09965 .09965 .0259 .0259 .0259 .0021 .0021 .0021 |
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Ca2 .20984 .20984 .20984 .0156 .0156 .0156 -.0011 -.0011 -.0011 |
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CaM .17945 .27909 0 .27 .0384 .0407 .0229 -.0110 0 0 |
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SrM .17945 .27909 0 .18 .0384 .0407 .0229 -.0110 0 0 |
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KM .17945 .27909 0 .12 .0384 .0407 .0229 -.0110 0 0 |
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BaM .17945 .27909 0 .05 .0384 .0407 .0229 -.0110 0 0 |
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Cu .07339 .07339 0 .0308 .0308 .0263 -.0013 0 0 |
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Si1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Al1 .10993 .18083 .24967 .5 .0119 .0117 .0112 .0005 -.0008 -.0016 |
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Si2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Al2 .05044 .12239 .19243 .5 .0101 .0119 .0141 .0007 -.0016 -.0008 |
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Ot1 .06740 .15559 .23003 .0174 .0212 .0188 -.0022 .0002 -.0026 |
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Ot2 .21169 .21169 .13239 .0200 .0200 .0123 -.0002 -.0001 -.0001 |
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Ot3 .21022 .21022 .40798 .0164 .0164 .0174 .0039 -.0014 -.0014 |
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Ot4 .14640 .14640 .26611 .0254 .0254 .0147 .0051 .0000 .0000 |
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Ot5 .14402 .14402 .05687 .0180 .0180 .0430 -.0012 -.0017 -.0017 |
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Ot6 .07720 .07720 .19159 .0190 .0190 .0385 .0064 -.0046 -.0046 |
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Ot7 .11259 .20286 0 .0310 .0366 .0105 -.0048 0 0 |
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OH1 .04506 .04506 .10539 .0256 .0256 .0308 .0022 -.0005 -.0005 |
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OH2 .28335 .28335 .28335 .0164 .0164 .0164 .0002 .0002 .0002 |
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ClX 0 0 0 .224 .011 |
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Wat1 .041 0 0 .181 .068 |
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Wat2 .0262 .0262 .0262 .243 .050 |
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WatD6 .1467 .1467 .1467 .123 |
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Wat8 .0159 .1842 0 .305 .111 |
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WatD8 .2087 .2339 0 .5 .047 |
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WatT1 .0085 .1316 .3048 .220 .132 |
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WatT2 .3599 .3599 .3599 .072 |
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WatT3 .0336 .0336 .2642 .195 .10 |
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WatT4 .0714 .0888 .3105 .189 .10 |
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WatT5 .0514 .1204 .3298 .400 .213 |
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Neustadtelite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002815 |
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4.566 6.158 8.972 95.52 99.51 92.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .1615 .2955 .4012 .49 .0404 .0272 .0253 .0153 .0036 .0010 |
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Ca1 .1615 .2955 .4012 .01 .0404 .0272 .0253 .0153 .0036 .0010 |
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Bi2 .2590 .3225 .3934 .49 .0350 .0247 .0253 .0114 .0031 .0023 |
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Ca2 .2590 .3225 .3934 .01 .0350 .0247 .0253 .0114 .0031 .0023 |
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FeM1 0 0 0 .0194 .0188 .0191 .0070 .0017 .0018 |
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FeM2 0 .5 0 .5 .0171 .0147 .0177 .0054 .0038 .0045 |
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CoM2 0 .5 0 .38 .0171 .0147 .0177 .0054 .0038 .0045 |
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NiM2 0 .5 0 .04 .0171 .0147 .0177 .0054 .0038 .0045 |
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AlM2 0 .5 0 .05 .0171 .0147 .0177 .0054 .0038 .0045 |
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ZnM2 0 .5 0 .01 .0171 .0147 .0177 .0054 .0038 .0045 |
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CuM2 0 .5 0 .01 .0171 .0147 .0177 .0054 .0038 .0045 |
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As .5462 .7913 .21425 .0208 .0189 .0196 .0075 .0029 .0031 |
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O1 .3281 .5603 .1963 .025 .020 .032 .007 .003 .011 |
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OH2 .1531 .7427 .8902 .024 .022 .025 .003 -.003 .007 |
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O3 .3443 .0063 .1764 .015 .026 .028 .004 -.001 .007 |
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O4 .2269 .2422 .9198 .028 .026 .018 .013 .007 .002 |
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O5 .2699 .6196 .5353 .026 .040 .020 .005 -.004 -.008 |
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O6 .2472 .1436 .6133 .034 .040 .025 .007 -.007 -.003 |
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Cobaltneustadtelite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002816 |
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9.144 6.146 9.337 83.30 70.67 87.14 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi12 .09029 .31050 .60632 .0624 .0265 .0215 -.0173 -.0141 -.0004 |
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Bi1 .6241 .2935 .5993 .475 .0473 .0355 .0273 -.0148 -.0094 -.0034 |
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Ca1 .6241 .2935 .5993 .025 .0473 .0355 .0273 -.0148 -.0094 -.0034 |
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Bi2 .5601 .3258 .6115 .475 .0426 .0310 .0269 -.0091 -.0130 -.0014 |
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Ca2 .5601 .3258 .6115 .025 .0426 .0310 .0269 -.0091 -.0130 -.0014 |
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FeM1 0 0 0 .0102 .0177 .0159 .0003 -.0052 -.0031 |
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FeM2 0 .5 0 .63 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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CoM2 0 .5 0 .16 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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NiM2 0 .5 0 .19 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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ZnM2 0 .5 0 .02 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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As .1666 .2080 .2147 .0172 .0186 .0169 .0013 -.0080 -.0047 |
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O1 .0658 .4426 .1952 .009 .027 .015 .012 .001 -.001 |
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OH2 .1318 .2563 .8879 .004 .025 .019 .003 -.001 -.005 |
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O3 .0800 -.0081 .1801 .018 .018 .027 .001 -.012 .000 |
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O4 .3445 .2432 .0832 .019 .022 .021 .010 -.009 -.016 |
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OH5 .1296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O5 .1296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O6 .1824 .1427 .3897 .039 .050 .027 .018 -.028 -.006 |
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FeM1* .5 0 0 .0102 .0177 .0159 .0003 -.0052 -.0031 |
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FeM2* .5 .5 0 .63 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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CoM2* .5 .5 0 .16 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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NiM2* .5 .5 0 .19 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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ZnM2* .5 .5 0 .02 .0144 .0181 .0193 .0042 -.0071 -.0070 |
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As* .6666 .2080 .2147 .0172 .0186 .0169 .0013 -.0080 -.0047 |
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O1* .5658 .4426 .1952 .009 .027 .015 .012 .001 -.001 |
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OH2* .6318 .2563 .8879 .004 .025 .019 .003 -.001 -.005 |
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O3* .5800 -.0081 .1801 .018 .018 .027 .001 -.012 .000 |
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O4* .8445 .2432 .0832 .019 .022 .021 .010 -.009 -.016 |
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OH5* .6296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O5* .6296 .6231 .4666 .5 .006 .040 .027 -.008 -.009 .013 |
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O6* .6824 .1427 .3897 .039 .050 .027 .018 -.028 -.006 |
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Medenbachite |
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Krause W, Bernhardt H J, McCammon C A, Effenberger H |
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American Mineralogist 87 (2002) 726-738 |
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Neustadtelite and cobaltneustadtelite, the Fe- and Co- analogues of medenbachite |
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_database_code_amcsd 0002817 |
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9.162 6.178 9.341 83.50 71.04 85.15 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi12 .09222 .3115 .6089 .0308 .0160 .0117 -.0015 -.0066 -.0016 |
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Bi1 .6361 .2892 .5986 .5 .050 .048 .032 -.008 -.011 .002 |
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Bi2 .5520 .3308 .6168 .5 .053 .039 .029 -.003 -.011 -.005 |
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FeM1 0 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2 0 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As .1610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1 .0600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2 .1244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3 .0765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4 .3365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5 .1322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6 .1830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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FeM1* .5 0 0 .024 .027 .021 .000 -.008 -.002 |
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CuM2* .5 .5 0 .027 .022 .025 .004 -.010 -.006 |
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As* .6610 .1995 .2180 .0302 .0265 .0204 .0011 -.0094 -.0035 |
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O1* .5600 .436 .1982 .016 .029 .033 -.001 -.010 -.005 |
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OH2* .6244 .254 .9000 .026 .037 .021 -.003 -.013 -.006 |
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O3* .5765 -.012 .1844 .036 .022 .035 .008 -.023 -.008 |
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O4* .8365 .230 .0830 .047 .036 .016 .020 -.008 -.013 |
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OH5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O5* .6322 .618 .4591 .5 .033 .037 .040 -.006 -.021 .001 |
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O6* .6830 .142 .3904 .031 .044 .017 .003 -.005 -.004 |
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Fluorapatite |
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Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
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American Mineralogist 89 (2004) 629-632 |
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Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
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spectroscopic investigations |
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_database_code_amcsd 0003527 |
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9.3429 9.3429 6.8110 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
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Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
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Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
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Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
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P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
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O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
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O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
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O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
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F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
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Apatite-(CaF) |
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Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
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American Mineralogist 89 (2004) 629-632 |
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Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
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spectroscopic investigations |
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_database_code_amcsd 0003528 |
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9.3429 9.3429 6.8110 90 90 120 P6_3/m |
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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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Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
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Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
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Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
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Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
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P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
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O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
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O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
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O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
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F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
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Zoltaiite |
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Bartholomew P R, Mancini F, Cahill C L, Harlow G E, Bernhardt H J |
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American Mineralogist 90 (2005) 1655-1660 |
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Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: |
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Description and crystal structure |
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Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada |
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_database_code_amcsd 0003940 |
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7.601 7.601 9.219 90 90 120 P-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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Ba 0 0 .5 .0093 .0098 .0098 .0084 .0049 0 0 |
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V3+1 .2070 .9557 .1377 .915 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Fe3+1 .2070 .9557 .1377 .06 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Fe2+1 .2070 .9557 .1377 .02 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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Mg1 .2070 .9557 .1377 .005 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
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V3+2 .0869 .4589 .6355 .928 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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Cr2 .0869 .4589 .6355 .056 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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Al2 .0869 .4589 .6355 .003 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
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V4+3 1/3 2/3 .3578 .345 .0082 .0081 .0081 .0085 .0040 0 0 |
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Ti4+3 1/3 2/3 .3578 .655 .0082 .0081 .0081 .0085 .0040 0 0 |
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Si 1/3 2/3 .9409 .0067 .0079 .0079 .0042 .0039 0 0 |
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O1 .1777 .7455 .9908 .0073 .0074 .0071 .0087 .0045 .0008 -.0010 |
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O2 .2957 .4474 .5043 .0092 .0097 .0073 .0084 .0025 .0002 .0006 |
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O3 2/3 1/3 .2403 .0077 .0087 .0087 .0056 .0043 0 0 |
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O4 .0385 .2255 .7511 .0076 .0087 .0095 .0063 .0058 -.0014 -.0008 |
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O5 .0952 .4839 .2593 .0080 .0085 .0083 .0074 .0042 -.0006 -.0037 |
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O6 0 0 0 .0066 .0047 .0047 .0105 .0023 0 0 |
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Mrazekite |
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Effenberger H, Krause W, Belendorff K, Bernhardt H J, Medenbach O, Hybler J, Petricek V |
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The Canadian Mineralogist 32 (1994) 365-372 |
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Revision of the crystal structure of mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O |
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_database_code_amcsd 0005364 |
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9.065 6.340 21.239 90 101.57 90 P2_1/n |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .36464 .25135 .04570 .0185 .0160 .0155 .0003 .0034 .0002 |
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Bi2 .38662 .19971 .20523 .0173 .0161 .0147 .0000 .0031 .0000 |
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Cu1 0 0 0 .0171 .0173 .0248 -.0016 .0037 -.0001 |
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Cu2 0 .5 0 .0174 .0167 .0248 .0023 .0039 .0007 |
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Cu3 .3719 .7251 .1251 .0276 .0134 .0151 .0000 .0035 .0002 |
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Cu4 .7461 .4532 .2469 .0171 .0188 .0247 -.0024 .0041 .0001 |
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P1 .7237 .2688 .0281 .0178 .0164 .0166 .0007 .0042 .0004 |
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P2 .0284 .2192 .2226 .0181 .0160 .0147 -.0001 .0042 .0001 |
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O11 .631 .247 .0803 .020 .036 .028 .002 .007 .0000 |
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O12 .809 .064 .0224 .026 .015 .037 -.002 .006 .0000 |
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O13 .610 .315 -.0345 .030 .033 .014 -.006 .004 -.003 |
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O14 .832 .460 .0417 .022 .022 .031 .000 .005 .000 |
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O21 .115 .189 .1690 .012 .027 .017 -.002 .001 .000 |
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O22 -.056 .013 .2299 .020 .020 .033 .000 .006 -.002 |
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O23 -.081 .407 .2086 .022 .022 .039 .000 .009 .002 |
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O24 .147 .267 .2847 .023 .032 .019 .001 .005 -.001 |
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Oo1 .378 .025 .1200 .023 .018 .019 .004 .004 .003 |
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Oo2 .372 .425 .1307 .022 .014 .020 .002 .005 .000 |
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OH1 .652 .195 .2068 .024 .020 .019 -.001 .005 .000 |
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OH2 .099 .254 .0436 .018 .018 .026 .002 .003 .002 |
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Wat1 .065 .769 .1050 .034 .052 .026 -.008 .004 -.001 |
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Wat2 .685 .735 .1403 .064 .065 .021 -.012 -.002 .000 |
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Olenite |
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Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J |
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The Canadian Mineralogist 42 (2004) 1057-1063 |
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Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria: |
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Structural, chemical, and Mossbauer data |
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Locality: Eibenstein, Austria |
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_database_code_amcsd 0005974 |
|
15.938 15.938 7.136 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .7798 .52 .0276 .0276 .0248 .0138 0 0 |
|
CaX 0 0 .7798 .01 .0276 .0276 .0248 .0138 0 0 |
|
AlY .72829 .45658 .7055 .54 .0085 .0108 .0172 .0054 .0016 .0032 |
|
FeY2+ .72829 .45658 .7055 .276 .0085 .0108 .0172 .0054 .0016 .0032 |
|
MnY2+ .72829 .45658 .7055 .14 .0085 .0108 .0172 .0054 .0016 .0032 |
|
LiY .72829 .45658 .7055 .016 .0085 .0108 .0172 .0054 .0016 .0032 |
|
TiY4+ .72829 .45658 .7055 .01 .0085 .0108 .0172 .0054 .0016 .0032 |
|
AlZ .70225 .73887 .3913 .978 .0082 .0089 .0084 .0043 .0000 .0007 |
|
MgZ .70225 .73887 .3913 .022 .0082 .0089 .0084 .0043 .0000 .0007 |
|
SiT .80812 .81014 0 .955 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
AlT .80812 .81014 0 .028 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
FeT3+ .80812 .81014 0 .017 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
B .88999 .77998 .5474 .0094 .0093 .0108 .00465 .00025 .0005 |
|
O 0 0 .2269 .86 .0429 .0429 .0130 .02145 0 0 |
|
F 0 0 .2269 .14 .0429 .0429 .0130 .02145 0 0 |
|
O1 .93851 .87703 .5124 .0292 .0084 .0156 .0042 .00005 .0001 |
|
O2 .90588 .81175 .9301 .0102 .0175 .0138 .00875 -.00075 -.0015 |
|
O3 .79936 .59872 .8258 .0143 .0295 .0099 .01475 .0002 .0004 |
|
O4 .42739 .85479 .5743 .0108 .0184 .0134 .0092 -.0003 -.0006 |
|
O5 .80330 .81389 .2260 .0120 .0134 .0088 .0062 .0001 -.0004 |
|
O6 .71398 .71363 .9226 .0091 .0092 .0102 .0030 -.0001 -.0013 |
|
O7 .79027 .72932 .5615 .0086 .0136 .0126 .0060 .0011 .0032 |
|
H .793 .585 .961 .32 .0306 |
|
|
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|
| |
|
Ferrilotharmeyerite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006708 |
|
9.010 6.246 7.391 90 115.52 90 C2/m |
|
atom x y z occ Biso |
|
CaMe1 0 0 0 .92 |
|
FeMe2 .25 .25 .5 .497 .73 |
|
ZnMe2 .25 .25 .5 .503 .73 |
|
AsX .91466 .5 .20451 .60 |
|
OH1 .3439 .5 .4083 .92 |
|
O2 .3183 0 .3621 1.12 |
|
O3 .0339 .2798 .2453 .89 |
|
O4 .2429 .5 .0206 1.24 |
|
|
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|
| |
|
Thometzekite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006709 |
|
9.077 6.300 7.661 90 116.99 90 C2/m |
|
atom x y z occ Biso |
|
PbMe1 0 0 0 2.38 |
|
CuMe2 .25 .25 .5 1.44 |
|
AsX .9167 .5 .2097 .617 1.45 |
|
SX .9167 .5 .2097 .383 1.45 |
|
OH1 .3426 .5 .4204 1.91 |
|
O2 .3083 0 .3267 2.31 |
|
O3 .0308 .2887 .2623 1.83 |
|
O4 .2084 .5 .0180 2.82 |
|
|
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|
| |
|
Mounanaite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006710 |
|
9.294 6.166 7.713 90 115.57 90 C2/m |
|
atom x y z Biso |
|
PbMe1 0 0 0 1.82 |
|
FeMe2 .25 .25 .5 1.51 |
|
VX .9228 .5 .2256 1.29 |
|
F1 .3368 .5 .4183 1.43 |
|
O2 .3185 0 .3722 2.00 |
|
O3 .0406 .2729 .2663 1.40 |
|
O4 .2125 .5 -.0053 1.72 |
|
|
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|
| |
|
Gartrellite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006711 |
|
5.431 5.642 7.573 67.62 69.57 70.31 P-1 |
|
atom x y z Biso |
|
PbMe1 0 0 0 .07 |
|
FeMe2 0 .5 .5 1.40 |
|
CuMe2 .5 0 .5 1.40 |
|
AsX .4100 .4347 .7920 1.00 |
|
OH1 .146 .171 .4198 .62 |
|
O2 .284 .306 .6702 .62 |
|
O3a .251 .685 .2815 .62 |
|
O3b .686 .230 .2723 .62 |
|
O4 .261 .275 .0366 .62 |
|
|
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|
| |
|
Helmutwinklerite |
|
Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
| |
European Journal of Mineralogy 10 (1998) 179-206 |
|
Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
|
tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
|
_database_code_amcsd 0006712 |
|
5.606 5.610 7.617 70.19 69.91 69.18 P-1 |
|
atom x y z Biso |
|
PbMe1 0 0 0 2.72 |
|
Zn1 0 .5 .5 1.82 |
|
Zn2 .5 0 .5 1.84 |
|
AsX .42101 .42320 .77763 1.74 |
|
OH1 .1554 .1572 .4059 3.10 |
|
O2 .3131 .3093 .6509 1.89 |
|
O3a .2495 .6831 .2581 2.56 |
|
O3b .6842 .2471 .2610 2.42 |
|
O4 .2786 .2874 .0085 5.03 |
|
|
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|
| |
|
Schneebergite |
|
Krause W, Bernhardt H J, Effenberger H, Witzke T |
| |
European Journal of Mineralogy 14 (2002) 115-126 |
|
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: |
|
the first Bi-bearing members of the tsumcorite group |
|
Sample: #358 |
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Locality: Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0006924 |
|
9.005 6.211 7.440 90 115.19 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BiMe1 0 0 0 .653 .0137 .0160 .0111 .0156 0 .0081 0 |
|
CaMe1 0 0 0 .347 .0137 .0160 .0111 .0156 0 .0081 0 |
|
CoMe2 .25 .25 .5 .52 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
NiMe2 .25 .25 .5 .30 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
FeMe2 .25 .25 .5 .18 .0068 .0061 .0061 .0068 -.0001 .0013 -.0004 |
|
As .91418 .5 .20607 .0075 .0059 .0066 .0095 0 .0030 0 |
|
OH1 .3485 .5 .4138 .5 .0119 .011 .015 .009 0 .004 0 |
|
Wat1 .3485 .5 .4138 .5 .0119 .011 .015 .009 0 .004 0 |
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O2 .3186 0 .3599 .0117 .011 .011 .024 0 .017 0 |
|
O3 .0336 .2799 .2421 .0094 .009 .006 .010 .002 .000 -.002 |
|
O4 .2425 .5 .0198 .0172 .011 .027 .009 0 .000 0 |
|
|
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|
| |
|
Nickelschneebergite |
|
Krause W, Bernhardt H J, Effenberger H, Witzke T |
| |
European Journal of Mineralogy 14 (2002) 115-126 |
|
Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: |
|
the first Bi-bearing members of the tsumcorite group |
|
Sample: #374 |
|
Locality: Schneeberg, Saxony, Germany |
|
_database_code_amcsd 0006925 |
|
8.995 6.207 7.462 90 115.00 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BiMe1 0 0 0 .551 .0154 .0184 .0126 .0168 0 .0091 0 |
|
CaMe1 0 0 0 .449 .0154 .0184 .0126 .0168 0 .0091 0 |
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NiMe2 .25 .25 .5 .5 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
CoMe2 .25 .25 .5 .31 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
FeMe2 .25 .25 .5 .2 .0086 .0089 .0078 .0084 .0002 .0031 .0000 |
|
As .91509 .5 .20707 .0093 .0084 .0088 .0114 0 .0048 0 |
|
OH1 .3476 .5 .4141 .5 .017 .020 .017 .015 0 .008 0 |
|
Wat1 .3476 .5 .4141 .5 .017 .020 .017 .015 0 .008 0 |
|
O2 .3203 0 .3658 .009 .011 .006 .019 0 .014 0 |
|
O3 .0330 .2810 .2425 .012 .017 .009 .013 .004 .007 .000 |
|
O4 .2424 .5 .0204 .018 .022 .027 .004 0 .004 0 |
|
|
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|
| |
|
Olenite |
|
Schreyer W, Hughes J M, Bernhardt H J, Kalt A, Prowatke S, Ertl A |
| |
European Journal of Mineralogy 14 (2002) 935-942 |
|
Reexamination of olenite from the type locality: detection of boron |
|
in tetrahedral coordination |
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Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 |
|
Locality: Olenii Range, Kola Peninsula, Russia |
|
_database_code_amcsd 0006949 |
|
15.792 15.792 7.0878 90 90 120 R3m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .25 .541 1.81 .0240 .0240 .021 .012 0 0 |
|
CaX 0 0 .25 .023 1.81 .0240 .0240 .021 .012 0 0 |
|
AlY .27260 .54520 .3260 .691 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
LiY .27260 .54520 .3260 .210 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
MnY .27260 .54520 .3260 .029 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
FeY .27260 .54520 .3260 .014 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
AlZ .29652 .25998 .63031 .612 .0073 .0090 .0069 .00407 .0007 -.0002 |
|
SiT .19171 .18969 .02370 .909 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
BT .19171 .18969 .02370 .067 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
AlT .19171 .18969 .02370 .024 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
B .10907 .21814 .4752 .66 .0091 .0104 .0061 .0052 -.0001 -.0002 |
|
OH1 0 0 .7940 .832 1.55 .0232 .0232 .012 .0116 0 0 |
|
F1 0 0 .7940 .161 1.55 .0232 .0232 .012 .0116 0 0 |
|
O1 0 0 .7940 .006 1.55 .0232 .0232 .012 .0116 0 0 |
|
Cl1 0 0 .7940 .001 1.55 .0232 .0232 .012 .0116 0 0 |
|
O2 .06031 .12062 .5141 1.13 .0178 .0081 .0138 .00405 .0002 .0004 |
|
O3 .2605 .13025 .5298 1.08 .0244 .0130 .0075 .0122 -.0007 -.00035 |
|
O4 .09467 .18934 .0966 .95 .0106 .0170 .0107 .0085 -.0007 -.0014 |
|
O5 .1874 .0937 .1186 1.00 .0183 .0109 .0114 .00915 .0006 .0003 |
|
O6 .19402 .18334 .7960 .77 .0100 .0099 .0081 .0041 .0006 .0000 |
|
O7 .28704 .28646 .0985 .71 .0089 .0084 .0077 .0029 .0003 -.0012 |
|
O8 .20938 .27003 .4592 .76 .0076 .0111 .0102 .0046 .0003 .0023 |
|
H3 .205 .410 .085 -.24 |
|
|
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|
| |
|
Pertsevite-(F) |
| |
Schreyer W, Armbruster T, Bernhardt H J, Medenbach O |
| |
European Journal of Mineralogy 15 (2003) 1007-1018 |
|
Pertsevite, a new silication magnesioborate mineral with an end-member |
|
composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia |
|
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia |
|
_database_code_amcsd 0007020 |
|
20.490 4.571 11.890 90 90 90 Pna2_1 |
|
atom x y z occ Biso |
|
Mg1 .3780 .5195 .2506 .75 |
|
Mg2 .6179 .9879 .2455 .75 |
|
Mg3 .2464 .532 .1137 .75 |
|
Mg4 .2479 .532 .3903 .75 |
|
Mg5 .3784 .517 -.0205 .75 |
|
Mg6 .3768 .519 .5256 .75 |
|
Mg7 .4850 .995 .1234 .75 |
|
Mg8 .5117 .978 -.1227 .75 |
|
B1 .3435 .044 .418 .91 .36 |
|
Si1 .330 .117 .372 .09 .36 |
|
B2 .523 .530 .220 .60 .36 |
|
B2A .522 .58 .034 .15 .36 |
|
Si2 .5346 .576 .263 .25 .36 |
|
B3 .1848 .067 .243 .73 .36 |
|
Si3 .2103 .108 .258 .27 .36 |
|
B4 .3450 .079 .093 .36 |
|
O1 .3339 .766 .1148 .96 |
|
O2 .3375 .769 .390 .96 |
|
O3 .2033 .769 .256 .96 |
|
O4 .3286 .713 -.1505 .96 |
|
O5 .1705 .238 .1471 .96 |
|
O6 .4619 .750 -.0068 .48 .96 |
|
OH6 .4619 .750 -.0068 .16 .96 |
|
F6 .4619 .750 -.0068 .36 .96 |
|
O7 .5368 .249 .0082 .48 .96 |
|
OH7 .5368 .249 .0082 .16 .96 |
|
F7 .5368 .249 .0082 .36 .96 |
|
O8 .5308 .244 .245 .48 .96 |
|
OH8 .5308 .244 .245 .16 .96 |
|
F8 .5308 .244 .245 .36 .96 |
|
O9 .4013 .213 .1200 .96 |
|
O10 .3992 .219 .3856 .96 |
|
O11 .1992 .719 -.013 .96 |
|
O12 .3018 .211 .0189 .96 |
|
O13 .4663 .702 .250 .48 .96 |
|
OH13 .4663 .702 .250 .16 .96 |
|
F13 .4663 .702 .250 .36 .96 |
|
O14 .4239 .243 -.1228 .48 .96 |
|
OH14 .4239 .243 -.1228 .16 .96 |
|
F14 .4239 .243 -.1228 .36 .96 |
|
O15 .5675 .705 .1505 .96 |
|
O16 .2884 .317 .250 .48 .96 |
|
OH16 .2884 .317 .250 .16 .96 |
|
F16 .2884 .317 .250 .36 .96 |
|
|
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|
| |
|
Alumino-magnesiohulsite |
| |
Pertsev N N, Schreyer W, Armbruster T, Bernhardt H J, Medenbach O |
| |
European Journal of Mineralogy 16 (2004) 151-161 |
|
Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from |
|
east of Verkhoyansk, Sakha-Yakutia, Russia |
|
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia |
|
_database_code_amcsd 0007030 |
|
5.3444 3.0300 10.506 90 94.46 90 P2/m |
|
atom x y z occ Biso |
|
Fe3+1 0 0 0 .35 .57 |
|
Sn1 0 0 0 .30 .57 |
|
Al1 0 0 0 .30 .57 |
|
Fe2+1 0 0 0 .05 .57 |
|
Al2 .5 0 .5 .5 .57 |
|
Mg2 .5 0 .5 .5 .57 |
|
Al3 0 0 .5 .5 .57 |
|
Mg3 0 0 .5 .5 .57 |
|
Mg4 .5 .5 0 .9 .57 |
|
Fe2+4 .5 .5 0 .1 .57 |
|
Mg5 .2163 .5 .2802 .9 .57 |
|
Fe2+5 .2163 .5 .2802 .1 .57 |
|
B .289 0 .758 .4 |
|
O1 .309 0 .8901 .6 |
|
O2 .495 0 .3069 .5 |
|
O3 .054 0 .6947 .4 |
|
O4 .179 .5 .0934 .4 |
|
O5 .247 .5 .476 1.1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Aluminomagnesiohulsite |
| |
Pertsev N N, Schreyer W, Armbruster T, Bernhardt H J, Medenbach O |
| |
European Journal of Mineralogy 16 (2004) 151-161 |
|
Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from |
|
east of Verkhoyansk, Sakha-Yakutia, Russia |
|
Locality: east of Verkhoyansk, Sakha-Yakutia, Russia |
|
_database_code_amcsd 0007031 |
|
5.3444 3.0300 10.506 90 94.46 90 P2/m |
|
atom x y z occ Biso |
|
Fe3+1 0 0 0 .35 .57 |
|
Sn1 0 0 0 .30 .57 |
|
Al1 0 0 0 .30 .57 |
|
Fe2+1 0 0 0 .05 .57 |
|
Al2 .5 0 .5 .5 .57 |
|
Mg2 .5 0 .5 .5 .57 |
|
Al3 0 0 .5 .5 .57 |
|
Mg3 0 0 .5 .5 .57 |
|
Mg4 .5 .5 0 .9 .57 |
|
Fe2+4 .5 .5 0 .1 .57 |
|
Mg5 .2163 .5 .2802 .9 .57 |
|
Fe2+5 .2163 .5 .2802 .1 .57 |
|
B .289 0 .758 .4 |
|
O1 .309 0 .8901 .6 |
|
O2 .495 0 .3069 .5 |
|
O3 .054 0 .6947 .4 |
|
O4 .179 .5 .0934 .4 |
|
O5 .247 .5 .476 1.1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Olenite |
|
Ertl A, Schuster R, Prowatke S, Brandstatter F, Ludwig T, Bernhardt H J, Koller F, Hughes J M |
| |
European Journal of Mineralogy 16 (2004) 551-560 |
|
Mn-rich tourmaline and fluorapatite in a Variscan pegmatite |
|
from Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
Locality: Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
_database_code_amcsd 0007078 |
|
15.9158 15.9158 7.1201 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .84 .0276 |
|
CaX 0 0 .25 .03 .0276 |
|
KX 0 0 .25 .01 .0276 |
|
AlY .12372 .06186 -.3537 .48 .0113 |
|
Mn2+Y .12372 .06186 -.3537 .31 .0113 |
|
LiY .12372 .06186 -.3537 .18 .0113 |
|
Fe2+Y .12372 .06186 -.3537 .02 .0113 |
|
TiY .12372 .06186 -.3537 .01 .0113 |
|
AlZ .29774 .26107 -.3694 .00761 |
|
SiT .19196 .19001 .0196 .96 .00663 |
|
AlT .19196 .19001 .0196 .04 .00663 |
|
B .10984 .21968 .4736 .0082 |
|
F1 0 0 -.2003 .54 .0430 |
|
OH1 0 0 -.2003 .37 .0430 |
|
O1 0 0 -.2003 .09 .0430 |
|
O2 .06110 .12220 .5022 .0213 |
|
O3V .26752 .13376 -.4715 .0128 |
|
O4 .09337 .18674 .0906 .0106 |
|
O5 .18708 .09354 .1130 .0114 |
|
O6 .19707 .18690 -.2057 .0098 |
|
O7 .28589 .28612 .0993 .0083 |
|
O8 .20995 .27077 .4601 .0101 |
|
H3V .267 .1335 .416 .017 |
|
|
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|
| |
|
Stavelotite-(La) |
| |
Bernhardt H J, Armbruster T, Fransolet A M, Schreyer W |
| |
European Journal of Mineralogy 17 (2005) 703-714 |
|
Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium |
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Locality: Le Coreux, Salmchateau, Belgium |
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_database_code_amcsd 0007128 |
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11.525 11.525 33.347 90 90 120 P3_1 |
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atom x y z occ Uiso |
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La1 .5668 .7852 .1895 .0112 |
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La2 .2129 .1087 .1898 .0112 |
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La3 .8894 .4356 .1894 .0112 |
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Mn1 .5579 .9520 .2772 .72 .0078 |
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Fe1 .5579 .9520 .2772 .28 .0078 |
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Mn2 .3631 .1101 .2791 .72 .0078 |
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Fe2 .3631 .1101 .2791 .28 .0078 |
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Mn3 .4145 .6357 .2790 .72 .0078 |
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Fe3 .4145 .6357 .2790 .28 .0078 |
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Mn4 .7339 .7774 .2790 .72 .0078 |
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Fe4 .7339 .7774 .2790 .28 .0078 |
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Mn5 .0435 .9326 .2788 .0078 |
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Mn6 .2218 .2860 .2769 .72 .0078 |
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Fe5 .2218 .2860 .2769 .28 .0078 |
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Mn7 .7150 .2654 .2784 .72 .0078 |
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Fe6 .7150 .2654 .2784 .28 .0078 |
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Mn8 .0633 .4400 .2783 .72 .0078 |
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Fe7 .0633 .4400 .2783 .28 .0078 |
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Mn9 .8885 .5852 .2782 .72 .0078 |
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Fe8 .8885 .5852 .2782 .28 .0078 |
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Mn10 .2175 .2707 .0236 .72 .0078 |
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Fe9 .2175 .2707 .0236 .28 .0078 |
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Mn11 .0504 .4387 .0189 .72 .0078 |
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Fe10 .0504 .4387 .0189 .28 .0078 |
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Mn12 .5541 .4450 .0243 .0078 |
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Mn13 .2200 .7710 .0239 .0078 |
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Mn14 .8795 .1082 .0239 .0078 |
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Mn15 .3862 .2806 .3531 .72 .0078 |
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Fe11 .3862 .2806 .3531 .28 .0078 |
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Mn16 .2165 .9420 .3515 .72 .0078 |
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Fe12 .2165 .9420 .3515 .28 .0078 |
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Mn17 .7188 .4335 .3547 .72 .0078 |
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Fe13 .7188 .4335 .3547 .28 .0078 |
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Mn18 .8939 .2765 .3558 .72 .0078 |
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Fe14 .8939 .2765 .3558 .28 .0078 |
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Mn19 .3958 .7877 .3552 .72 .0078 |
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Fe15 .3958 .7877 .3552 .28 .0078 |
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Mn20 .0600 .6086 .3531 .72 .0078 |
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Fe16 .0600 .6086 .3531 .28 .0078 |
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Cu1 .0565 .1111 .3580 .0078 |
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Mn21 .3755 .2641 .1013 .72 .0078 |
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Fe17 .3755 .2641 .1013 .28 .0078 |
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Mn22 .7232 .9443 .0996 .72 .0078 |
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Fe18 .7232 .9443 .0996 .28 .0078 |
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Mn23 .0564 .6108 .0999 .72 .0078 |
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Fe19 .0564 .6108 .0999 .28 .0078 |
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Mn24 .2188 .9370 .1020 .72 .0078 |
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Fe20 .2188 .9370 .1020 .28 .0078 |
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Mn25 .5569 .6064 .1006 .72 .0078 |
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Fe21 .5569 .6064 .1006 .28 .0078 |
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Mn26 .7165 .4427 .1001 .72 .0078 |
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Fe22 .7165 .4427 .1001 .28 .0078 |
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Mn27 .3988 .7746 .0997 .72 .0078 |
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Fe23 .3988 .7746 .0997 .28 .0078 |
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Mn28 .0484 .1053 .1014 .72 .0078 |
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Fe24 .0484 .1053 .1014 .28 .0078 |
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Mn29 .8853 .2852 .0987 .72 .0078 |
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Fe25 .8853 .2852 .0987 .28 .0078 |
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Si1 .2378 .4605 .2060 .0084 |
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Si2 .5482 .4339 .1719 .0084 |
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Si3 .5379 .1097 .2069 .0084 |
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Si4 .2247 .7697 .1720 .0084 |
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Si5 .8871 .7588 .2065 .0084 |
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Si6 .8855 .1100 .1716 .0084 |
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Si7 .2228 .7759 .2683 .0084 |
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Si8 .5553 .4453 .2681 .0084 |
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Si9 -.1084 .1100 .2682 .0084 |
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Si10 .5519 .1058 .1099 .0084 |
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Si11 .2232 .4442 .1108 .0084 |
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Si12 .8860 .7720 .1106 .0084 |
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O1 .229 .775 .2210 .0132 |
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O2 .890 .117 .2189 .0132 |
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O3 .538 .973 .2200 .0132 |
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O4 .100 .457 .2207 .0132 |
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O5 .374 .596 .2225 .0132 |
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O6 .024 .892 .2213 .0132 |
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O7 .555 .634 .0397 .0132 |
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O8 .081 .108 .0443 .0132 |
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O9 .358 .246 .0471 .0132 |
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O10 .035 .587 .0415 .0132 |
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O11 .544 .429 .0878 .0132 |
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O12 .882 .306 .0387 .0132 |
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O13 .249 .476 .2917 .0132 |
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O14 .033 .253 .3797 .0132 |
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O15 .555 .299 .3741 .0132 |
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O16 .085 .435 .0922 .0132 |
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O17 .230 .643 .3738 .0132 |
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O18 .570 -.009 .0938 .0132 |
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O19 .343 .554 .0896 .0132 |
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O20 .425 .098 .0909 .0132 |
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O21 .667 .225 .0912 .0132 |
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O22 .224 .313 .0961 .0132 |
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O23 .536 .105 .1584 .0132 |
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O24 .884 .761 .1582 .0132 |
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O25 .361 .780 .1554 .0132 |
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O26 .084 .639 .1538 .0132 |
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O27 .414 .299 .1552 .0132 |
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O28 .020 .115 .1570 .0132 |
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O29 .225 .448 .1589 .0132 |
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O30 .572 .776 .1121 .0132 |
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O31 .205 .093 .1161 .0132 |
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O32 -.120 .444 .1141 .0132 |
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O33 -.114 .111 .0876 .0132 |
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O34 .693 .922 .0412 .0132 |
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O35 .015 .781 .0905 .0132 |
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O36 .863 .895 .0956 .0132 |
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O37 .749 .633 .0977 .0132 |
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O38 .012 .224 .2873 .0132 |
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O39 .886 .745 .2920 .0132 |
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O40 .070 .969 .3360 .0132 |
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O41 .431 .654 .3387 .0132 |
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O42 .213 .254 .3373 .0132 |
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O43 .346 .110 .3350 .0132 |
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O44 .031 .435 .3358 .0132 |
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O45 .890 .566 .3375 .0132 |
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O46 .567 .927 .3379 .0132 |
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O47 .523 .111 .2895 .0132 |
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O48 .704 .786 .3363 .0132 |
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O49 .748 .289 .3363 .0132 |
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O50 .679 .436 .1554 .0132 |
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O51 .672 .247 .2198 .0132 |
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O52 .235 .323 .2201 .0132 |
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O53 .558 .440 .2217 .0132 |
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O54 .550 .570 .1556 .0132 |
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O55 .885 .249 .1570 .0132 |
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O56 .756 .980 .1529 .0132 |
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O57 .224 .774 .0872 .0132 |
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O58 .676 .428 .2869 .0132 |
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O59 .221 .913 .2855 .0132 |
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O60 .416 .313 .2851 .0132 |
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O61 .225 .909 .1572 .0132 |
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O62 -.127 .964 .2839 .0132 |
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O63 .760 .113 .2834 .0132 |
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O64 .591 .814 .2655 .0132 |
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O65 .886 .409 .2638 .0132 |
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O66 .755 .761 .2235 .0132 |
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O67 .408 .109 .2226 .0132 |
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O68 .189 .112 .2656 .0132 |
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O69 .358 .779 .2852 .0132 |
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O70 .572 .583 .2880 .0132 |
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O71 .882 .622 .2219 .0132 |
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O72 .094 .636 .2879 .0132 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Allanpringite |
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Kolitsch U, Bernhardt H J, Lengauer C L, Blass G, Tillmanns E |
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European Journal of Mineralogy 18 (2006) 793-801 |
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Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, |
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and its close relation to wavellite |
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Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany |
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_database_code_amcsd 0007186 |
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9.777 7.358 17.830 90 92.19 90 P2_1/n |
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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 .27493 .6185 .24870 .92 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
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Al1 .27493 .6185 .24870 .08 .0171 .0184 .0090 .0238 -.0001 -.0013 .0015 |
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Fe2 .74539 .6422 .48712 .91 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
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Al2 .74539 .6422 .48712 .09 .0158 .0162 .0080 .0231 .0001 -.0003 .0006 |
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Fe3 .75612 .1425 .48182 .92 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
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Al3 .75612 .1425 .48182 .08 .0173 .0176 .0077 .0265 -.0009 .0015 -.0006 |
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P1 .4372 .6104 .41119 .0177 .0173 .0138 .0220 .0003 .0001 -.0006 |
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P2 .0548 .0969 .40389 .0186 .0198 .0127 .0232 .0014 .0012 .0026 |
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O1 .5892 .5640 .4167 .0214 |
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O2 .3540 .4376 .4233 .0175 |
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O3 .4036 .7604 .4680 .0235 |
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O4 .4020 .6856 .3314 .028 |
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O5 .0958 .2626 .4496 .0232 |
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O6 .0789 .1253 .3213 .035 |
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O7 .1326 -.0757 .4270 .0195 |
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O8 .9017 .0651 .4120 .0187 |
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OH9 .2100 .8627 .2254 .030 |
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Wat10 .1230 .5470 .1677 .036 |
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Wat11 .1124 .6196 .3313 .046 |
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OH12 .8304 .3953 .4809 .0221 |
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OH13 .6734 .8950 .4823 .0257 |
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Wat14 .8481 .7077 .3886 .0260 |
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Wat15 .6400 .2078 .3796 .028 |
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Wat16a .811 .238 .2513 .5 .050 |
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Wat16b .775 .114 .2496 .5 .059 |
|
|
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Sursassite |
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Hatert F, Fransolet A M, Wouters J, Bernhardt H J |
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European Journal of Mineralogy 20 (2008) 993-998 |
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The crystal structure of sursassite from the Lienne Valley, |
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Stavelot Massif, Belgium |
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Locality: Lienne syncline, Stravelot Massif, Belgium |
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_database_code_amcsd 0007270 |
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8.697 5.787 9.769 90 108.91 90 P2_1/m |
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atom x y z occ Uiso |
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MnMn1 .1675 .25 .3137 .79 .0147 |
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CaMn1 .1675 .25 .3137 .21 .0147 |
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Mn2 .2675 .25 .6750 .0187 |
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AlAl1 .5 0 .5 .89 .0116 |
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MnAl1 .5 0 .5 .11 .0116 |
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Al2 .5 0 0 .0098 |
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Al3 0 .5 0 .0084 |
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Si1 .3074 .75 .1925 .0088 |
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Si2 .2067 .75 .8076 .0091 |
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Si3 .1557 .75 .4937 .0114 |
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O1 .2646 .5134 .5019 .0145 |
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O2 .1912 .5237 .1643 .0106 |
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O3 .3139 .5168 .8333 .0128 |
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O4 .4149 .75 .0821 .0092 |
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O5 .4491 .75 .3538 .0117 |
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O6 .0843 .25 .9292 .5 .0113 |
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OH6 .0843 .25 .9292 .5 .0113 |
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O7 .4385 .25 .3672 .5 .0125 |
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OH7 .4385 .25 .3672 .5 .0125 |
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O8 .0712 .75 .8939 .0102 |
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O9 .0919 .75 .6372 .0104 |
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OH10 -.0085 .75 .3568 .0170 |
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OH11 .4108 .25 .0742 .0121 |
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| Download AMC data (View Text File)
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Burbankite |
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Onac B P, Bernhardt H J, Effenberger H |
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European Journal of Mineralogy 21 (2009) 507-514 |
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Authigenic burbankite in the Cioclovina Cave sediments (Romania) |
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Locality: Cioclovina Cave sediments, Romania |
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_database_code_amcsd 0007286 |
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10.514 10.514 6.477 90 90 120 P6_3mc |
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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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NaA .52343 -.52343 .3128 .82 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
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CaA .52343 -.52343 .3128 .17 .0222 .0190 .0190 .0273 .0085 .0002 -.0002 |
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SrB .84125 -.84125 0 .57 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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CaB .84125 -.84125 0 .16 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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BaB .84125 -.84125 0 .11 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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YB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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CeB .84125 -.84125 0 .05 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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LaB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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NdB .84125 -.84125 0 .02 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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PrB .84125 -.84125 0 .01 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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ThB .84125 -.84125 0 .03 .01472 .01338 .01338 .01632 .00589 .00071 -.00071 |
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C1 .7999 -.7999 .5372 .0151 .0144 .0144 .017 .0071 .0015 -.0015 |
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C2 0 0 .8313 .0172 .017 .017 .017 .0085 0 0 |
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C3 1/3 2/3 .490 .0177 .019 .019 .014 .0097 0 0 |
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O1 .3749 .0815 .6308 .0240 .0224 .0179 .0312 .0096 -.0024 .0047 |
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O2 .9304 -.9304 .3353 .0316 .0250 .0250 .053 .019 .0006 -.0006 |
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O3 .40439 -.40439 .4864 .0242 .0296 .0296 .0214 .0208 .0006 -.0006 |
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O4 .7756 -.7756 .3533 .0245 .0240 .0240 .0251 .0117 -.0019 .0019 |
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|
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Olenite |
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Ertl A, Pertlik F, Bernhardt H J |
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Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3-10 |
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Investigations on olenite with exess boron from Koralpe, Styria, Austria |
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Locality: Koralpe, Styria, Austria |
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_database_code_amcsd 0018673 |
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15.7395 15.7395 7.0656 90 90 120 R3m |
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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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NaX 0 0 .7863 .42 .0240 .0240 .0205 0 0 .0120 |
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CaX 0 0 .7863 .30 .0240 .0240 .0205 0 0 .0120 |
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AlY .72742 .45484 .69377 .798 .0090 .0098 .0127 .0020 .0010 .0049 |
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LiY .72742 .45484 .69377 .202 .0090 .0098 .0127 .0020 .0010 .0049 |
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AlZ .70336 .73949 .39367 .978 .0100 .0112 .0087 .0006 -.0008 .0054 |
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LiZ .70336 .73949 .39367 .022 .0100 .0112 .0087 .0006 -.0008 .0054 |
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SiT .80884 .81074 .00000 .873 .0096 .0089 .0086 -.0007 .0001 .0037 |
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BT .80884 .81074 .00000 .127 .0096 .0089 .0086 -.0007 .0001 .0037 |
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B .89097 .78193 .54964 .0097 .0094 .0103 .0047 .0003 .0006 |
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O1 0 0 .2293 .0172 .0172 .0147 .0086 0 0 |
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O2 .94018 .88036 .50990 .0183 .0092 .0165 .0046 .00065 .0013 |
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O3 .79598 .59197 .82810 .95 .0133 .0233 .0099 .01165 .00055 .0011 |
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F3 .79598 .59197 .82810 .05 .0133 .0233 .0099 .01165 .00055 .0011 |
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O4 .90602 .81204 .92518 .0151 .0197 .0136 .01985 .00115 -.0023 |
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O5 .42632 .85264 .57106 .0157 .0227 .0128 .01135 .00025 -.0005 |
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O6 .80684 .81726 .22691 .0107 .0111 .0101 .0043 .0004 -.0002 |
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O7 .71337 .71409 .92579 .0110 .0110 .0106 .0042 .0012 -.0008 |
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O8 .79067 .73015 .56501 .0090 .0126 .0116 .0053 .0010 .0032 |
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H3 .794 .589 .956 .95 .0517 |
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|
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Adelite |
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Effenberger H, Krause W, Bernhardt H J |
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Experimental Mineralogy, Petrology and Geochemistry Abstract Volume 9 (2002) 30-30 |
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Structural investigations of adelite and cobaltaustinite, two members of the |
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adelite-descloizite group |
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Locality: Langban, Sweden |
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_database_code_amcsd 0012643 |
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7.468 8.953 5.941 90 90 90 P2_12_12_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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Ca .63323 .66993 .47737 .00937 .01038 .00669 .01104 -.00049 .00086 -.00012 |
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Mg .24093 .50504 .24576 .00610 .0074 .0065 .0045 .0006 .0005 -.0007 |
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As .61594 .31858 .51671 .9312 .00533 .00567 .00523 .00509 .00064 -.00002 -.00013 |
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P .61594 .31858 .51671 .0688 .00533 .00567 .00523 .00509 .00064 -.00002 -.00013 |
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O1 .43758 .43594 .4901 .0096 .0090 .0104 .0094 .0034 -.0002 .0005 |
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O2 .78376 .43523 .5872 .0135 .0113 .0131 .0161 -.0032 -.0024 -.0001 |
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O3 .35447 .72683 .2293 .0105 .0130 .0105 .0081 -.0018 -.0001 .0009 |
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O4 .39884 .70196 .7603 .0112 .0146 .0103 .0087 -.0032 .0013 -.0023 |
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O5 .10657 .57687 .5059 .0096 .0086 .0109 .0092 -.0004 .0014 .0003 |
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H .009 .529 .513 .032 |
|
|
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|
| |
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Rappoldite |
| |
Effenberger H, Krause W, Bernhardt H J, Martin M |
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Mineralogical Magazine 64 (2000) 1109-1126 |
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On the symmetry of tsumcorite group minerals based on the new species |
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rappoldite and zincgartrellite |
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Locality: Rappold mine, near Schneeberg, Saxony, Germany |
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_database_code_amcsd 0014555 |
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5.595 5.572 7.593 70.19 70.41 69.23 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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PbMe1 0 0 0 .0340 .0426 .0300 .0257 -.0031 -.0084 -.0099 |
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CoMe2a 0 .5 .5 .5 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
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NiMe2a 0 .5 .5 .32 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
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ZnMe2a 0 .5 .5 .18 .0210 .0243 .0169 .0245 .0000 -.0089 -.0112 |
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CoMe2b .5 0 .5 .5 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
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NiMe2b .5 0 .5 .32 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
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ZnMe2b .5 0 .5 .18 .0201 .0210 .0163 .0250 .0004 -.0086 -.0103 |
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As .4241 .4220 .7751 .0203 .0252 .0184 .023 -.0050 -.0087 -.0100 |
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Wat1 .1575 .1556 .4045 .033 .022 .024 .065 .004 -.027 -.018 |
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O2 .3119 .3126 .6446 .023 .024 .018 .035 -.004 -.014 -.012 |
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O3a .2472 .6843 .2611 .030 .027 .031 .040 -.015 -.019 .000 |
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O3b .6820 .2456 .2608 .027 .031 .016 .039 -.009 .003 -.021 |
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O4 .2838 .2803 .0056 .054 .071 .079 .021 -.040 -.002 -.010 |
|
|
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|
| |
|
Zincgartrellite |
|
Effenberger H, Krause W, Bernhardt H J, Martin M |
|
Mineralogical Magazine 64 (2000) 1109-1126 |
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On the symmetry of tsumcorite group minerals |
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based on the new species rappoldite and zincgartrellite |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0014556 |
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5.550 5.620 7.621 68.59 69.17 69.51 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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Pb1 0 0 0 .0479 .061 .045 .033 -.014 -.020 .003 |
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Zn2a 0 .5 .5 .6 .040 .033 .044 .029 -.009 -.009 .006 |
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Fe3+2a 0 .5 .5 .4 .040 .033 .044 .029 -.009 -.009 .006 |
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Zn2b .5 0 .5 .6 .034 .047 .026 .026 -.016 -.016 .008 |
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Cu2b .5 0 .5 .4 .034 .047 .026 .026 -.016 -.016 .008 |
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As .4125 .4266 .7853 .032 .037 .034 .023 -.010 -.015 .005 |
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O2 .306 .321 .648 .052 |
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O3a .255 .679 .258 .044 |
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O3b .691 .238 .251 .049 |
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O4 .273 .289 .020 .037 |
|
OH1 .163 .166 .420 .2 .034 |
|
Wat1 .163 .166 .420 .8 .034 |
|
|
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|
| |
|
Kapellasite |
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Krause W, Bernhardt H J, Braithwaite R S W, Kolitsch U, Pritchard R |
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Mineralogical Magazine 70 (2006) 329-340 |
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Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its |
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crystal structure |
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Locality: Lavrion, Greece |
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_database_code_amcsd 0014577 |
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6.300 6.300 5.733 90 90 120 P-3m1 |
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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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Cu .5 0 .5 .0165 .0130 .0153 .0221 .0076 .00060 .0012 |
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Zn 0 0 .5 .0176 .0134 .0134 .0259 .0067 0 0 |
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Cl1 1/3 2/3 .1373 .0251 .0276 .0276 .0200 .0138 0 0 |
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Cl2 .3544 .1772 .3454 .03 .0161 .0179 .0155 .0158 .0090 -.0012 .0006 |
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OH2 .3544 .1772 .3454 .97 .0161 .0179 .0155 .0158 .0090 -.0012 .0006 |
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Brendelite |
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Krause W, Bernhardt H J, McCammon C, Effenberger H |
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Mineralogy and Petrology 63 (1998) 263-277 |
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Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from |
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Schneeberg, Germany: description and crystal structure |
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Locality: Schneeberg, Germany |
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_database_code_amcsd 0014642 |
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12.278 3.815 6.899 90 111.14 90 C2/m |
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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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Bi .76119 0 .22804 .5 .0255 .0231 .0216 .0326 0 .0111 0 |
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Pb .76119 0 .22804 .5 .0255 .0231 .0216 .0326 0 .0111 0 |
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Fe 0 0 0 .0171 .0152 .0143 .0221 0 .0072 0 |
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P .5285 0 .3942 .5 .020 .017 .025 .014 0 .002 0 |
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Oo .1699 0 .0197 .024 .025 .018 .033 0 .017 0 |
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OH .5255 0 .1044 .5 .017 .026 .014 .009 0 .003 0 |
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Op1 .3993 0 .3567 .023 .011 .032 .023 0 .003 0 |
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Op2 .5638 .332 .3020 .5 .026 .028 .027 .028 .003 .016 .007 |
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Abswurmbachite |
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Reinecke T, Tillmanns E, Bernhardt H J |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 163 (1991) 117-143 |
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Abswurmbachite, CuMn6[O8/SiO4], a new mineral of the braunite |
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group: natural occurrence, synthesis, and crystal structure |
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_database_code_amcsd 0014719 |
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9.406 9.406 18.546 90 90 90 *I4_1/acd |
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0 -.25 .125 |
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atom x y z occ Biso |
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Mn1 0 .25 .125 .84 1.31 |
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Cu1 0 .25 .125 .16 1.31 |
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Mn2 0 0 0 .94 .51 |
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Cu2 0 0 0 .06 .51 |
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Mn3 .25 .21001 0 .92 .48 |
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Cu3 .25 .21001 0 .08 .48 |
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Mn4 .22789 .0221 .625 .94 .50 |
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Cu4 .22789 .0221 .625 .06 .50 |
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Si 0 .25 .375 .40 |
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O1 .1436 .8470 .9440 .92 |
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O2 .1481 .0665 .0566 .68 |
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O3 .0763 .1324 .9253 .68 |
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Crerarite |
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Cook N J, Wood S A, Gebert W, Bernhardt H J, Medenbach O |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1994 (1994) 567-575 |
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Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen, |
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Abitibi-Temiscaminque, Quebec, Canada |
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Locality: Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada |
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_database_code_amcsd 0018370 |
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5.86 5.865 5.86 90 90 90 Fm3m |
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atom x y z occ Uiso |
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Bi 0 0 0 .75 .05802 |
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Pt 0 0 0 .125 .05802 |
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Pb 0 0 0 .125 .05802 |
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S .5 .5 .5 .796 .02303 |
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Se .5 .5 .5 .026 .02303 |
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Hechtsbergite |
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Krause W, Bernhardt H J, Blass G, Effenberger H, Graf H W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 271-287 |
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Hechtsbergite, Bi2O(OH)(VO4), a new mineral from the Black Forest, Germany |
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Locality: Hechtsberg quarry, Hausach, Black Forest, Germany |
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_database_code_amcsd 0014896 |
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6.971 7.535 10.881 90 107.00 90 P2_1/c |
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atom x y z occ Biso |
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Bi1 .2513 .4139 .4769 1.7 |
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Bi2 .3899 .8375 .6563 .8 |
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V .113 .570 .832 .97 1.0 |
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As .113 .570 .832 .03 1.0 |
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O1 .494 .603 .586 1.0 |
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OH2 .329 .237 .668 1.0 |
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O3 .167 .619 .691 1.0 |
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O4 .123 .720 .928 1.0 |
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O5 .327 .419 .911 1.0 |
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O6 -.129 .490 .768 1.0 |
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Cobaltlotharmeyerite |
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Krause W, Effenberger H, Bernhardt H J, Martin M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 505-517 |
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Cobaltlotharmeyerite, Ca(Co,Fe,Ni)2(AsO4)2(OH,H2O)2, a new mineral from |
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Schneeberg, Germany |
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Locality: Schneeberg, Saxony, Germany |
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_database_code_amcsd 0014902 |
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9.027 6.239 7.433 90 115.19 90 C2/m |
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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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CaMe1 0 0 0 .0173 .0246 .0143 .0150 0 .0104 0 |
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CoMe2 .25 .25 .5 .485 .0173 .0111 .0095 .0109 -.0002 .0030 -.0003 |
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FeMe2 .25 .25 .5 .335 .0111 .0111 .0095 .0109 -.0002 .0030 -.0003 |
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NiMe2 .25 .25 .5 .18 .0111 .0111 .0095 .0109 -.0002 .0030 -.0003 |
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As .91839 .5 .21166 .0113 .0105 .0108 .0124 0 .0048 0 |
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O2 .3213 0 .3651 .0158 .019 .014 .018 0 .012 0 |
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O3 .0342 .2782 .2449 .0143 .015 .011 .016 .001 .005 -.0015 |
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O4 .2385 .5 .0136 .0258 .015 .043 .011 0 -.001 0 |
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Oh1 .3440 .5 .4097 .0164 .016 .019 .013 0 .006 0 |
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H2 .331 .5 .332 .02 |
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Cobalttsumcorite |
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Krause W, Bernhardt H J, Effenberger H, Martin M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576 |
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Cobalttsumcorite and nickellotharmeyerite, two new minerals from |
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Schneeberg, Germany: description and crystal structure |
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Locality: Schneeberg, Germany |
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_database_code_amcsd 0014915 |
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9.107 6.316 7.571 90 115.02 90 C2/m |
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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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Pb1 0 0 0 .0218 .0211 .0217 .0175 0 .0034 0 |
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Co2 .25 .25 .5 .395 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
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Fe2 .25 .25 .5 .365 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
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Ni2 .25 .25 .5 .20 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
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Zn2 .25 .25 .5 .02 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
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Al2 .25 .25 .5 .02 .0100 .0088 .0095 .0105 -.0002 .003 .0003 |
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As .91849 .5 .21755 .0093 .0077 .0106 .0100 0 .0041 0 |
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O2 .3096 0 .3549 .0130 .010 .018 .013 0 .007 0 |
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O3 .0351 .2795 .2656 .0124 .009 .009 .017 -.002 .004 .002 |
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O4 .2219 .5 .0139 .0237 .013 .041 .013 0 .000 0 |
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OH1 .3425 .5 .4076 .35 .0136 .009 .016 .018 0 .007 0 |
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Wat1 .3425 .5 .4076 .75 .0136 .009 .016 .018 0 .007 0 |
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Nickellotharmeyerite |
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Krause W, Bernhardt H J, Effenberger H, Martin M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 588-576 |
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Cobalttsumcorite and nickellotharmeyerite, two new minerals from |
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Schneeberg, Germany: description and crystal structure |
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Locality: Schneeberg, Germany |
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_database_code_amcsd 0014916 |
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9.040 6.229 7.397 90 115.32 90 C2/m |
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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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Ca1 0 0 0 .969 .0226 .0256 .0197 .0251 0 .0132 0 |
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Bi1 0 0 0 .031 .0226 .0256 .0197 .0251 0 .0132 0 |
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Ni2 .25 .25 .5 .55 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
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Fe2 .25 .25 .5 .35 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
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Co2 .25 .25 .5 .10 .0152 .0138 .0131 .0178 -.0001 .0057 -.0003 |
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As2 .91699 .5 .20906 .0147 .0122 .0146 .0175 0 .0065 0 |
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O2 .3194 0 .3662 .0188 .021 .014 .027 0 .016 0 |
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O3 .0354 .2785 .2469 .0174 .015 .017 .018 .0012 .0051 -.0011 |
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O4 .2421 .5 .0181 .0256 .016 .035 .020 0 .003 0 |
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OH1 .3436 .5 .4073 .5 .0174 .014 .016 .024 0 .010 0 |
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Wat1 .3436 .5 .4073 .5 .0174 .014 .016 .024 0 .010 0 |
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Na-komarovite |
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Balic-Zunic T, Petersen O V, Bernhardt H J, Micheelsen H I |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 497-514 |
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The crystal structure and mineralogical description of a Na-dominant |
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komarovite from the Ilimaussaq alkaline complex, South Greenland |
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Locality: Ilimaussaq, South Greenland |
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_database_code_amcsd 0014922 |
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7.310 24.588 7.402 90 90 90 Cmmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K3 0 0 .186 .09 .028 .086 .031 0 0 0 |
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Na3 0 0 .186 .41 .028 .086 .031 0 0 0 |
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Na1 .25 .25 .5 .105 .0127 .0163 .0198 .0018 0 0 |
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Na2 .5 .1509 .2384 .036 .026 .021 0 0 .004 |
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Ca1 .25 .25 .5 .895 .0127 .0163 .0198 .0018 0 0 |
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Ti1 .25 .25 0 .218 .0104 .0116 .0109 -.0017 0 0 |
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Nb1 .25 .25 0 .782 .0104 .0116 .0109 -.0017 0 0 |
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Nb2 0 .14545 .24854 .853 .0075 .0142 .0244 0 0 .0117 |
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Ti2 0 .14545 .24854 .147 .0075 .0142 .0244 0 0 .0117 |
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Si .2807 .06468 .5 .0054 .0067 .0089 .0002 0 0 |
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O1 0 .2776 0 .008 .008 .014 0 0 0 |
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O2 0 .1150 0 .016 .009 .012 0 0 0 |
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O3 0 .1736 .5 .012 .014 .008 0 0 0 |
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O4 .1890 .1967 .1917 .008 .013 .012 -.0012 .0013 .0016 |
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O5 .1945 .0902 .3187 .017 .016 .009 .006 -.0012 .0006 |
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O6 .5 .0764 .5 .005 .026 .030 0 0 0 |
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O7 .2432 0 .5 .028 .007 .025 0 0 0 |
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F 0 .3013 .5 .013 .018 .018 0 0 0 |
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Wat1 .5 .0873 0 .055 .036 .049 0 0 0 |
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Wat2 .216 0 .066 .5 .048 .042 .027 0 .003 0 |
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