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Trimerite |
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Klaska K H, Jarchow O |
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Zeitschrift fur Kristallographie 145 (1977) 46-65 |
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Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3 |
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und das trimeritgesetz der verzwillingung |
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Locality: Langban, Varmland, Sweden |
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_database_code_amcsd 0010789 |
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8.098 7.613 14.065 90 90.0 90 P2_1/n |
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atom x y z B B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .7504 .0018 .2492 .61 .00273 .00145 .00096 .0001 .00006 -.00003 |
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Mnl .2384 .0383 .0726 .64 .00275 .00201 .00084 .00015 .00017 -.00001 |
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Mn2 .2592 .4633 .0899 .55 .00301 .00172 .00057 .0002 -.00013 -.00005 |
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Bel .0805 .1626 .2360 .62 .0023 .0038 .00064 .0001 -.0000 -.0002 |
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Be2 .8974 .6615 .0790 .50 .0022 .0032 .00043 -.0003 .0000 -.0001 |
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Be3 .5633 .1635 .0917 .63 .0020 .0033 .00076 -.0003 .0001 .0000 |
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Sil .0803 .7718 .2335 .40 .00121 .00261 .00040 -.00002 .00005 -.00004 |
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Si2 .8901 .2728 .0767 .39 .00114 .00273 .00038 -.00003 .00007 .00001 |
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Si3 .5600 .7704 .0931 .40 .00119 .00266 .00041 .00000 .00010 .00001 |
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O1 .5766 .2586 .1939 .54 .0018 .0035 .00055 -.0001 .00009 -.00012 |
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O2 .9212 .2607 .1909 .56 .0022 .0036 .00045 .0001 .0000 .00005 |
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O3 .7475 .7585 .1354 .57 .0018 .0032 .00070 .0000 -.0003 -.00010 |
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O4 .2522 .2531 .2030 .64 .0019 .0038 .00075 -.0001 -.00005 .00013 |
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O5 .0651 .2382 .0222 .60 .0022 .0033 .00066 .0003 .00016 .00018 |
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O6 .4303 .2616 .0216 .63 .0026 .0033 .00040 .0002 .0000 -.00000 |
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O7 .0592 .6312 .1476 .79 .0029 .0037 .00099 .0002 -.00017 -.00021 |
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O8 .7477 .1342 .0451 .82 .0028 .0037 .00101 -.0002 .00012 -.00022 |
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O9 .4423 .6322 .1493 .80 .0036 .0036 .00079 -.0004 .00019 .00000 |
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O10 .0776 .9678 .1846 .85 .0044 .0022 .00087 -.0000 .00017 -.00000 |
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O11 .8214 .4697 .0513 .79 .0033 .0026 .00108 .0000 -.00010 .00007 |
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O12 .4866 .9677 .1137 .78 .0032 .0028 .00110 .0002 .00005 -.00004 |
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Al5.03Ge.97Pb.15Nd.06O9.71 |
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Saalfeld H, Klaska K H |
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Zeitschrift fur Kristallographie 172 (1985) 129-133 |
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A Pb/Nd-stabilized mullite of the |
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composition Al5.03Ge0.97Pb0.15Nd0.06O9.71 |
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_database_code_amcsd 0010935 |
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7.6648 7.7914 2.9213 90 90 90 P2_12_12 |
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atom x y z occ |
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Al1 0 0 .0052 |
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Al2 .3500 .1618 .5012 .55 |
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Al* .2315 .2987 .4866 .2 |
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Ge .3500 .1618 .5012 .243 |
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Pb1 .1182 .3666 .4810 .0276 |
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Nd1 .1182 .3666 .4810 .0088 |
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Pb2 .4543 .0621 .4934 .0138 |
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Nd2 .4543 .0621 .4934 .0055 |
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O1 .3717 .2878 -.0090 |
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O2 .3621 .5788 .4913 |
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O3 .5 0 .4339 .4614 |
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O* .0472 .4429 .5373 .1968 |
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Christelite |
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Adiwidjaja G, Friese K, Klaska K H, Schluter J |
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Zeitschrift fur Kristallographie 211 (1996) 518-521 |
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The crystal structure of christelite Zn3Cu2(SO4)2(OH)6*4(H2O) |
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Locality: San Francisco mine, Sierra Gorda, northeast of Antofagasta, Chile |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0011065 |
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5.4143 6.336 10.470 94.32 90.06 90.27 P-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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Zn1 0 0 0 .0145 .0140 .0120 .010 -.0010 .0010 .0010 |
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Zn2 .51228 .24973 .49511 .0127 .0090 .0080 .0210 -.0010 .0000 .0020 |
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Cu1 0 0 .5 .0110 .0110 .0110 .0190 .0000 .0010 .0020 |
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Cu2 0 .5 .5 .0116 .0100 .0120 .0210 -.0010 .0000 .0020 |
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S .7771 .7040 .22146 .0126 .0150 .0140 .0110 -.0010 .0010 .0020 |
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O1 .7947 .7289 .3637 .0141 .0150 .0160 .0120 -.0010 .0000 .0020 |
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O2 .5206 .6551 .1854 .0275 .0180 .0480 .0180 -.0060 -.0050 .0080 |
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O3 .9370 .5294 .1729 .0246 .0280 .0210 .025 .0050 .0040 -.0060 |
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O4 .8590 .9034 .1722 .0269 .0460 .019 .0180 -.0050 .0120 .0070 |
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O5 .6807 .0026 .5889 .0114 .0110 .0120 .0120 -.0010 .0000 .0000 |
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O6 .6829 .5153 .5872 .0125 .0110 .0110 .0160 .0000 -.0020 .0030 |
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O7 .1381 .7641 .5888 .0127 .0120 .0120 .0140 -.0010 .0000 .0010 |
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O8 .7246 .2267 .0160 .0172 .0200 .0180 .0140 .0010 -.0020 .0000 |
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O9 .2469 .1890 .1179 .0242 .022 .0240 .026 -.0050 .0010 -.0070 |
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H1 .242 .690 -.056 .05 |
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H2 .344 .731 .052 .05 |
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H3 .217 .312 .146 .05 |
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H4 .410 .195 .098 .05 |
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H5 .123 .772 .666 .05 |
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H6 .687 .006 .677 .05 |
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H7 .697 .517 .680 .05 |
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Gordaite |
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Adiwidjaja G, Friese K, Klaska K H, Schluter J |
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Zeitschrift fur Kristallographie 212 (1997) 704-707 |
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The crystal structure of gordaite NaZn4(SO4)(OH)6Cl*6H2O |
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Locality: San Francisco mine, Sierra Gorda, Chile |
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_database_code_amcsd 0011072 |
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8.3556 8.3556 13.025 90 90 120 P-3 |
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atom x y z Uiso |
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Zn1 0 0 .8614 .0236 |
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Zn2 .5851 .8715 .99640 .0238 |
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Na 2/3 1/3 .4129 .0358 |
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S 1/3 2/3 .2237 .0243 |
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Cl 0 0 .3136 .0354 |
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O1 .0588 .2465 .0931 .0231 |
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O2 .4788 .3721 .0709 .0222 |
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O3 .4391 .3159 .2915 .0417 |
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O4 .3947 .2231 .5231 .0440 |
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O5 .1754 .4934 .2607 .0329 |
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O6 1/3 2/3 .1095 .0263 |
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H1 .313 .221 .861 .05 |
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H2 .633 .113 .153 .05 |
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H3 .317 .229 .293 .05 |
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H4 .529 .002 .271 .05 |
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H5 .172 .412 .418 .05 |
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H6 .062 .345 .496 .05 |
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Kastningite |
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Adiwidjaja G, Friese K, Klaska K H, Schluter J |
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Zeitschrift fur Kristallographie 214 (1999) 465-468 |
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The crystal structure of kastningite (Mn,Fe,Mg)(H2O)4[Al2(OH)2(H2O)2(PO4)2]*2H2O - |
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a new hydroxyl aquated orthophosphate hydrate mineral |
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Locality: Waidhaus, Bavaria, Germany |
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Note: changed sign of Oh1(y) |
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_database_code_amcsd 0011083 |
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10.205 10.504 7.010 90.38 110.10 71.82 P-1 |
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atom x y z Uiso |
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Mn .27053 .48833 .6504 .0270 |
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Al1 0 0 0 .0171 |
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Al2 .5 0 0 .0196 |
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Al3 .2511 .9947 .5099 .0157 |
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P1 .9082 .1807 .3411 .0181 |
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P2 .4595 .1719 .5967 .0186 |
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O1 .8731 .3322 .2976 .0236 |
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O2 .0656 .1192 .4956 .0211 |
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O3 .8015 .1570 .4354 .0233 |
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O4 .8893 .1168 .1389 .0224 |
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O5 .4311 .3226 .6066 .0280 |
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O6 .5376 .0956 .8107 .0245 |
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O7 .3132 .1475 .4870 .0228 |
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O8 .5602 .1263 .4723 .0225 |
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Oh1 .1747 .0107 .2217 .0217 |
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Oh2 .3257 -.0018 .7986 .0225 |
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Ow1 .0190 .1519 .8693 .0259 |
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Ow2 .3894 .1674 .0789 .0292 |
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Ow3 .6335 .5574 .0265 .0379 |
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Ow4 .8567 .6392 .3364 .0372 |
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Ow5 .8531 .4561 .6770 .0344 |
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Ow6 .5888 .3909 .3585 .0332 |
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Ow7 .0977 .3241 .1494 .0320 |
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Ow8 .7045 .3413 .8388 .0355 |
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H1 .771 .012 .83 .05 |
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H2 .023 .146 .76 .05 |
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H3 .049 .200 .93 .05 |
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H4 .286 -.035 .85 .05 |
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H5 .43 .172 .18 .05 |
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H6 .353 .252 .01 .05 |
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H7 .670 .469 .95 .05 |
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H8 .559 .602 .97 .05 |
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H9 .855 .708 .41 .05 |
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H10 .932 .614 .30 .05 |
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H11 .877 .519 .78 .05 |
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H12 .823 .415 .78 .05 |
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H13 .655 .304 .40 .05 |
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H14 .547 .373 .46 .05 |
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H15 .017 .343 .21 .05 |
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H16 .168 .264 .23 .05 |
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H17 .64 .323 .78 .05 |
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H18 .753 .270 .92 .05 |
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|
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Wilhelmkleinite |
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Adiwidjaja G, Friese K, Klaska K H, Moore P B, Schluter J |
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Zeitschrift fur Kristallographie 215 (2000) 96-101 |
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The crystal structure of the new mineral wilhelmkleinite ZnFe3+2(OH)2(AsO4)2 |
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Locality: Tsumeb mine, Namibia |
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_database_code_amcsd 0011085 |
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6.631 7.611 7.377 90 91.80 90 P2_1/n |
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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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Zn 0 0 .5 .01115 .01083 .01456 .00814 .00197 .00176 -.00273 |
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Fe .22856 .36444 .26271 .00717 .00689 .00766 .00703 -.00046 .00116 -.00041 |
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As .24265 .623976 .633213 .00579 .00557 .00680 .00501 .00030 .00030 .00039 |
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O1 .2220 .44359 .50673 .0123 .0186 .0096 .0088 -.0002 .0006 -.0033 |
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O2 .06002 .63490 .78564 .0097 .0066 .0151 .0077 -.0002 .0020 -.0006 |
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O3 .46181 .61580 .75421 .0104 .0053 .0176 .0081 -.0001 -.0013 .0033 |
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O4 .23482 .80790 .50638 .0097 .0124 .0085 .0082 .0020 .0014 .0032 |
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O5 .24552 .11675 .35613 .0087 .0102 .0079 .0080 -.0009 -.0008 .0000 |
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H .336 .118 .422 .050 |
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Biehlite |
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Adiwidjaja G, Friese K, Klaska K H, Schluter J, Czank M |
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Zeitschrift fur Kristallographie 215 (2000) 529-535 |
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Crystal structure and crystal chemistry of biehlite, Sb1.79As0.21MoO6 |
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Locality: Tsumeb mine Namibia |
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_database_code_amcsd 0011087 |
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18.0760 5.920 5.083 90 96.97 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb .16349 .20178 .69755 .895 .0233 .0198 .0293 .0203 -.0012 .0010 -.0015 |
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As .16349 .20178 .69755 .105 .0233 .0198 .0293 .0203 -.0012 .0010 -.0015 |
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Mo 0 .19289 .25 .0158 .0188 .0155 .0128 0 .0005 0 |
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O1 .1950 .0857 .3709 .0257 .028 .031 .019 -.011 .007 -.008 |
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O2 .0594 .0974 .5824 .0195 .020 .024 .013 -.007 -.003 -.002 |
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O3 .0656 .3670 .1473 .0246 .027 .024 .022 -.008 .000 .005 |
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|
| Download AMC data (View Text File)
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