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Kukharenkoite-(Ce) |
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Krivovichev S V, Filatov S K, Zaitsev A N |
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The Canadian Mineralogist 36 (1998) 809-815 |
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The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation |
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based on cation-coordinated F tetrahedra |
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_database_code_amcsd 0005546 |
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13.374 5.1011 6.653 90 106.56 90 P2_1/m |
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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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Ba1 .07490 .25 .2900 .0175 .0181 .0172 .0168 0 .0042 0 |
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Ba2 .41615 .25 .6888 .0170 .0206 .0142 .0152 0 .0034 0 |
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Ce .76096 .25 .9884 .0146 .0177 .0113 .0142 0 .0036 0 |
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F .9283 .25 .911 .027 .0320 .0240 .0230 0 .0040 0 |
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C1 .7259 .25 .509 .018 .0200 .0120 .0210 0 0 0 |
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C2 .4268 .25 .174 .019 .0240 .0120 .0220 0 .0090 0 |
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C3 .1273 .25 .794 .019 .0190 .0220 .0160 0 .0040 0 |
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O1 .1826 .25 .991 .025 .0370 .0200 .0130 0 .0010 0 |
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O2 .6996 .25 .310 .030 .0380 .0380 .0140 0 .0070 0 |
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O3 .4899 .25 .358 .024 .0320 .0210 .0170 0 .0030 0 |
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O4 .3993 .031 .077 .026 .0300 .0190 .0290 -.0030 .0090 -.0050 |
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O5 .2625 .965 .386 .026 .0320 .0140 .0270 0 0 .0030 |
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O6 .8969 .970 .300 .025 .0370 .0150 .0220 -.0050 .0040 -.0040 |
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Melanothallite |
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Krivovichev S V, Filatov S K, Burns P C |
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The Canadian Mineralogist 40 (2002) 1185-1190 |
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The cuprite-like framework of OCu4 tetrahedra in the crystal structure |
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of synthetic melanothallite, Cu2OCl2, and its negative thermal expansion |
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_database_code_amcsd 0005787 |
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7.4691 9.5969 9.700 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 0 1/2 .0140 .0179 .0130 .0110 -.0026 -.0008 -.0006 |
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Cl 1/8 1/8 .32431 .0213 .0289 .0220 .0131 -.0087 0 0 |
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O 1/8 1/8 5/8 .0127 .0167 .0119 .0094 0 0 0 |
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Burnsite |
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Burns P C, Krivovichev S V, Filatov S K |
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The Canadian Mineralogist 40 (2002) 1587-1595 |
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New Cu coordination polyhedra in the crystal structure of burnsite, |
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KCdCu7O2(SeO3)2Cl9 |
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_database_code_amcsd 0005796 |
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8.7805 8.7805 15.521 90 90 120 P6_3/mmc |
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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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K 0 0 1/4 .0609 .080 .080 .023 .0398 0 0 |
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Cd 0 0 0 .0205 .0212 .0212 .0192 .0106 0 0 |
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Cu(1) -.45264 -.54736 .09057 .0157 .0200 .0200 .0137 .0150 -.0013 .0013 |
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Cu(2) 2/3 1/3 1/4 .0134 .0169 .0169 .0063 .0085 0 0 |
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Se 1/3 2/3 .09730 .0131 .0147 .0147 .0099 .0073 0 0 |
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O(1) 2/3 1/3 .1267 .0112 .012 .012 .010 .0058 0 0 |
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O(2) -.5696 -.1392 .0447 .0210 .026 .011 .021 .0053 -.0005 -.001 |
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Cl(1) -.13697 -.2739 .10178 .0402 .0571 .0221 .0299 .0110 .0020 .0041 |
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Cl(2) -.4945 -.5055 1/4 .0352 .0433 .0433 .0370 .0350 0 0 |
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Cu2V2O7 |
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Krivovichev S V, Filatov S K, Cherepansky P N, Armbruster T, Pankratova O Y |
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The Canadian Mineralogist 43 (2005) 671-677 |
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The crystal structure of gamma-Cu2V2O7 and its comparison to blossite |
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(alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7) |
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_database_code_amcsd 0006001 |
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5.0873 5.8233 9.4020 99.780 97.253 97.202 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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Cu1 .26344 .15492 .51698 .0128 .0094 .0164 .0128 -.00025 -.0005 .00625 |
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Cu2 .28090 .14584 .00655 .0126 .0121 .0123 .0122 .00474 -.0014 -.00089 |
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V1 .16373 -.32508 .21877 .0095 .0095 .0095 .0092 .0015 .0006 .0013 |
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V2 .28516 -.26957 .69728 .0091 .0094 .0090 .0085 .0010 .0006 .0014 |
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O1 .0885 -.1078 .6023 .0118 .010 .012 .014 .0018 .0003 .0054 |
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O2 .4145 -.1774 .3498 .0141 .012 .014 .015 .0008 -.0028 .0028 |
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O3 .0486 -.1293 .1195 .0133 .012 .014 .014 .0029 -.0007 .0044 |
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O4 .3846 -.1248 .8774 .0123 .012 .013 .011 .0048 -.0016 -.0008 |
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O5 .1051 -.5550 .6891 .0145 .015 .013 .015 .0002 .0035 .0033 |
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O6 .5498 -.3136 .6176 .0123 .012 .012 .014 .0021 .0021 .0043 |
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O7 .2637 -.5429 .1096 .0195 .022 .018 .018 .0093 .0008 -.0019 |
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Allochalcoselite |
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Krivovichev S V, Filatov S K, Burns P C, Vergasova L P |
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The Canadian Mineralogist 44 (2006) 507-514 |
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The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, |
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a mineral with well-defined Cu+ and Cu2+ positions |
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Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006091 |
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18.468 6.1475 15.314 90 119.284 90 C2/m |
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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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Cu1 .98610 .2462 .74348 .0136 .0094 .0166 .0155 -.0019 .0067 -.0042 |
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Cu2 .93169 0 .5343 .0196 .0094 .0437 .0070 0 .0050 0 |
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Cu3 .93998 .5 .0455 .0153 .0084 .0296 .0075 0 .0035 0 |
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Cu4 .64740 0 .8306 .0197 .0145 .0284 .0222 0 .0137 0 |
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Cu5 .5 0 .5 .0291 .024 .032 .032 0 .015 0 |
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Cu6 0 0 0 .0427 .064 .038 .042 0 .038 0 |
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Pb .79657 0 .63877 .0152 .0089 .0217 .0134 0 .0042 0 |
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Se1 .12845 0 .70903 .0113 .0053 .0192 .0093 0 .0034 0 |
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Se2 .85671 .5 .79940 .0118 .0071 .0189 .0100 0 .0047 0 |
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O1 .8829 .7134 .7511 .016 .014 .023 .013 .000 .008 .001 |
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O2 .0946 .2154 .7468 .022 .016 .027 .028 -.004 .015 -.009 |
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O3 .9401 .5 .9184 .016 .012 .031 .003 0 .003 0 |
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O4 .9317 0 .6582 .011 .009 .015 .013 0 .008 0 |
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O5 .0401 .5 .8211 .012 .002 .024 .005 0 -.001 0 |
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O6 .0551 0 .5867 .026 .014 .056 .001 0 -.002 0 |
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Cl1 .6982 0 .0082 .0222 .008 .041 .012 0 .001 0 |
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Cl2 .5865 0 .4462 .0312 .028 .039 .024 0 .011 0 |
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Cl3 .7886 0 .4388 .0221 .013 .036 .019 0 .008 0 |
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Cl4 .7613 0 .8150 .0275 .017 .044 .026 0 .013 0 |
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Cl5 .0623 0 .9198 .0314 .040 .032 .016 0 .009 0 |
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Leningradite |
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Siidra O I, Krivovichev S V, Armbruster T, Filatov S K, Pekov I V |
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The Canadian Mineralogist 45 (2007) 445-449 |
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The crystal structure of leningradite, PbCu3(VO4)2Cl2 |
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Locality: Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
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Note: Changed signs of Cu2(y) and Cl(y) by personal communication with Krivovichev |
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_database_code_amcsd 0006144 |
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9.005 11.046 9.349 90 90 90 Ibam |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .5 0 .25 .0210 .0262 .0153 .0215 0 0 0 |
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Cu1 0 0 0 .0142 .0176 .0146 .0104 -.0050 0 0 |
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Cu2 .25095 -.32837 0 .0128 .0089 .0198 .0096 .0035 0 0 |
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V .5 .29546 .25 .0073 .0072 .0093 .0054 0 .0005 0 |
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O1 .0981 .1107 .1354 .0126 .0123 .013 .013 -.0034 -.0022 .0021 |
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O2 .3871 .2015 .1565 .0141 .017 .015 .011 -.0005 -.0032 -.0009 |
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Cl .3116 -.0834 0 .0210 .0208 .0183 .0238 .0029 0 0 |
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Pauflerite |
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Krivovichev S V, Vergasova L P, Britvin S N, Filatov S K, Kahlenberg V, Ananiev V V |
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The Canadian Mineralogist 45 (2007) 921-927 |
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Pauflerite, B-VO(SO4), a new mineral species from the Tolbachik volcano, |
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Kamchatka Peninsula, Russia |
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Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006150 |
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7.3890 6.2740 7.0788 90 90 90 Pnma |
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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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V .33473 .25 .26710 .0082 .0096 .0060 .0091 0 -.0020 0 |
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S .37696 .75 .36810 .0064 .0063 .0055 .0074 0 -.0006 0 |
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O1 .3752 .5627 .2434 .0120 .0191 .0055 .0115 -.0005 .0005 -.0019 |
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O2 .1264 .25 .3324 .0127 .0094 .0139 .0146 0 -.0009 0 |
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O3 .5448 .75 .4807 .0124 .0084 .0198 .0088 0 -.0029 0 |
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O4 .2157 .75 .4901 .0125 .0101 .0196 .0078 0 .0018 0 |
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Parageorgbokiite |
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Krivovichev S V, Filatov S K, Burns P C, Vergasova L P |
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The Canadian Mineralogist 45 (2007) 929-934 |
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The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2 |
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Locality: Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006151 |
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5.3982 8.0543 11.1277 90 99.258 90 P2_1/c |
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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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Cu1 .52244 .20949 .38388 .0136 .0163 .0145 .0108 -.0039 .0044 -.0029 |
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Cu2 0 .5 .5 .0126 .0096 .0174 .0107 -.0025 .0020 -.0010 |
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Cu3 .47613 .57640 .38012 .0116 .0128 .0133 .0094 .00218 .0034 .0012 |
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Se .13167 .90880 .28438 .0108 .0117 .0123 .0090 -.00031 .0033 .0003 |
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Cl .7221 .8513 .47423 .0197 .0215 .0244 .0149 -.0057 .0076 -.0016 |
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O1 .6724 .3980 .4729 .0108 .0102 .0138 .0088 -.0010 .0030 -.0005 |
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O2 .3464 .0584 .2599 .0153 .0184 .0175 .0114 -.0089 .0063 -.0045 |
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O3 .2846 .7324 .2511 .0135 .0171 .0125 .0114 .0051 .0035 .0047 |
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O4 -.0834 .9311 .1590 .0151 .0119 .0221 .0118 .0006 .0036 .0051 |
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Isolueshite |
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Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
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European Journal of Mineralogy 12 (2000) 597-607 |
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Crystal structure of isolueshite and its synthetic compositional analogue |
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Sample: isolueshite |
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_database_code_amcsd 0006836 |
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3.909 3.909 3.909 90 90 90 Pm-3m |
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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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Na 0 0 0 .75 .0182 .0182 .0182 .0182 0 0 0 |
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La 0 0 0 .19 .0182 .0182 .0182 .0182 0 0 0 |
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Ca 0 0 0 .06 .0182 .0182 .0182 .0182 0 0 0 |
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Nb 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
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Ti 1/2 1/2 1/2 .5 .0134 .0134 .0134 .0134 0 0 0 |
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O .579 0 1/2 .25 .029 .025 .012 .050 0 0 0 |
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Isolueshite |
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Krivovichev S V, Chakhmouradian A R, Mitchell R H, Filatov S K, Chukanov N V |
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European Journal of Mineralogy 12 (2000) 597-607 |
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Crystal structure of isolueshite and its synthetic compositional analogue |
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Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3 |
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_database_code_amcsd 0006837 |
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7.7842 7.8033 7.7828 90 90 90 Cmcm |
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atom x y z occ Biso |
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NaA1 0 .002 1/4 .75 1.47 |
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LaA1 0 .002 1/4 .25 1.47 |
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NaA2 0 .499 1/4 .75 1.47 |
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LaA2 0 .499 1/4 .25 1.47 |
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NbB 1/4 1/4 0 .5 1.42 |
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TiB 1/4 1/4 0 .5 1.42 |
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O1 .215 0 0 2.7 |
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O2 0 .232 .005 1.7 |
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O3 .298 .237 1/4 .6 |
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Filatovite |
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Filatov S K, Krivovichev S V, Burns P C, Vergasova L P |
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European Journal of Mineralogy 16 (2004) 537-543 |
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Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], |
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the first arsenate of the feldspar group |
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_database_code_amcsd 0007076 |
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8.772 13.370 14.690 90 115.944 90 I2/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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K .28451 .00038 .06940 .90 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010 |
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Na .28451 .00038 .06940 .10 .0465 .0292 .0567 .0483 -.0009 .0122 -.0010 |
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AsT1 .00850 .18364 .10767 .55 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119 |
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SiT1 .00850 .18364 .10767 .45 .0175 .0187 .0189 .0154 -.00378 .00783 -.00119 |
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AlT2 .00558 .18560 .61510 .94 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014 |
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ZnT2 .00558 .18560 .61510 .06 .0205 .0201 .0236 .0181 -.0032 .0085 -.0014 |
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AlT3 .71009 .12077 .17143 .96 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007 |
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ZnT3 .71009 .12077 .17143 .04 .0215 .0207 .0197 .0229 -.0009 .0084 -.0007 |
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AsT4 .70229 .11568 .67225 .55 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060 |
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SiT4 .70229 .11568 .67225 .45 .0177 .0174 .0154 .0185 -.00107 .00627 -.00060 |
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O1 .0046 .1435 .0010 .0292 .0389 .0292 .0200 -.0001 .0134 -.0031 |
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O2 .6299 .9986 .1418 .0345 .0303 .0203 .0418 .0027 .0056 .0047 |
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O3 .8340 .1450 .1076 .0448 .0342 .062 .0476 -.0176 .0264 -.0069 |
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O4 .8160 .1447 .6131 .0406 .0290 .060 .0377 -.0080 .0191 .0006 |
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O5 .0253 .3055 .1204 .0297 .0312 .0201 .0352 -.0036 .0121 -.0042 |
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O6 .0336 .3145 .6345 .0305 .0238 .0241 .0386 -.0043 .0091 -.0046 |
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O7 .1751 .1303 .1970 .0351 .0359 .0371 .0211 .0047 .0023 .0034 |
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O8 .1839 .1214 .7048 .0311 .0305 .0354 .0212 .0051 .0056 .0008 |
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K2Cr2O7 |
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Krivovichev S V, Kir'yanova E V, Filatov S K, Burns P C |
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Acta Crystallographica C56 (2000) 629-630 |
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Beta-K2Cr2O7 |
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Note: dimorphic with lopezite |
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_database_code_amcsd 0010323 |
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13.0339 7.375 7.4672 90 91.923 90 C2/c |
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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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K .14473 .15065 .35562 .0336 .0382 .0266 -.0056 .0002 -.0043 |
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Cr .39714 .17429 .13497 .0206 .0226 .0207 -.00247 .00292 -.00125 |
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O1 .44153 .3071 -.0176 .0334 .0398 .0281 -.0049 .0069 .0076 |
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O2 .33753 .2974 .2780 .0379 .0373 .0277 .0088 .0082 -.0012 |
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O3 .5 .0595 .25 .0256 .0251 .0343 0 .0020 0 |
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O4 .32025 .0254 .0494 .0371 .0368 .0479 -.0112 -.0072 -.0054 |
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Chloromenite |
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Krivovichev S V, Filatov S K, Semenova T F, Rozhdestvenskaya I V |
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Zeitschrift fur Kristallographie 213 (1998) 645-649 |
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Crystal chemistry of inorganic compounds based on chains of oxocentered |
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tetrahedra I. Crystal structure of chloromenite, Cu9O2(SeO3)4Cl6 |
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Locality: Tolbachik volcano, Kamchatka, Russia |
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_database_code_amcsd 0011081 |
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14.170 6.262 12.999 90 113.05 90 I2/m |
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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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Cu1 .5 0 0 .0192 .0167 .0261 .0152 0 .0066 0 |
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Cu2 .3792 0 .1633 .0152 .0141 .0114 .0206 0 .0073 0 |
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Cu3 .2835 0 .5526 .0214 .0250 .0140 .0258 0 .0108 0 |
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Cu4 .1186 0 .0259 .0257 .0132 .0492 .0122 0 .0024 0 |
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Cu5 .25 -.25 .25 .0149 .0163 .0102 .0192 .0018 .0080 .0039 |
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Se1 .2516 0 .88863 .0162 .0156 .0194 .0129 0 .0048 0 |
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Se2 .03842 0 .23727 .0124 .0126 .0103 .0136 0 .0043 0 |
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O1 .2381 0 .1601 .013 .014 .006 .015 0 .000 0 |
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O2 .3761 -.2967 .2170 .021 .024 .016 .031 .005 .016 .015 |
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O3 .3115 -.307 .5713 .026 .021 .014 .044 .000 .014 .006 |
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O4 .3664 0 .0014 .025 .015 .046 .015 0 .006 0 |
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O5 .0150 0 .0980 .022 .011 .035 .016 0 .001 0 |
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Cl1 .3688 0 .4363 .0244 .0253 .0253 .0220 0 .0075 0 |
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Cl2 .4460 0 .8068 .0266 .0182 .041 .0180 0 .0044 0 |
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Cl3 .1484 0 .5968 .0431 .043 .042 .056 0 .032 0 |
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Georgbokiite |
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Krivovichev S V, Shuvalov R R, Semenova T F, Filatov S K |
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Zeitschrift fur Kristallographie 214 (1999) 135-138 |
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Crystal chemistry of inorganic compounds based on chains of oxocentered |
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tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2 |
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Locality: Tolbachik volcano, Kamchatka, Russia |
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_database_code_amcsd 0011082 |
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6.030 13.744 5.562 90 95.75 90 P2_1/c |
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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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Cu1 .4304 .18954 .5552 .0177 .0200 .0171 .0167 .0020 .0054 .0016 |
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Cu2 .5 0 0 .0163 .0155 .0206 .0130 .0030 .0028 .0025 |
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Cu3 .2593 .99640 .4868 .0160 .0126 .0191 .0164 .0005 .0017 -.0026 |
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Se .0620 .13521 .8999 .0149 .0134 .0174 .0143 .0009 .0024 .0003 |
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O1 .5030 .0618 .6805 .0165 .015 .020 .015 -.002 .003 .000 |
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O2 .2234 .0596 .0767 .0186 .012 .026 .018 .002 .002 .003 |
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O3 .027 .0728 .6330 .0173 .017 .017 .017 -.002 .001 -.003 |
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O4 .2469 .2216 .8163 .0189 .021 .019 .016 -.003 .004 .003 |
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Cl .6712 .1750 .2657 .0209 .0208 .0239 .0187 .0027 .0053 .0025 |
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| Download AMC data (View Text File)
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Urusovite |
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Krivovichev S V, Molchanov A V, Filatov S K |
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Crystallography Reports 45 (2000) 723-727 |
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Crystal structure of urusovite Cu(AlAsO5): a new type of an aluminoarsenate |
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tetrahedral polyanion |
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Locality: Kamchatka peninsula, Russia |
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_database_code_amcsd 0012367 |
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7.335 10.255 5.599 90 99.79 90 P2_1/c |
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atom x y z Uiso |
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Cu .4618 .14033 .9095 .0102 |
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Al .1455 .1770 .4355 .0080 |
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As .7257 .10839 .4261 .0082 |
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O1 .6231 .0407 .1596 .013 |
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O2 .9041 .1996 .3745 .0123 |
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O3 .5707 .1946 .5470 .0110 |
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O4 .2354 .2223 .7328 .0101 |
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O5 .1984 .0136 .3844 .013 |
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Ponomarevite |
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Semenova T F, Rozhdestvenskaya I V, Filatov S K, Verasova L P |
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Doklady Akademii Nauk SSSR 304 (1989) 427-430 |
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Crystal structure of a new mineral ponomarevite, K4Cu4OCl10 |
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Locality: the main Tolbachik fissure eruption (1975-76), Kamchatka |
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_database_code_amcsd 0012479 |
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14.740 14.900 8.948 90 104.79 90 C2/c |
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atom x y z Biso |
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Cul .43862 .29086 .36773 171 |
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Cu2 .40822 .14100 .11418 196 |
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K1 .34083 .12926 .62424 280 |
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K2 .13154 .07278 .14001 259 |
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Cl1 .5 .41468 .25 274 |
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Cl2 .05220 .27569 .08479 250 |
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Cl3 .30406 .20443 .27378 275 |
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Cl4 .29454 .05970 -.04216 258 |
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Cl5 .37874 .38144 .51880 261 |
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Cl6 .5 .01969 .25 346 |
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O .5 .21591 .25 154 |
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Alumoklyuchevskite |
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Krivovichev S V, Filatov S K, Cherepansky P N |
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Geology of Ore Deposits 51 (2009) 656-662 |
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The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 |
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Locality: Great Tolbachik Fissure Eruption, |
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Kamchatka Peninsula, Russia, 1975-1976 |
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_database_code_amcsd 0017777 |
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18.772 4.967 18.468 90 101.66 90 I2 |
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atom x y z occ Uiso |
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K1 .5 .483 .5 .031 |
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K2 0 .464 .5 .025 |
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K3 .3700 .519 .7465 .020 |
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K4 .4294 .037 .2776 .034 |
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Cu1 .1866 .0018 .5327 .0211 |
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Cu2 .2600 -.0137 .4098 .0139 |
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Cu3 .1693 .4850 .4167 .0129 |
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AlMc .3025 .514 .5282 .64 .020 |
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FeMc .3025 .514 .5282 .36 .020 |
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S1 .1835 .503 .6259 .029 |
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S2 .3309 .487 .3649 .014 |
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S3 .0728 -.015 .3692 .013 |
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S4 .4059 .024 .6022 .019 |
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O1 .1838 .460 .7051 .04 |
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O2 .1338 .356 .5718 .04 |
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O3 .1607 .786 .6087 .017 |
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O4 .2603 .480 .6170 .017 |
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O5 .3563 .560 .4428 .005 |
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O6 .3894 .434 .3248 .04 |
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O7 .3124 .777 .3569 .033 |
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O8 .2650 .329 .3417 .034 |
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O9 .0067 -.048 .3160 .049 |
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O10 .0901 .700 .3594 .034 |
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O11 .0650 .024 .4453 .031 |
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O12 .1311 .156 .3551 .036 |
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O13 .4734 .028 .5763 .018 |
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O14 .4147 -.005 .6823 .023 |
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O15 .3845 .310 .5831 .028 |
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O16 .3476 .8556 .5651 .025 |
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O17 .232 .732 .480 .04 |
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O18 .233 .231 .476 .04 |
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|
Kamchatkite |
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Varaksina T V, Fundamensky V S, Filatov S K, Vergasova L P |
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Mineralogical Magazine 54 (1990) 613-616 |
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The crystal structure of kamchatkite, a new naturally occuring |
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oxychloride sulphate of potassium and copper |
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Locality: Tolbachik Main Fracture eruption, Kamchatka, Russia |
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_database_code_amcsd 0014493 |
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9.741 12.858 7.001 90 90 90 Pna2_1 |
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atom x y z Biso |
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K .1346 .5745 .8472 2.19 |
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Cu1 .1520 .14914 .8363 .97 |
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Cu2 .2221 .90739 .8353 .95 |
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Cu3 -.0012 -.0009 .0811 .88 |
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S1 .1694 .8542 .3394 .81 |
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S2 .0710 .2097 .3353 .92 |
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O1 .1759 .9250 .5069 1.0 |
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O2 .0455 .7907 .3188 1.03 |
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O3 .2065 .2930 .8423 1.32 |
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O4 .1722 .9221 .1645 1.7 |
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O5 .0793 .7888 .8458 1.1 |
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O6 .1287 .1569 .4991 1.6 |
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O7 .1154 .3211 .3509 1.35 |
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O8 .1171 .1540 .1623 .9 |
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O9 .0797 .0101 .8227 .7 |
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Cl .1344 .5586 .3396 1.68 |
|
|
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| |
|
Fedotovite |
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Starova G L, Filatov S K, Fundamensky V S, Vergasova L P |
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Mineralogical Magazine 55 (1991) 613-616 |
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The crystal structure of fedotovite, K2Cu3O(SO4)3 |
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Locality: Tolbachik fissure eruption, Kamchatka Peninsula, Russia |
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Note: x(S3), z(S3), and z(O11) changed to match bond length table |
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_database_code_amcsd 0014494 |
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19.0370 9.479 14.231 90 111.04 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K1 .32573 .7519 .4388 .001315 .008792 .004889 .000683 .000466 -.000040 |
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K2 .1957 .7346 .1249 .001370 .012103 .005555 .000831 .000699 -.001450 |
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Cu1 .48071 .01816 .34265 .001267 .003673 .001573 .000074 .000614 -.000357 |
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Cu2 .48587 .47738 .14018 .001196 .004229 .001658 -.000089 .000583 -.000695 |
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Cu3 .42119 .74635 .20615 .000934 .003172 .002494 .000015 .000445 .000159 |
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S1 .50646 .7505 .4904 .001568 .003339 .001261 .000015 .000763 .000020 |
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S2 .64724 .0261 .3652 .001196 .003812 .002211 .000282 .000403 .000238 |
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S3 .35150 .4648 .2148 .001045 .004007 .002579 -.000252 .000657 .000159 |
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O1 .5 .8908 .25 .001109 .003061 .001275 .000000 .000530 .000000 |
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O2 .4501 .8269 .4066 .001584 .005287 .002211 .000148 .000752 .000894 |
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O3 .5620 .6771 .4582 .002059 .005008 .002126 -.000163 .000191 .000834 |
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O4 .4636 .6480 .5267 .001821 .004452 .002267 .000119 .000784 -.000913 |
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O5 .5891 .0572 .4098 .001346 .008069 .002976 -.000297 .000561 -.001787 |
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O6 .4051 .4394 .3183 .001505 .006956 .002551 -.000148 .000593 -.001430 |
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O7 .3385 .6195 .2000 .001109 .004730 .005527 .000059 .000742 .000596 |
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O8 .2803 .3966 .2007 .001425 .006399 .004393 .001039 .001059 .000199 |
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O9 .5478 .8504 .5706 .001505 .004257 .002692 -.000074 .000763 -.001072 |
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O10 .6215 .0720 .2585 .001663 .008069 .002551 .000891 .000530 -.001191 |
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O11 .3844 .4150 .1430 .001742 .008069 .003259 -.001336 .001377 -.001589 |
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O12 .5 .6045 .25 .000871 .002782 .001984 .000000 .000424 .000000 |
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O13 .6606 .8707 .3699 .001267 .004452 .004535 .000238 -.000106 .000218 |
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O14 .7169 .0959 .4243 .001346 .006121 .003401 .000742 .000318 .000397 |
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|
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| |
|
Sophiite |
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Semenova T F, Rozhdestvenskaya I V, Filatov S K, Vergasova L P |
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Mineralogical Magazine 56 (1992) 241-245 |
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Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral |
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Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia |
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Note: y(Zn2) corrected |
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_database_code_amcsd 0014495 |
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10.251 15.223 7.666 90 90 90 Pccn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zn1 .4942 .3850 .3493 1.71 .003973 .001985 .006892 -.000192 .000382 -.000857 |
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Zn2 .7234 .4691 .1016 1.84 .002736 .003333 .005445 .000801 -.000350 -.000407 |
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Se .4636 .5909 .2241 1.22 .002450 .001413 .005658 -.000032 .000445 -.000021 |
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Cl1 .2845 .3778 .4320 2.13 .003569 .002158 .012337 -.000481 .001273 .000643 |
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Cl2 .5910 .2976 .1599 2.87 .009754 .002265 .010210 .001282 .002227 -.000643 |
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O1 .4098 .5863 .4320 1.4 .002379 .002589 .003829 -.000481 .000954 -.000643 |
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O2 .5473 .4947 .2097 1.5 .001665 .001726 .008934 .000320 .002227 .000214 |
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O3 .3164 .5575 .1476 1.4 .003093 .002050 .004254 .000801 .002227 -.000214 |
|
|
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|
| |
|
Klyuchevskite |
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Gorskaya M G, Filatov S K, Rozhdestvenskaya I V, Vergasova L P |
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Mineralogical Magazine 56 (1992) 411-416 |
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The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, |
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a new mineral from Kamchatka volcanic sublimates |
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Locality: Tolbachik Main Fracture Eruption, Kamchatka Peninsula, Russia |
|
_database_code_amcsd 0014497 |
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18.6670 4.94 18.405 90 101.5 90 I2 |
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atom x y z occ Biso |
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K1 .5 .448 .5 1.47 |
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K2 0 .464 .5 1.69 |
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K3 .37 .503 .746 1.5 |
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K4 .429 -.019 .28 1.88 |
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Cu1 .186 0 .535 1.5 |
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Cu2 .259 .015 .41 1.2 |
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Cu3 .17 .485 .416 1.0 |
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Fe .302 .528 .531 .82 .9 |
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Al .302 .528 .531 .18 .9 |
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S1 .184 .535 .628 1.05 |
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S2 .329 .48 .366 1.32 |
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S3 .074 -.022 .366 .91 |
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S4 .407 .02 .604 1.23 |
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O1 .173 .48 .708 1.5 |
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O2 .136 .334 .568 1.5 |
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O3 .16 .8 .608 1.5 |
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O4 .261 .521 .62 1.5 |
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O5 .35 .507 .445 1.5 |
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O6 .39 .443 .329 1.5 |
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O7 .318 .776 .356 1.5 |
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O8 .274 .233 .343 1.5 |
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O9 .005 .038 .315 1.5 |
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O10 .09 .663 .363 1.5 |
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O11 .064 .027 .445 1.5 |
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O12 .134 .178 .358 1.5 |
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O13 .478 .014 .575 1.5 |
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O14 .415 .052 .687 1.5 |
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O15 .391 .331 .586 1.5 |
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O16 .349 .841 .553 1.5 |
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O17 .232 .755 .478 1.5 |
|
O18 .226 .254 .477 1.5 |
|
|
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|
| |
|
Vlodavetsite |
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Starova G L, Filatov S K, Matusevich G L, Fundamensky V S |
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Mineralogical Magazine 59 (1995) 159-162 |
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The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O |
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Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia |
|
_database_code_amcsd 0014515 |
|
6.870 6.870 13.342 90 90 90 I4/m |
|
atom x y z Biso |
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Al 0 0 0 1.13 |
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Ca 0 0 .7015 1.06 |
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S .5 0 .75 1.05 |
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F 0 0 .8688 1.40 |
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Cl 0 0 .5 2.12 |
|
O1 .3372 .0635 .6859 1.64 |
|
O2 .0594 .2727 0 1.74 |
|
H .078 .327 .051 1.95 |
|
|
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|
| |
|
Averievite |
|
Starova G L, Krivovichev S V, Fundamensky V S, Filatov S K |
|
Mineralogical Magazine 61 (1997) 441-446 |
|
The crystal structure of averievite, Cu5O2(VO4)2*nMX: |
|
comparison with related compounds |
|
Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005 |
|
Locality: Main Tolbachik Fracture Eruption of Kamchatka |
|
_database_code_amcsd 0014526 |
|
6.375 6.375 8.399 90 90 120 P3 |
|
atom x y z occ Uiso |
|
Cu1 0 0 0 .018 |
|
Cu2 .338 .161 .280 .0096 |
|
Cu3 2/3 1/3 .5492 .023 |
|
Cu4 1/3 2/3 .01774 .69 .06333 |
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Cu5 1/3 2/3 .53143 .32 .06333 |
|
V1 2/3 1/3 -.032 .008 |
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V2 0 0 .584 .004 |
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O1 0 0 .785 .032 |
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O2 2/3 1/3 .339 .00887 |
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O3 0 0 .244 .01013 |
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O4 2/3 1/3 -.225 .009 |
|
O5 .379 .186 .031 .029 |
|
O6 .304 .143 .509 .017 |
|
Cl1 1/3 2/3 .27140 .06333 |
|
Cl2 1/3 2/3 .76793 .06333 |
|
|
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|
| |
|
Cs.82B1.09Si1.98O6 |
| |
Bubnova R S, Stepanov N K, Levin A A, Filatov S K, Paufler P, Meyer D C |
| |
Solid State Sciences 6 (2004) 629-627 |
|
Crystal structure and thermal behaviour of boropollucite CsBSi2O6 |
|
_database_code_amcsd 0015521 |
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13.009 13.009 13.009 90 90 90 Ia-3d |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cs .125 .125 .125 .814 2.49 .03129 .03129 .03129 .00553 .00553 .00553 |
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B .125 .16169 .41169 .365 1.28 .01800 .01552 .01552 .00189 -.00189 .00304 |
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Si .125 .16169 .41169 .659 1.28 .01800 .01552 .01552 .00189 -.00189 .00304 |
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O .10437 .13369 .71953 2.70 .03824 .03884 .02469 .00694 .00857 .00733 |
|
|
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|
| |
|
Bradaczekite |
| |
Krivovichev S V, Filatov S K, Burns P C |
| |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 2001 (2001) 1-8 |
|
The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite |
|
structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3 |
|
_database_code_amcsd 0015718 |
|
12.053 12.432 7.2529 90 117.793 90 C2/c |
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atom x y z Uiso |
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Na 0 .4924 .25 .0209 |
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Cu1 0 .00439 .25 .0099 |
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Cu2 .78021 .34367 .86019 .0108 |
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Cu3 0 .76511 .25 .0140 |
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As1 .22752 .38288 .12152 .0071 |
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As2 0 .22278 .25 .0076 |
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O1 .1672 .5053 .1180 .0128 |
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O2 .8970 .1230 .2418 .0107 |
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O3 .3819 .3893 .1763 .0136 |
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O4 .2212 .3075 .3080 .0106 |
|
O5 .1456 .3328 .8786 .0108 |
|
O6 -.0430 .2971 .0365 .0144 |
|
|
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|
| |
|
Lammerite-beta |
| |
Starova G L, Vergasova L P, Filatov S K, Britvin S N. Ananyev V V |
| |
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva 140 (2011) 46-51 |
|
Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great |
|
Fissure Tolbachic eruption (Kamchatka, Russia) |
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Locality: Second cinder cone, North Branch, Tolbach volcano, Kamchatka, Russia |
|
_database_code_amcsd 0018801 |
|
6.306 8.643 11.310 90 92.26 90 P2_1/c |
|
atom x y z Uiso |
|
Cu1 .2429 .1645 .6322 .010 |
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Cu2 -.0925 .1900 .4316 .008 |
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Cu3 -.6172 .0312 .1225 .011 |
|
As1 -.5861 .1137 .3681 .005 |
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As2 -.1040 .0603 .1509 .006 |
|
O1 -.0411 .2404 .1044 .009 |
|
O2 -.5177 -.0717 .3641 .012 |
|
O3 -.3970 .2394 .4177 .009 |
|
O4 -.6597 .1556 .2262 .010 |
|
O5 .0840 -.0689 .1188 .010 |
|
O6 -.1287 .0510 .2983 .010 |
|
O7 -.3289 -.0022 .0835 .011 |
|
O8 .2031 .1304 .4554 .013 |
|
|
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|
| |
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