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Esperite |
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Tait K T, Yang H, Downs R T, Li C, Pinch W W |
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American Mineralogist 95 (2010) 699-705 |
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The crystal structure of esperite, with a revised chemical formula, |
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PbCa2(ZnSiO4)3, isostructural with beryllonite |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0005046 |
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8.7889 8.2685 15.2535 90 90.050 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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Pb .245756 .055200 .250826 .00928 .01076 .00671 .01038 .00027 .00008 -.00001 |
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Ca1 .73827 .46078 .07414 .00779 .0082 .0068 .0084 -.0006 .0008 .0004 |
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Ca2 .76071 .03835 .08855 .00768 .0095 .0060 .0076 -.0006 -.0010 .0004 |
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Zn1 .57626 .33526 .24338 .00795 .00805 .00877 .00704 -.00053 .00070 -.00056 |
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Zn2 .07422 .33879 .09038 .00789 .00759 .00824 .00786 -.00036 .00004 .00054 |
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Zn3 .09274 .33936 .41626 .00797 .00828 .00850 .00713 .00048 -.00057 -.00032 |
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Si1 .91112 .22833 .26527 .00588 .0062 .0058 .0057 .0005 -.0001 -.0003 |
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Si2 .43933 .22969 .41207 .00581 .0062 .0059 .0053 -.0003 .0005 .0000 |
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Si3 .39507 .22585 .07455 .00596 .0060 .0058 .0062 -.0005 .0002 .0001 |
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O1 .4095 .2295 .1819 .0094 .0095 .0121 .0066 -.0038 .0005 -.0003 |
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O2 .4339 .7366 .2947 .0093 .0075 .0121 .0083 -.0016 .0007 -.0038 |
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O3 .2698 .2303 .3661 .0095 .0079 .0117 .0089 .0023 -.0019 -.0038 |
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O4 .7684 .2503 .1979 .0087 .0080 .0109 .0071 .0019 -.0012 -.0016 |
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O5 .9125 .2422 .0170 .0082 .0097 .0096 .0052 -.0020 .0004 -.0002 |
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O6 .5655 .2541 .0346 .0086 .0067 .0104 .0088 -.0015 .0012 -.0018 |
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O7 .5464 .3672 .3678 .0097 .0130 .0088 .0073 -.0034 .0019 .0002 |
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O8 .2762 .3633 .0417 .0099 .0091 .0087 .0118 .0021 .0013 .0041 |
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O9 .9147 .3644 .3420 .0097 .0107 .0085 .0098 .0015 -.0029 -.0036 |
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O10 .5889 .5519 .1881 .0115 .0173 .0063 .0108 -.0007 .0033 -.0009 |
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O11 -.0172 .5545 .1060 .0102 .0096 .0055 .0156 -.0006 .0012 .0004 |
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O12 .1723 .5508 .4532 .0103 .0123 .0067 .0120 .0011 -.0034 .0005 |
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Kolbeckite |
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Yang H, Li C, Jenkins R A, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i91-i92 |
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Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite |
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Locality: Hot Springs County, Arkansas, USA |
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_database_code_amcsd 0010338 |
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5.4258 10.2027 8.9074 90 90.502 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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Sc .41180 .33384 .29797 .94 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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V .41180 .33384 .29797 .03 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Fe .41180 .33384 .29797 .02 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Al .41180 .33384 .29797 .01 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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P -.08648 .15360 .17938 .01197 .01036 .01061 .01494 .00055 .00074 -.00022 |
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O1 .16573 .18718 .24833 .02099 .01207 .01509 .03573 -.00046 -.00409 -.00584 |
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O2 -.10604 .20645 .02028 .02537 .04097 .01995 .01522 .00354 .00152 .00167 |
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O3 -.28691 .21526 .27535 .01868 .01642 .01808 .02163 .00463 .00473 .00065 |
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O4 -.11366 .00430 .18163 .01702 .01328 .01151 .02627 .00016 -.00049 .00057 |
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O5 .10392 .46097 .29539 .04840 .01217 .01524 .11783 .00175 .00291 .00654 |
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O6 .43332 .36350 .05529 .03985 .04760 .05120 .02070 -.00914 -.00298 -.00224 |
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H1 -.02758 .46121 .28771 .02066 |
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H2 .15760 .53565 .27518 .05383 |
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H3 .31004 .32961 -.01456 .04282 |
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H4 .34954 .40089 .06978 .00001 |
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Olivenite |
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Li C, Yang H, Downs R T |
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Acta Crystallographica E64 (2008) i60-i61 |
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Redetermination of olivenite from an untwinned single-crystal |
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Locality: Majuba Hill, Pershing County, Nevada, USA |
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Note: RRUFF.info/R040181 |
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_database_code_amcsd 0010486 |
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8.5844 8.2084 5.9258 90.130 90 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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Cu1 .38101 .13699 .52383 .01125 .01148 .00725 .01503 -.00026 .00225 -.00003 |
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Cu2 .49966 .50071 .24933 .01022 .01370 .01085 .00612 -.00421 -.00003 -.00002 |
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As .24984 .26286 .01069 .916 .00764 .00795 .00743 .00753 -.00088 -.00011 -.00007 |
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P .24984 .26286 .01069 .084 .00764 .00795 .00743 .00753 -.00088 -.00011 -.00007 |
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O1 .10704 .40097 .05000 .01481 .01083 .00810 .02550 .00013 -.00058 -.00032 |
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O2 .41871 .36767 .00219 .01030 .01136 .01183 .00771 -.00537 -.00016 .00098 |
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O3H .40284 .37336 .50019 .00950 .01015 .00837 .00999 -.00003 .00017 .00048 |
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O4 .24696 .13032 .21912 .01442 .01640 .01542 .01143 -.00593 -.00360 .00316 |
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O5 .22262 .16609 -.23328 .01439 .01417 .01782 .01117 -.00471 .00217 -.00355 |
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H .32946 .39965 .51031 .02294 |
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Spodumene-II |
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Li C T, Peacor D R |
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Zeitschrift fur Kristallographie 126 (1968) 46-65 |
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The crystal structure LiAlSi2O6-II ("beta spodumene") |
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Locality: synthetic |
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Note, y coordinate of Si1 altered according to Clarke and Spink (1969) |
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_database_code_amcsd 0010656 |
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7.541 7.541 9.156 90 90 90 P4_32_12 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Li .0705 .1953 .5011 .5 4.26 .0195 .0245 .0083 -.0130 .0066 -.0091 |
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Al1 .3323 .1221 .2384 1/3 .19 .0012 .0013 .0000 .0001 .0002 -.0003 |
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Si1 .3323 .1221 .2384 2/3 .19 .0012 .0013 .0000 .0001 .0002 -.0003 |
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Al2 .4178 .4178 0 1/3 .22 .0011 .0011 .0005 -.0003 -.0005 .0005 |
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Si2 .4178 .4178 0 2/3 .22 .0011 .0011 .0005 -.0003 -.0005 .0005 |
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O1 .4432 .1207 .3931 1.88 .0102 .0091 .0037 -.0022 -.0044 .0008 |
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O2 .1245 .1159 .2994 1.07 .0031 .0080 .0020 .0006 .0000 -.0006 |
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O3 .3637 .3046 .1459 2.34 .0129 .0080 .0068 .0006 .0033 .0033 |
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Virgilite |
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Li C T |
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Zeitschrift fur Kristallographie 127 (1968) 327-348 |
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The crystal structure of LiAlSi2O6 III (high-quartz solid solution) |
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_database_code_amcsd 0010668 |
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5.217 5.217 5.464 90 90 120 P6_222 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Li 0 0 0 .3333 .0046 .0103 .0510 .0052 0 0 |
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Al .5 0 0 .3333 .0042 .0028 .0018 .0014 0 0 |
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Si .5 0 0 .6667 .0042 .0028 .0018 .0014 0 0 |
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O .2057 .4114 .5 .0176 .0188 .0186 .0094 .0089 0 |
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Clinoatacamite |
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Zheng X G, Kawae T, Kashitani Y, Li C S, Tateiwa N, |
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Takeda K, Yamada H, Xu C N, Ren Y |
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Physical Review B71 (2005) 052409-4 |
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Unconventional magnetic transitions in the mineral clinoatacamite |
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Locality: synthetic |
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_database_code_amcsd 0017752 |
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6.1637 6.8166 9.1140 90 99.6515 90 P2_1/n |
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atom x y z Uiso |
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Cu1 0 .5 .5 .0072 |
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Cu2 0 0 0 .0072 |
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Cu3 .2590 .2358 .7468 .0072 |
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OH1 .311 .2883 .5513 .0126 |
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OH2 .4255 -.008 .7789 .0126 |
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OH3 .2523 .6844 .5362 .0126 |
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Cl .1130 -.0044 .3080 .0141 |
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