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Gainesite |
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Moore P B, Araki T, Steele I M, Swihart G H, Kampf A R |
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American Mineralogist 68 (1983) 1022-1028 |
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Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal |
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structure |
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_database_code_amcsd 0000922 |
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6.567 6.567 17.119 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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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Na1 0 .0352 .0352 .135 0.0198 0.0344 0.0021 0 0 0.0067 |
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Na2 0 .6654 .0398 .104 0.0144 0.0585 0.0027 0 0 0.0058 |
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Zr 0 .25 .375 0.0036 0.0036 0.0007 0 0 0 |
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Be 0 .75 .125 .5 0.0154 0.0154 0.0019 0 0 0 |
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P 0 .1760 .1742 .5 0.0035 0.0053 0.0007 0 0 -.0002 |
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O1 0 .25 .2551 0.0107 0.0107 0.0010 0 0 0 |
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O2 0 .5645 .3781 0.0109 0.0037 0.0012 0 0 -.0003 |
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O3 0 .5540 .1826 .5 0.0125 0.0057 0.0016 0 0 0.0002 |
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Luneburgite |
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Sen Gupta P K, Swihart G H, Dimitrijevic R, Hossain M B |
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American Mineralogist 76 (1991) 1400-1407 |
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The crystal structure of luneburgite, Mg3(H2O)6[B2(OH)6(PO4)2] |
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_database_code_amcsd 0001396 |
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6.3475 9.8027 6.2976 84.46 106.40 96.40 P-1 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 0 0 0.0118 0.0083 0.0100 .00129 .00069 -.00205 |
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Mg2 .33887 .66623 -.31919 .00873 .01036 .00676 -.00013 .00242 -.00095 |
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P .24078 .72309 .13711 .00823 .00785 .00529 .00073 .00133 -.00070 |
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B -.12248 .71136 -.22907 0.0070 0.0077 0.0076 -0.0001 0.0010 -0.0021 |
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O1 .22712 .87371 .17200 0.0149 0.0085 0.0110 0.0018 -.0006 -0.0027 |
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O2 .41127 .71210 .01082 0.0107 0.0178 0.0089 0.0010 0.0038 -0.0019 |
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O3 .28952 .63511 .35400 0.0154 0.0104 0.0061 0.0024 0.0016 -0.0003 |
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O4 .00992 .66280 -.00409 0.0090 0.0123 0.0074 -0.0012 -.0008 0.0005 |
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O5 -.15042 .85815 -.22787 0.0115 0.0092 0.0164 0.0015 -.0009 -0.0026 |
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O6 .00028 .69116 -.38998 0.0107 0.0190 0.0108 -0.0014 0.0042 -0.0055 |
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O7 -.33537 .63179 -.27715 0.0073 0.0096 0.0142 -0.0014 0.0023 -0.0036 |
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O8 -.21919 .91168 .20918 0.0196 0.0185 0.0187 -0.0012 0.0076 -0.0006 |
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O9 .39704 .87847 -.39107 0.0163 0.0118 0.0105 0.0009 0.0021 -0.0010 |
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O10 .26772 .45615 -.24132 0.0123 0.0136 0.0128 0.0009 0.0045 0.0022 |
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H1 .2779 .1276 .2859 3.16 |
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H2 .0780 .3599 .4879 3.16 |
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H3 .3240 .4464 .3051 3.16 |
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H4 .6657 .8588 .1447 3.16 |
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H5 .8506 .8667 .3066 3.16 |
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H6 .6524 .0656 .3362 3.16 |
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H7 .3435 .8946 .4792 3.16 |
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H8 .8233 .5581 .1717 3.16 |
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H9 .6279 .5878 .1793 3.16 |
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Chalcomenite |
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Robinson P D, Sen Gupta P K, Swihart G H, Houk L |
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American Mineralogist 77 (1992) 834-838 |
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Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite, |
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Cu(H2O)2[SeO3] |
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_database_code_amcsd 0001528 |
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6.674 9.161 7.398 90 90 90 P2_12_12_1 |
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atom x y z Biso |
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Se .73173 .89063 .45720 .79 |
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Cu .0282 .85137 .7860 1.19 |
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O1 .9735 .8882 .5279 1.3 |
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O2 .7488 .7804 .2718 1.4 |
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O3 .7294 .0586 .3580 1.4 |
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Wat4 .0578 .7872 .0440 1.7 |
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Wat5 .2090 .0597 .8106 2.1 |
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H1 .9286 .7825 .0938 2.03 |
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H2 .0964 .7009 .0269 2.03 |
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H3 .2502 .1002 .6735 2.51 |
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H4 .3268 .0519 .9096 2.51 |
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Serendibite |
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Van Derveer D G, Swihart G H, Sen Gupta P K, Grew E S |
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American Mineralogist 78 (1993) 195-203 |
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Cation occupancies in serendibite: A crystal structure study |
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Sample from Johnsburg, New York |
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Displacement parameters obtained from ICSD |
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_database_code_amcsd 0001546 |
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10.010 10.393 8.631 106.37 96.10 124.38 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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B1 .4651 .2357 .3304 .652 .0097 .0081 .0061 .0066 .0023 .0028 |
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Si1 .4651 .2357 .3304 .348 .0097 .0081 .0061 .0066 .0023 .0028 |
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Si2 .98393 .22828 .34086 .0069 .0070 .0062 .0042 .0018 .0029 |
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Al3 .78569 .34446 .23325 .0063 .0055 .0055 .0037 .0021 .0027 |
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B4 .2688 .3290 .2197 .980 .0058 .0065 .0076 .0027 .0020 .0038 |
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Si4 .2688 .3290 .2197 .020 .0058 .0065 .0076 .0027 .0020 .0038 |
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Si5 .64333 .94317 .44362 .0077 .0075 .0079 .0048 .0027 .0019 |
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Si6 .35610 .55441 .05422 .0065 .0060 .0056 .0040 .0022 .0022 |
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Al1 0 0 .5 .0063 .0058 .0050 .0041 .0018 .0021 |
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Al2 0 .5 0 .0059 .0054 .0054 .0035 .0021 .0019 |
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Al3 .31197 .85596 .17246 .0063 .0081 .0063 .0048 .0025 .0032 |
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Al4 .77752 .82192 .14551 .0079 .0088 .0083 .0055 .0033 .0041 |
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Mg5 .09481 .94392 .06251 .0042 .0061 .0055 .0037 .0028 .0042 |
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Mg6 .59383 .93901 .05623 .0044 .0066 .0076 .0037 .0027 .0044 |
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Al7 .99816 .74020 .25928 .0066 .0056 .0060 .0040 .0025 .0025 |
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Ca8 .21564 .62437 .39800 .775 .0100 .0097 .0085 .0067 .0040 .0045 |
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Na8 .21564 .62437 .39800 .225 .0100 .0097 .0085 .0067 .0040 .0045 |
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Ca9 .64732 .60051 .38263 .823 .0062 .0105 .0107 .0040 .0029 .0052 |
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Na9 .64732 .60051 .38263 .177 .0062 .0105 .0107 .0040 .0029 .0052 |
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O1 .3531 .0647 .1736 .0099 .0106 .0109 .0070 .0027 .0039 |
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O2 .8448 .0496 .1682 .0105 .0100 .0074 .0071 .0028 .0035 |
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O3 .5409 .9530 .2890 .0130 .0116 .0129 .0071 .0045 .0017 |
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O4 .0143 .9336 .2775 .0080 .0077 .0070 .0044 .0033 .0029 |
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O5 .2409 .8684 .3818 .0094 .0094 .0092 .0056 .0013 .0026 |
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O6 .7623 .8819 .3830 .0072 .0091 .0105 .0048 .0024 .0040 |
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O7 .4899 .2096 .4948 .0128 .0106 .0131 .0064 .0077 .0063 |
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O8 .9573 .7881 .4825 .0080 .0081 .0091 .0049 .0023 .0041 |
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O9 .9004 .3259 .3802 .0154 .0101 .0089 .0093 .0033 .0040 |
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O10 .3839 .3254 .3450 .0097 .0097 .0100 .0050 .0015 .0044 |
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O11 .6516 .1633 .0462 .0087 .0098 .0123 .0058 .0040 .0046 |
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O12 .1610 .1760 .0618 .0085 .0082 .0085 .0051 .0001 .0015 |
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O13 .5362 .7101 .0488 .0127 .0097 .0108 .0074 .0052 .0038 |
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O14 .0686 .7260 .0646 .0094 .0081 .0076 .0054 .0034 .0035 |
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O15 .2407 .6156 .1168 .0085 .0107 .0089 .0069 .0031 .0037 |
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O16 .7533 .6129 .1350 .0089 .0100 .0075 .0050 .0023 .0009 |
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O17 .3893 .4867 .1931 .0103 .0084 .0088 .0058 .0043 .0051 |
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O18 .9520 .5259 .2158 .0110 .0106 .0088 .0067 .0029 .0043 |
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O19 .1655 .3586 .3125 .0101 .0100 .0118 .0053 .0067 .0039 |
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O20 .6558 .3680 .3333 .0198 .0184 .0099 .0148 .0064 .0052 |
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|
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Moctezumite |
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Swihart G H, Sen Gupta P K, Schlemper E O, Back M E, Gaines R V |
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American Mineralogist 78 (1993) 835-839 |
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The crystal structure of moctezumite [PbUO2](TeO3)2 |
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_database_code_amcsd 0001608 |
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7.813 7.061 13.775 90 93.71 90 P2_1/c |
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atom x y z Biso |
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U .0502 .1564 .80919 .71 |
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Pb .5642 .1241 .32911 1.23 |
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Te1 .3500 .1855 .0450 .79 |
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Te2 .8158 .1669 .5806 .78 |
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O1 .161 .856 .146 1.4 |
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O2 .296 .447 .036 1.4 |
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O3 .739 .825 .237 1.6 |
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O4 .615 .346 .143 1.5 |
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O5 .485 .820 .043 1.4 |
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O6 .934 .526 .155 1.6 |
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O7 .925 .166 .181 1.5 |
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O8 .832 .884 .042 1.9 |
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