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Carboborite |
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Zhesheng M, Nicheng S, Jinchuan S, Zhizhong P |
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Bulletin de Mineralogie 104 (1981) 578-581 |
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The refinement of the crystal structure of carboborite MgCa2[CO3]2[B(OH)4]2*4H2O |
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_database_code_amcsd 0012074 |
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11.011 6.674 10.692 90 116.64 90 P2_1/n |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5 0 0 .0027 .0062 .0028 0 .002 0 |
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Ca .2985 .9987 .2391 .0026 .0043 .0025 .0002 .0018 .0003 |
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C .2764 .2654 .0235 .0017 .0043 .0013 .0002 .0011 -.0002 |
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B .5080 -.2943 .2464 .0039 .0084 .0044 .0003 .0025 .0008 |
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O1 .2052 .2860 .0904 .0039 .0076 .0033 .0006 .0027 -.0002 |
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O2 .3437 .1008 .0430 .0044 .0079 .0047 .0018 .0038 .0016 |
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O3 .4121 .2975 .3838 .0034 .0094 .0037 -.0006 .0015 .0004 |
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O4 .2777 .4025 -.0589 .0065 .0085 .0051 .0022 .0044 .0021 |
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O5 .5477 -.2232 .1414 .0043 .0087 .0042 .0017 .0034 .0017 |
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O6 .5776 -.4827 .3093 .0035 .0074 .0052 .0011 .0022 .0021 |
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O7 .5278 -.1362 .3497 .0032 .0087 .0036 -.0012 .0021 -.001 |
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O8 .6370 .1934 .1519 .0061 .0105 .0052 .0003 .0012 .0013 |
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O9 .3593 -.3307 .1816 .0027 .0073 .0034 .0004 .0020 .0006 |
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H1 .116 .191 .631 |
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H2 .173 .120 .407 |
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H3 .358 .466 .624 |
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H4 .428 .305 .887 |
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H5 .401 .067 .615 |
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H6 .460 .267 .471 |
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H7 .168 .352 .724 |
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H8 .477 .350 .379 |
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Carbocernaite |
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Nicheng S, Zhesheng M, Zhizhong P |
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Kexue Tongbao 27 (1982) 76-80 |
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The crystal structure of carbocernaite |
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Locality: deposits of the Bayan Obo, Baotou, China |
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_database_code_amcsd 0014176 |
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5.26 6.40 7.34 90 90 90 Pmc2_1 |
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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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Sr 0 .1168 .2555 .44 1.41 .01129 .00457 .00974 0 0 -.00026 |
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Ce 0 .1168 .2555 .40 1.41 .01129 .00457 .00974 0 0 -.00026 |
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Ba 0 .1168 .2555 .11 1.41 .01129 .00457 .00974 0 0 -.00026 |
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Ca .5 .4844 .5495 .74 1.86 .01409 .00927 .01266 0 0 -.00117 |
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Na .5 .4844 .5495 .26 1.86 .01409 .00927 .01266 0 0 -.00117 |
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C1 0 .4176 .8436 .95 .01861 .00903 .01225 .00222 .00246 .00042 |
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C2 .5 .0343 .5782 1.68 .02006 .00824 .01749 -.00245 -.00116 .00058 |
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O1 .2097 .4907 .2951 2.02 .02575 .00909 .02162 0 0 .00021 |
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O2 .2850 .1288 .5452 2.49 .03623 .00402 .01749 0 0 .00276 |
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O3 0 .2313 .9204 3.15 .02006 .00561 .00505 0 0 .00186 |
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O4 .5 .1433 .1462 2.62 .01581 .00750 .01183 0 0 .00303 |
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Qingheiite |
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Zhesheng M, Nicheng S, Zhizhong P |
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Scientia Sinica, Series B26 (1983) 876-884 |
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Crystal structure of a new phosphatic mineral-qingheiite |
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Locality: Northwestern Qinghe County, Altay Prefecture, Uygur Autonomous Region, Xinjiang |
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Note: changed P3(z) to match reported bond distances |
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_database_code_amcsd 0015444 |
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11.856 12.411 6.421 90 114.45 90 P2_1/n |
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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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NaX1a .4997 .5031 .0005 .5 .51 .0057 .0009 .0115 0 -.0033 0 |
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MnX1b 0 0 0 1.24 .0033 .0007 .0089 0 -.0013 0 |
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NaX2 -.0008 .4773 .7524 .812 1.81 .0023 .0033 .0127 .0000 .0000 .0000 |
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CaX2 -.0008 .4773 .7524 .078 1.81 .0023 .0033 .0127 .0000 .0000 .0000 |
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MnM1 .5002 .2635 .7384 .71 .0011 .0009 .0081 0 .0014 .0003 |
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MgM2a .2258 .3488 .1352 .95 .39 .0013 .0010 .0084 .0001 .0013 -.0001 |
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MnM2a .2258 .3488 .1352 .05 .39 .0013 .0010 .0084 .0001 .0013 -.0001 |
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AlM2b .2818 .1643 .8602 .414 .78 .0002 .0007 .0053 -.0001 .0004 -.0001 |
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Fe2+M2b .2818 .1643 .8602 .255 .78 .0002 .0007 .0053 -.0001 .0004 -.0001 |
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MgM2b .2818 .1643 .8602 .177 .78 .0002 .0007 .0053 -.0001 .0004 -.0001 |
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Fe3+M2b .2818 .1643 .8602 .131 .78 .0002 .0007 .0053 -.0001 .0004 -.0001 |
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P1 .0060 .2136 .7424 .55 .0008 .0008 .0051 -.0001 .0004 -.0001 |
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P2 .2634 .1128 .3579 .54 .0009 .0006 .0052 .0001 .0003 .0000 |
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P3 .2360 .3998 .6190 .62 .0009 .0011 .0053 -.0001 .0006 -.0002 |
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O1 .3251 .0090 .8854 1.44 .0026 .0019 .0122 -.0004 .0015 .0017 |
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O2 .1228 .0976 .2860 .91 .0011 .0012 .0111 -.0003 .0011 -.0001 |
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O3 .2793 .1812 .1727 1.01 .0015 .0013 .0108 -.0002 .0013 .0005 |
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O4 .1711 .5051 .1148 1.14 .0019 .0011 .0116 -.0002 .0010 .0000 |
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O5 .4531 .2175 .0224 .97 .0016 .0015 .0079 -.0001 .0010 -.0009 |
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O6 .0455 .2883 -.0494 .89 .0013 .0017 .0079 .0001 .0011 -.0006 |
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O7 .3721 .4123 .6527 1.16 .0012 .0018 .0140 -.0001 .0023 -.0005 |
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O8 .4148 .3703 .2600 1.12 .0017 .0012 .0116 .0004 .0008 -.0008 |
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O9 .3233 .1718 .5901 1.14 .0021 .0013 .0089 -.0001 .0004 -.0011 |
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O10 .2337 .3314 .8151 1.26 .0017 .0031 .0057 -.0003 .0006 .0003 |
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O11 .1603 .3436 .3900 1.05 .0019 .0014 .0079 -.0006 .0006 -.0005 |
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O12 .1082 .1448 .7239 1.26 .0016 .0018 .0151 -.0001 .0020 -.0016 |
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