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Vonbezingite |
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Dai Y S, Harlow G E |
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American Mineralogist 77 (1992) 1292-1300 |
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Description and crystal structure of vonbezingite, a new Ca-Cu-SO4-H2O mineral |
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from the Kalahari manganese field, South Africa |
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_database_code_amcsd 0001543 |
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15.122 14.358 22.063 90 108.68 90 P2_1/c |
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atom x y z |
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Cu1A .2556 .8786 .5025 .0134 |
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Cu1B .7555 .6251 .5036 .0125 |
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Cu2A .1928 .5400 .7470 .0149 |
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Cu2B .8221 .9648 .2536 .0161 |
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Cu2C .6934 .7920 .7475 .0118 |
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Cu2D .3231 .7189 .2541 .0106 |
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Ca1A .6622 .6922 .6079 .016 |
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Ca1B .3509 .8120 .3967 .015 |
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Ca1C .1581 .9379 .6089 .019 |
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Ca1D -.1550 .5582 .3942 .019 |
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Ca2A .4481 .8632 .6459 .018 |
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Ca2B .5557 .8622 .8550 .017 |
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Ca2C -.0515 .8855 .1466 .017 |
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Ca2D .0558 .8886 .3552 .017 |
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Ca3A .2310 .6913 .6128 .016 |
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Ca3B .7792 .8049 .3868 .013 |
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Ca3C .7284 .9438 .6113 .022 |
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Ca3D .2713 .5594 .3861 .022 |
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S1A .9050 .9282 .5335 .010 |
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S1B .1005 .5740 .4643 .011 |
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S1C .4048 .6764 .5334 .011 |
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S1D .6013 .8201 .4677 .010 |
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S2A .4916 .0145 .7506 .005 |
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S2B .0029 .7355 .2522 .018 |
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O1A .7505 .8140 .6810 .028 |
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O1B .2664 .6918 .3209 .032 |
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O1C .7708 .9344 .3218 .040 |
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O1D .2399 .5611 .6768 .047 |
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O2A .3335 .9401 .4635 .030 |
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O2B .6748 .5642 .5417 .031 |
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O2C .1736 .8062 .5393 .041 |
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O2D .8368 .6938 .4647 .039 |
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O3A .5832 .7619 .6776 .031 |
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O3B .4310 .7563 .3239 .041 |
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O3C .0658 .9953 .6761 .034 |
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O3D -.0744 .4884 .3213 .038 |
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O4A .2051 .8210 .4183 .035 |
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O4B .8079 .6869 .5875 .035 |
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O4C .3078 .9381 .5861 .039 |
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O4D -.3006 .5676 .4202 .037 |
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O5A .3049 .9366 .3172 .035 |
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O5B .7095 .5665 .6852 .039 |
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O5C .2089 .8095 .6820 .032 |
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O5D .8065 .6837 .3205 .036 |
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O6A .8660 .0085 .6901 .049 |
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O6B .1255 .5048 .3117 .046 |
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O6C .3702 .7443 .6835 .025 |
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O6D .6411 .7428 .3155 .026 |
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O7A .4620 .5535 .4158 .049 |
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O7B .4725 .0609 .4232 .032 |
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O7C .0346 .696 .5881 .056 |
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O7D .9664 .8010 .4075 .041 |
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O8A .9964 .8810 .5507 .054 |
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O8B .0072 .6183 .4434 .054 |
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O8C .5103 .8729 .4492 .033 |
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O8D .4986 .6317 .5581 .031 |
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O9A .8462 .8917 .5666 .036 |
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O9B .1607 .6150 .4346 .039 |
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O9C .6644 .867 .4367 .042 |
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O9D .3381 .6247 .5586 .033 |
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O10A .8647 .9228 .4601 .033 |
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O10B .1358 .5800 .5384 .036 |
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O10C .6463 .8250 .5351 .036 |
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O10D .3713 .6680 .4658 .040 |
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O11A .0838 .9709 .4516 .027 |
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O11B .0918 .4732 .4485 .026 |
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O11C .4114 .774 .5508 .058 |
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O11D .5825 .7238 .4489 .057 |
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O12A .4419 .5752 .2512 .042 |
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O12B .9447 .8195 .2509 .042 |
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O13A .5162 .0170 .6920 .050 |
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O13B .0258 .7349 .1923 .053 |
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O14A .0863 .7420 .3080 .053 |
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O14B .4257 .5141 .6923 .046 |
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O15A .5678 .9065 .2464 .052 |
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O15B .9506 .8496 .7556 .064 |
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Poldervaartite |
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Dai Y S, Harlow G E, McGhie A R |
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American Mineralogist 78 (1993) 1082-1087 |
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Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the |
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Kalahari manganese field, South Africa: Crystal structure and description |
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_database_code_amcsd 0001615 |
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9.398 9.139 10.535 90 90 90 Pbca |
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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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Ca1 .15406 .49326 .39021 .0090 .0101 .0084 -.0004 .0007 .0003 |
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Ca2 .51266 .33390 .43048 .67 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
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Mn .51266 .33390 .43048 .33 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
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Si .32973 .21515 .65939 .0076 .0075 .0069 .0002 -.0002 -.0004 |
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Oh1 .2518 .3502 .5735 .028 .0104 .0140 .0046 -.0084 -.0005 |
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O2 -.0559 .3590 .4368 .0092 .0145 .0117 -.0019 -.0002 -.0042 |
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O3 .1020 .7101 .2829 .0160 .0134 .0087 .0022 .0045 .0043 |
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Oh4 .3965 .5492 .3980 .0118 .019 .016 -.0012 -.0002 .0063 |
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O5 .2019 .3986 .1893 .0146 .0145 .0129 .0044 .0018 -.0016 |
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H1 .257 .074 .117 .03 |
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H2 -.084 .588 .173 .03 |
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Minehillite |
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Dai Y S, Post J E, Appleman D E |
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American Mineralogist 80 (1995) 173-178 |
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Crystal structure of minehillite: Twinning and structural relationships to |
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reyerite |
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_database_code_amcsd 0001716 |
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9.777 9.777 33.293 90 90 120 P-3c1 |
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atom x y z occ Uiso |
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K 0 0 .25 .948 .0231 |
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Zn 0 .49431 .25 .802 .0098 |
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Al 1/3 2/3 .25112 .0080 |
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Ca1 1/3 2/3 .11288 .0098 |
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Ca2 .91036 .38794 .11169 .0100 |
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Ca3 .75653 -.05187 .09618 .0113 |
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Si1 2/3 1/3 .03155 .0074 |
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Si2 .7581 .1246 .18744 .0076 |
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Si3 .8727 .2386 .31193 .0071 |
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Si4 .8934 .2080 .02173 .0079 |
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Oh1 0 0 .1229 .015 |
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O2 2/3 1/3 .0793 .0107 |
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Oh3 .1000 .6077 .07794 .0121 |
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O4 .7246 -.0516 .19881 .0129 |
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O5 .5871 -.2682 .14137 .0122 |
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O6 .1729 .5100 .21832 .0104 |
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O7 .2949 .0565 .19824 .0155 |
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O8 .5135 .3478 .21654 .0106 |
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O9 .4103 .2746 .14053 .0118 |
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O10 .2600 .2371 .01397 .0134 |
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O11 .5035 .1897 .01354 .0135 |
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O12 .2654 .0464 .06664 .0136 |
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H1 0 0 .141 .02 |
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H2 .115 .610 .059 .02 |
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|
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Hillebrandite |
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Dai Y S, Post J E |
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American Mineralogist 80 (1995) 841-844 |
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Crystal structure of hillebrandite: A natural analogue of calcium silicate |
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hydrate (CSH) phases in Portland cement |
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_database_code_amcsd 0001745 |
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3.6389 16.311 11.829 90 90 90 Cmc2_1 |
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atom x y z occ Uiso |
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Ca1 0 .2164 .064 .0137 |
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Ca2 .5 .3992 -.0479 .0114 |
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Ca3 .5 .0490 .1888 .0118 |
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Si1 .430 .0863 -.1019 .5 .011 |
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Si2 .5 .3727 .2134 .5 .008 |
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OH1 0 .3091 -.0812 .014 |
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O2 .5 .1259 .0198 .013 |
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O3 .5 .4637 .138 .024 |
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O4 .5 .2964 .1251 .019 |
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O5 0 .4890 -.1123 .010 |
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OH6 0 .1370 .2361 .013 |
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O7 .364 .1328 -.205 .5 .014 |
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O8 0 .110 -.127 .5 .014 |
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| Download AMC data (View Text File)
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Vanadinite |
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Dai Y S, Hughes J M |
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The Canadian Mineralogist 27 (1989) 189-192 |
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Crystal-structure refinements of vanadinite and pyromorphite |
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_database_code_amcsd 0005225 |
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10.3174 10.3174 7.3378 90 90 120 P6_3/m |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 1/3 2/3 .0077 .0041 .0041 .0025 .00205 0 0 |
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Pb2 .25484 .01209 .25 .0025 .0038 .0073 .00155 0 0 |
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V .4097 .3840 .25 .0024 .0023 .0007 .00125 0 0 |
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O1 .333 .497 .25 .0032 |
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O2 .599 .485 .25 .0039 |
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O3 .359 .269 .065 .0060 |
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Cl 0 0 0 .0048 |
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| Download AMC data (View Text File)
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Pyromorphite |
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Dai Y S, Hughes J M |
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The Canadian Mineralogist 27 (1989) 189-192 |
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Crystal-structure refinements of vanadinite and pyromorphite |
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_database_code_amcsd 0005226 |
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9.9764 9.9764 7.3511 90 90 120 P6_3/m |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 1/3 2/3 .0048 .0032 .0032 .0005 .0016 0 0 |
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Pb2 .25429 .00536 .25 .0021 .0016 .0064 .0008 0 0 |
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P .4104 .3787 .25 .0007 .0004 .0031 -.00005 0 0 |
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O1 .343 .490 .25 .0032 |
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O2 .590 .475 .25 .0022 |
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O3 .359 .274 .084 .0046 |
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Cl 0 0 0 .0038 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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