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Malayaite |
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Higgins J B, Ribbe P H |
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American Mineralogist 62 (1977) 801-806 |
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The structure of malayaite, CaSnOSiO4, a tin analog of titanite |
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Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England |
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_database_code_amcsd 0000586 |
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7.149 8.906 6.667 90 113.3 90 *A2/a |
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0 -.25 -.25 |
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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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Ca .25 .9117 .75 .0136 .0008 .0044 0 -.0015 0 |
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Sn .5 .75 .25 .95 .0021 .0014 .0037 -.0002 .0008 -.0001 |
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Ti .5 .75 .25 .05 .0021 .0014 .0037 -.0002 .0008 -.0001 |
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Si .75 .9335 .75 .0032 .0002 .0029 0 .0010 0 |
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O1 .75 .8367 .25 .0028 .0009 .0075 0 .0025 0 |
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O2 .9125 .8171 .9255 .0034 .0024 .0038 .0007 .0007 .0004 |
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O3 .3724 .9614 .1414 .0039 .0018 .0046 .0010 .0026 -.0002 |
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Yoderite |
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Higgins J B, Ribbe P H, Nakajima Y |
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American Mineralogist 67 (1982) 76-84 |
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An ordering model for the commensurate antiphase structure of yoderite |
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Ordered, T = 20 deg C |
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Note: the sample is from Mautia Hill, Tanzania |
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_database_code_amcsd 0000855 |
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8.022 5.816 7.250 90 104.9 90 P2_1/m |
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atom x y z occ Biso |
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Si1 .0637 .25 .7984 0.46 |
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Si2 .3396 .75 .8024 0.61 |
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Al1 .2952 .0051 .1776 .75 0.56 |
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Mg1 .2952 .0051 .1776 .25 0.56 |
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Al2 .3888 .25 .6301 .50 0.72 |
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Mg2 .3888 .25 .6301 .50 0.72 |
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Al3 .0557 .25 .3539 .84 0.75 |
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Fe .0557 .25 .3539 .16 0.75 |
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O1 .0573 .9801 .2147 0.69 |
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O2 .4525 .9760 .7812 1.33 |
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O3 .1478 .25 .6145 0.91 |
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O4 .2206 .25 .9928 0.72 |
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O5 .2979 .25 .3615 0.93 |
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O6 .1652 .75 .6322 0.81 |
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O7 .2830 .75 .0045 1.06 |
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O8 .3597 .75 .3643 1.16 |
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Yoderite |
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Higgins J B, Ribbe P H, Nakajima Y |
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American Mineralogist 67 (1982) 76-84 |
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An ordering model for the commensurate antiphase structure of yoderite |
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Disordered after heating to 800 C, at T = 20 C |
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Note: the sample is from Mautia Hill, Tanzania |
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_database_code_amcsd 0000856 |
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8.027 5.805 7.252 90 104.9 90 P2_1/m |
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atom x y z occ Biso |
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Si1 .0634 .25 .7987 0.39 |
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Si2 .3393 .75 .8014 0.56 |
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Al1 .2948 .0049 .1780 .75 0.58 |
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Mg1 .2948 .0049 .1780 .25 0.58 |
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Al2 .3889 .25 .6299 .50 0.59 |
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Mg2 .3889 .25 .6299 .50 0.59 |
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Al3 .0559 .25 .3543 .84 0.47 |
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Fe .0559 .25 .3543 .16 0.47 |
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O1 .0562 .9804 .2156 0.60 |
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O2 .4532 .9764 .7785 1.14 |
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O3 .1489 .25 .6166 0.80 |
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O4 .2207 .25 .9930 0.74 |
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O5 .2995 .25 .3622 0.78 |
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O6 .1645 .75 .6299 0.72 |
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O7 .2842 .75 .0040 0.93 |
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O8 .3623 .75 .3631 1.04 |
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Montesommaite |
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Rouse R C, Dunn P J, Grice J D, Schlenker J L, Higgins J B |
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American Mineralogist 75 (1990) 1415-1420 |
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Montesommaite, (K,Na)9Al9Si23O64.10H2O, a new zeolite related to merlinoite and |
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the gismondine group |
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_database_code_amcsd 0001338 |
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7.141 7.141 17.307 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ Uiso |
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K 0 0 .5 .025 |
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Al 0 .463 .090 .29 .005 |
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Si 0 .463 .090 .71 .005 |
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O1 0 .25 .116 .015 |
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O2 .1857 .436 7/8 .015 |
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O3 0 0 0 .015 |
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Wat 0 .25 .342 .25 .015 |
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Sapphirine |
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Higgins J B, Ribbe P H |
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Contributions to Mineralogy and Petrology 68 (1979) 357-368 |
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A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine |
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Locality: Bekily, Madagasgar |
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Note: Data from neutron, known as sapphirine II |
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_database_code_amcsd 0012321 |
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11.286 14.438 9.957 90 125.4 90 P2_1/a |
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atom x y z occ Biso |
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Mg1 .0087 .1583 .1374 .04 .45 |
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Mg2 -.0080 .1561 .6140 .06 .46 |
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Mg3 -.0027 .0563 .3708 .56 .52 |
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Mg4 .0010 .0572 .8719 .4 |
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Mg5 .0084 .3664 .1430 .47 |
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Mg6 -.0075 .3649 .6096 .63 |
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Mg7 -.0002 .2571 .8752 .0 .68 |
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Mg8 .2501 .2497 .8744 .12 .60 |
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Al1 .0087 .1583 .1374 .96 .45 |
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Al2 -.0080 .1561 .6140 .94 .46 |
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Al3 -.0027 .0563 .3708 .44 .52 |
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Al4 .0010 .0572 .8719 .0 .48 |
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Al5 .0084 .3664 .1430 .0 .47 |
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Al6 -.0075 .3649 .6096 .0 .63 |
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Al7 -.0002 .2571 .8752 .68 |
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Al8 .2501 .2497 .8744 .88 .60 |
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Al1 .1990 .5551 .2457 .92 .59 |
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Al2 .2030 .5530 .7556 .01 .86 |
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Al3 .2012 .4494 .5070 .51 .63 |
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Al4 .1977 .4410 .0044 .92 .40 |
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Al5 .1872 .7551 .7548 .46 |
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Al6 .1873 .2460 .5049 .73 .63 |
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Si1 .1990 .5551 .2457 .08 .59 |
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Si2 .2030 .5530 .7556 .99 .86 |
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Si3 .2012 .4494 .5070 .49 .63 |
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Si4 .1977 .4410 .0044 .08 .40 |
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Si5 .1872 .7551 .7548 .0 .46 |
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Si6 .1873 .2460 .5049 .27 .63 |
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O1 .1215 .2548 .1199 .28 |
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O2 .1287 .2514 .6330 .35 |
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O3 .1196 .0580 .1267 .36 |
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O4 .1124 .0568 .6191 .64 |
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O5 .1138 .1570 .3651 .89 |
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O6 .1052 .1675 .8468 .68 |
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O7 .1107 -.0514 .3738 .84 |
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O8 .1090 -.0576 .8682 .83 |
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O9 .3729 .2490 .1142 .86 |
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O10 .3777 .2455 .6288 .96 |
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O11 .3586 .0402 .1254 .70 |
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O12 .3661 .0419 .6269 .66 |
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O13 .3870 .3439 .3864 .65 |
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O14 .3932 .3333 .8999 .59 |
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O15 .3647 .1486 .3525 .58 |
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O16 .3740 .1550 .8762 .45 |
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O17 .1390 .4564 .1240 .72 |
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O18 .1444 .4626 .6304 .83 |
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O19 .1339 .3495 .3975 .82 |
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O20 .1247 .3446 .8711 .65 |
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|
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Sapphirine |
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Higgins J B, Ribbe P H |
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Contributions to Mineralogy and Petrology 68 (1979) 357-368 |
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A neutron and x-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering monoclinic sapphirine |
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Locality: Bekily, Madagasgar |
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Note: Data from x-ray diffraction, known as sapphirine II |
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_database_code_amcsd 0012322 |
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11.286 14.438 9.957 90 125.4 90 P2_1/a |
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atom x y z occ Biso |
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Mg1 .0076 .1584 .1369 .04 .46 |
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Mg2 -.0088 .1563 .6134 .06 .52 |
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Mg3 -.0060 .0566 .3724 .56 .29 |
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Mg4 -.0026 .0575 .8732 .46 |
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Mg5 .0086 .3665 .1426 .38 |
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Mg6 -.0083 .3651 .6079 .41 |
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Mg7 .0001 .2568 .8754 .0 .49 |
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Mg8 .2505 .2496 .8752 .12 .48 |
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Al1 .0076 .1584 .1369 .96 .46 |
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Al2 -.0088 .1563 .6134 .94 .52 |
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Al3 -.0060 .0566 .3724 .44 .29 |
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Al4 -.0026 .0575 .8732 .0 .46 |
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Al5 .0086 .3665 .1426 .0 .38 |
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Al6 -.0083 .3651 .6079 .0 .41 |
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Al7 .0001 .2568 .8754 .49 |
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Al8 .2505 .2496 .8752 .88 .48 |
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Al1 .1977 .5550 .2470 .92 .60 |
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Al2 .2021 .5528 .7571 .01 .67 |
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Al3 .2020 .4498 .5054 .51 .50 |
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Al4 .1988 .4413 .0028 .92 .42 |
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Al5 .1880 .7552 .7554 .43 |
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Al6 .1875 .2459 .5046 .73 .48 |
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Si1 .1977 .5550 .2470 .08 .60 |
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Si2 .2021 .5528 .7571 .99 .67 |
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Si3 .2020 .4498 .5054 .49 .50 |
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Si4 .1988 .4413 .0028 .08 .42 |
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Si5 .1880 .7552 .7554 .0 .43 |
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Si6 .1875 .2459 .5046 .27 .48 |
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O1 .1222 .2555 .1197 .38 |
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O2 .1297 .2519 .6334 .49 |
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O3 .1218 .0588 .1295 .31 |
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O4 .1148 .0573 .6227 .77 |
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O5 .1130 .1571 .3639 .104 |
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O6 .1041 .1682 .8448 .65 |
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O7 .1080 -.0512 .3707 .91 |
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O8 .1056 -.0580 .8645 .96 |
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O9 .3735 .2492 .1136 .92 |
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O10 .3784 .2458 .6286 .110 |
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O11 .3560 .0407 .1234 .47 |
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O12 .3633 .0424 .6245 .52 |
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O13 .3866 .3433 .3855 .71 |
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O14 .3932 .3322 .8997 .53 |
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O15 .3647 .1479 .3532 .65 |
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O16 .3743 .1552 .8777 .56 |
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O17 .1366 .4576 .1216 .90 |
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O18 .1422 .4641 .6281 .106 |
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O19 .1341 .3491 .3987 .73 |
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O20 .1250 .3439 .8714 .65 |
|
|
| 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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