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Albite |
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Armbruster T, Burgi H B, Kunz M, Gnos E, Bronnimann S, Lienert C |
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American Mineralogist 75 (1990) 135-140 |
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Variation of displacement parameters in structure refinements of low albite |
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Note: this sample of feldspar is from Roc Tourne, France |
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_database_code_amcsd 0001285 |
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8.137 12.785 7.1583 94.26 116.60 87.71 C-1 |
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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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Al1o .00887 .16846 .20805 .0074 .0068 .0061 -.00086 .00310 .00045 |
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Si1m .00375 .82051 .23737 .00679 .00646 .00552 .00111 .00299 .00080 |
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Si2o .69162 .11021 .31466 .00612 .00547 .00729 -.00023 .00247 .00040 |
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Si2m .68129 .88190 .36076 .00602 .00554 .00744 .00063 .00280 .00090 |
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Na .26799 .98865 .1465 .0136 .0471 .0315 -.0050 .0084 -.0219 |
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OA1 .0049 .13103 .9666 .0164 .0122 .0074 -.0002 .0067 .0014 |
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OA2 .59176 .99756 .2804 .0074 .0056 .0119 .0003 .0033 .0033 |
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OBo .8123 .10966 .1901 .0117 .0130 .0162 -.0040 .0093 -.0017 |
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OBm .8200 .85101 .2587 .0134 .0179 .0216 .0046 .0129 .0020 |
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OCo .01288 .30238 .2706 .0103 .0076 .0150 -.0020 .0052 -.0009 |
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OCm .02329 .69368 .2291 .0101 .0071 .0145 .0022 .0034 .0012 |
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ODo .20780 .10896 .3890 .0120 .0129 .0080 .0024 .0013 .0015 |
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ODm .1840 .86817 .4362 .0140 .0140 .0084 -.0026 -.0002 -.0006 |
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Kinoshitalite |
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Gnos E, Armbruster T |
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American Mineralogist 85 (2000) 242-250 |
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Kinoshitalite, Ba(Mg)3(Al2Si2)O10(OH,F)2, a brittle mica from a manganese |
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deposit in Oman: Paragenesis and crystal chemistry |
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_database_code_amcsd 0002348 |
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5.316 9.230 10.197 90 100.06 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba .5 .5 .5 .94 1.521 .0210 .0190 .0179 0 .00359 0 |
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K .5 .5 .5 .06 1.521 .0210 .0190 .0179 0 .00359 0 |
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Mg1 0 .5 0 .92 .84 .0113 .0091 .0118 .0026 0 0 |
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Mn1 0 .5 0 .08 .84 .0113 .0091 .0118 .0026 0 0 |
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Mg2 0 .16937 0 .912 .88 .0117 .0097 .0120 0 .0021 0 |
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Mn2 0 .16937 0 .088 .88 .0117 .0097 .0120 0 .0021 0 |
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SiT .0750 .33339 -.27599 .5 .903 .0125 .0103 .0117 -.0002 .0026 .0002 |
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AlT .0750 .33339 -.27599 .5 .903 .0125 .0103 .0117 -.0002 .0026 .0002 |
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H4 .09 0 -.192 2.2 |
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O1 .0081 .5 .3395 1.49 .0243 .0148 .0156 0 -.0017 0 |
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O2 .1656 .2193 .3393 1.49 .0197 .0216 .0161 .0050 .0056 .0040 |
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O3 .1302 .3337 -.1106 1.16 .0147 .0123 .0172 -.0006 .0036 .0003 |
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O4 .1315 0 -.1025 1.14 .0143 .0149 .0142 0 .0023 0 |
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Vesuvianite |
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Armbruster T, Gnos E |
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American Mineralogist 85 (2000) 563-569 |
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P4/n and P4nc long-ranged ordering in low-temperature vesuvianites |
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Sample: from N'chwaning II mine, RSA |
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_database_code_amcsd 0002419 |
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15.487 15.487 11.764 90 90 90 P4nc |
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atom x y z occ Biso |
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Si1 .5 0 .0002 .66 |
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Si2a .56994 .20863 -.1293 .53 |
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Si2b -.70928 .06815 .1292 .53 |
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Si3a .40063 .33032 -.6340 .55 |
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Si3b .33580 .40100 .1360 .55 |
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Al1 .2502 .2482 .5008 .61 |
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Al2a .36212 .12802 -.6263 .57 |
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Al2b -.36191 .13014 .1269 .57 |
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Ca1 .5 0 .2507 .88 .80 |
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Na1 .5 0 .2507 .12 .80 |
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Ca2a .43951 .20435 .12082 .740 |
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Ca2b -.43939 .20737 -.62028 .740 |
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Ca3a -.56939 .35056 -.1111 1.137 |
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Ca3b .85241 .06941 .1081 1.137 |
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O1a .5320 .0779 .0860 .67 |
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O1b -.5320 .0777 -.5853 .67 |
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O2a .5927 .1325 -.2215 .73 |
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O2b -.6336 .0891 .2233 .73 |
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O3a .4720 .2003 -.0772 .67 |
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O3b -.4705 .2006 -.4229 .67 |
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O4a .6884 .1439 -.5280 .64 |
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O4b -.6866 .1422 .0299 .64 |
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O5a -.4208 .2368 .1776 .75 |
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O5b .4187 .2322 -.6783 .75 |
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O6a .5222 .3727 .0573 1.04 |
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O6b -.5209 .3647 -.5596 1.04 |
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O7a .1938 .0770 .1782 1.10 |
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O7b -.6939 -.5776 -.1785 1.10 |
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O8a .6603 .3110 -.5663 .68 |
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O8b -.6578 .3099 .0664 .68 |
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O9 .3953 .3939 .2524 .80 |
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O10b 0 0 .1336 1.20 |
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H10b 0 0 .220 2.37 |
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O10a 0 0 -.6373 1.20 |
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O11a .2553 .1866 -.6346 .64 |
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H11a .211 .191 -.706 2.37 |
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O11b -.2555 .1887 .1376 .64 |
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H11b -.259 .220 .201 2.37 |
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MnY'3a .5 .5 .0605 .852 .60 |
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CaX'4a .5 .5 .3522 .852 .97 |
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MgY'3b 0 0 -.048 .148 .39 |
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CaX'4b .5 .5 .148 .148 .98 |
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Vesuvianite |
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Armbruster T, Gnos E |
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American Mineralogist 85 (2000) 563-569 |
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P4/n and P4nc long-ranged ordering in low-temperature vesuvianites |
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Sample: from Asbestos Quebec, Canada |
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_database_code_amcsd 0002420 |
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15.531 15.531 11.817 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso |
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Si1a -.25 .25 0 .53 |
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Si1b -.25 .25 .5 .67 |
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Si2a -.0404 .3187 .1300 .55 |
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Si2b -.0417 .1801 .3727 .48 |
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Si3a .08662 .3490 -.1339 .56 |
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Si3b .0804 .15049 .6367 .53 |
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Al1a 0 0 0 .55 |
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Al1b -.5 0 .5 .48 |
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Al2a -.1135 .1201 .1254 .5 .62 |
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Mg2a -.1135 .1201 .1254 .5 .62 |
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Al2b -.3887 .1225 .3733 .51 |
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Ca1 -.25 .25 .2501 .88 .63 |
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Ca2a -.04524 .18824 -.11935 .64 |
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Ca2b .19023 -.04298 .62120 .65 |
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Ca3a .09914 .17886 .12047 1.02 |
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Ca3b -.39629 -.18512 -.39542 .98 |
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O1a -.2213 .1723 .0863 .61 |
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O1b -.2816 .1724 .4144 .70 |
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O2a -.1173 .3386 .2235 .62 |
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O2b -.1175 .1581 .2813 .79 |
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O3a -.0478 .2216 .0762 .66 |
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O3b -.0489 .2775 .4246 .68 |
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O4a -.0618 .3936 .0324 .66 |
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O4b -.0624 .1062 .4723 .66 |
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O5a -.0107 .3274 -.1768 .91 |
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O5b -.0178 .1682 .6801 .73 |
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O6a .1249 .2720 -.0570 1.02 |
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O6b .1146 .2284 .5621 .96 |
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O7a .0559 .3255 .1824 .91 |
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O7b .0556 .1708 .3266 .82 |
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O8a .0924 .4389 -.0647 .67 |
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O8b .0899 .0609 .5687 .76 |
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O9 .1484 .3585 -.2495 .77 |
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O10a .25 .25 .1265 .92 |
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O10b -.25 -.25 -.3579 1.3 |
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O11a -.0046 .0603 .1361 .84 |
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H11a -.018 .027 .203 2.37 |
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O11b -.4954 .0627 .3659 .81 |
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H11b -.528 .054 .312 2.37 |
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CaX'4a .25 .25 .6507 .73 |
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FeY'3a .25 .25 -.0329 .69 |
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CaX'4b .25 .25 -.149 .79 |
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FeX'3b .25 .25 .5388 .79 |
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|
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Vesuvianite |
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Armbruster T, Gnos E |
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American Mineralogist 85 (2000) 570-577 |
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Tetrahedral vacancies and cation ordering in low-temperature Mn-bearing |
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vesuvianites: Indication of a hydrogarnet-like substitution |
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Sample: NC14-2 |
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_database_code_amcsd 0002421 |
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15.571 15.571 11.789 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso |
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Si1a -.25 .25 0 .91 .55 |
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Si1b -.25 .25 .5 .83 .55 |
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Si2a -.0407 .3184 .1305 .908 .55 |
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Si2b -.0418 .1804 .3720 .992 .55 |
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Si3a .0875 .3483 -.1352 .55 |
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Si3b .0805 .1507 .6350 .55 |
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Al1a 0 0 0 .78 .51 |
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Mn1a 0 0 0 .22 .51 |
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Al1b -.5 0 .5 .92 .45 |
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Mn1b -.5 0 .5 .08 .45 |
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Al2a -.1111 .1177 .1249 .65 .54 |
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Mn2a -.1111 .1177 .1249 .35 .54 |
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Al2b -.3889 .1204 .3739 .87 .53 |
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Mn2b -.3889 .1204 .3739 .13 .53 |
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Ca1 -.25 .25 .2513 .68 |
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Ca2a -.0446 .1882 -.1202 .74 |
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Ca2b .1892 -.0419 .6219 .69 |
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Ca3a .0975 .1778 .1176 1.33 |
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Ca3b -.3984 -.1809 -.3906 1.13 |
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O1a -.2199 .1721 .0873 .63 |
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O1b -.2825 .1712 .4140 .96 |
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O2a -.1179 .3378 .2243 .65 |
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O2b -.1178 .1571 .2808 .90 |
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O3a -.0489 .2210 .0756 .90 |
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O3b -.0499 .2772 .4252 .58 |
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O4a -.0624 .3925 .0314 .89 |
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O4b -.0641 .1061 .4714 .84 |
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O5a -.0102 .3268 -.1760 .90 |
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O5b -.0167 .1685 .6800 1.04 |
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O6a .1231 .2712 -.0574 1.2 |
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O6b .1159 .2293 .5602 1.15 |
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O7a .0556 .3256 .1821 1.12 |
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O7b .0552 .1734 .3258 1.1 |
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O8a .0929 .4378 -.0655 .65 |
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O8b .0904 .0608 .5674 .85 |
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O9 .1489 .3582 -.2504 .82 |
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O10a .25 .25 .1332 1.9 |
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O10b -.25 -.25 -.3558 1.9 |
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O11a -.0059 .0607 .1367 .72 |
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O11b -.4943 .0634 .3635 .80 |
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CaX'4b .25 .25 -.1469 .253 .7 |
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MnY'3a .25 .25 .5470 .253 2.2 |
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CaX'4a .25 .25 .6470 .747 1.01 |
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MnY'3a .25 .25 -.0441 .747 1.17 |
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O12a .143 .292 .214 .06 .79 |
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O12b .161 .227 .293 .04 .79 |
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BT2 -.253 -.222 -.228 .12 .79 |
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|
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View JMOL 3-D Structure
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| |
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Lemmleinite-Ba |
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Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
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American Mineralogist 89 (2004) 1655-1666 |
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Origin of diffuse superstructure reflections in labuntsovite-group minerals |
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Sample A2 at T = -160 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003652 |
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14.2147 13.764 7.7574 90 116.653 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .25 .25 .5 1.068 .0323 .0052 .0103 .0063 .0160 .0034 |
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Ti2 0 .22676 .5 1.083 .0107 .0044 .0124 0 -.0070 0 |
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Si1 .20835 .11018 .80434 .318 .0040 .0038 .0036 -.0001 .0011 .0001 |
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Si2 .32098 .11115 .25107 .346 .0051 .0040 .0042 -.0004 .0022 -.0003 |
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O1 .08243 .11596 .6755 .53 .0047 .0065 .0073 .0003 .0013 .0009 |
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O2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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OH2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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O3 .42044 .18104 .3019 .65 .0078 .0077 .0104 -.0035 .0053 -.0035 |
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O4 .26639 .12413 .3916 .52 .0080 .0073 .0060 .0011 .0045 .0004 |
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O5 .3662 0 .2712 .51 .0067 .0045 .0083 0 .0034 0 |
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O6 .23232 .12784 .0282 .59 .0090 .0088 .0034 .0010 .0018 .0000 |
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O7 .2476 0 .7867 .45 .0060 .0038 .0075 0 .0032 0 |
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O8 .27432 .18389 .7404 .46 .0057 .0060 .0054 -.0004 .0022 .0012 |
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Ba(C) .08723 0 .34250 .453 .453 .0056 .0066 .0047 0 .0021 0 |
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Wat(C) .1098 0 .349 .493 1.5 |
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Mn(D) 0 0 .5 .493 .51 .0055 .0034 .0073 0 .0002 0 |
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K(B) .42068 0 .70446 .854 1.22 .0106 .0269 .0085 0 .0041 0 |
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Na(B) .4294 .0509 .731 .076 .7 |
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Na(A) .4134 .2629 .0116 .473 1.32 .0119 .0113 .029 -.0011 .0108 -.0032 |
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Wat1 -.0254 .1129 -.0059 .5 1.67 .021 .033 .011 -.013 .009 -.004 |
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Wat2 .4732 .1469 .0095 .5 1.35 .013 .023 .016 -.0019 .0069 .000 |
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|
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View JMOL 3-D Structure
|
| |
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Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
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Sample A2 at T = 22 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003653 |
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14.2446 13.7884 7.7798 90 116.709 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .25 .25 .5 1.291 .0359 .0075 .0135 .0061 .0181 .0033 |
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Ti2 0 .22749 .5 1.289 .0131 .0064 .0152 0 -.0063 0 |
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Si1 .20812 .11020 .80356 .493 .0060 .0060 .0057 -.0001 .0016 .0005 |
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Si2 .32038 .11124 .24992 .526 .0076 .0060 .0065 -.0008 .0033 -.0007 |
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O1 .08239 .11665 .6755 .79 .0069 .0094 .0111 .0001 .0018 .0019 |
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O2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002 |
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OH2 .10108 .22393 .3979 .5 .87 .0066 .0170 .0095 .0002 .0038 -.0002 |
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O3 .42024 .18042 .3028 .97 .0118 .0114 .0155 -.0054 .0076 -.0051 |
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O4 .26511 .12486 .3884 .82 .0137 .0102 .0104 .0007 .0081 -.0003 |
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O5 .3647 0 .2705 .86 .0117 .0060 .0160 0 .0071 0 |
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O6 .23313 .12821 .0271 .95 .0132 .0150 .0065 .0017 .0031 .0000 |
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O7 .2464 0 .7858 .80 .0102 .0059 .0152 0 .0063 0 |
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O8 .27392 .18286 .7384 .75 .0095 .0097 .0092 -.0014 .0041 .0015 |
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Ba(C) .08730 0 .34257 .453 .949 .0118 .0134 .0109 0 .0051 0 |
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Wat(C) .1094 0 .346 .493 2.7 |
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Mn(D) 0 0 .5 .493 .92 .0104 .0063 .0122 0 -.0004 0 |
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K(B) .42052 0 .7032 .854 2.66 .0234 .0580 .0187 0 .0086 0 |
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Na(B) .4304 .0503 .729 .076 1.3 |
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Na(A) .4122 .2627 .0098 .473 2.29 .0213 .0222 .046 -.0016 .0177 -.0047 |
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Wat1 -.0249 .1128 -.0047 .5 2.55 .031 .047 .022 -.014 .016 -.006 |
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Wat2 .4733 .1475 .0101 .5 2.34 .023 .040 .029 -.002 .013 -.002 |
|
|
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Sample B at T = 22 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003654 |
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14.237 13.768 7.767 90 116.83 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ti1 .25 .25 .5 1.08 .0301 .0058 .0116 .0054 .0153 .0027 |
|
Ti2 0 .22712 .5 1.113 .0115 .0046 .0137 0 -.0054 0 |
|
Si1 .20816 .10996 .80316 .478 .0063 .0050 .0062 -.0003 .0022 .0005 |
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Si2 .31987 .11131 .24992 .509 .0075 .0052 .0069 -.0007 .0034 -.0007 |
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O1 .08209 .11590 .6736 .80 .0072 .0091 .0114 .0003 .0018 .0026 |
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O2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
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OH2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
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O3 .4199 .18084 .3030 .93 .0122 .0102 .0149 -.0049 .0077 -.0045 |
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O4 .2652 .12522 .3893 .79 .0126 .0084 .0113 .0006 .0074 -.0005 |
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O5 .3645 0 .2714 .83 .0109 .0057 .0156 0 .0065 0 |
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O6 .2326 .1282 1.0265 .90 .0125 .0132 .0072 .0011 .0033 -.0003 |
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O7 .2474 0 .7868 .81 .0108 .0051 .0166 0 .0078 0 |
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O8 .27370 .18328 .7385 .75 .0095 .0094 .0097 -.0011 .0045 .0024 |
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Ba(C) .08538 0 .3423 .380 1.05 .0128 .0138 .0137 0 .0063 0 |
|
Wat(C) .1043 0 .347 .460 2.37 |
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Fe(D) 0 0 .5 .460 .91 .0095 .0049 .0130 0 -.0015 0 |
|
K(B) .41995 0 .7027 .89 2.35 .0231 .047 .0185 0 .0088 0 |
|
Na(B) .429 .042 .718 .07 .5 |
|
Na(A) .4133 .2624 .0103 .485 2.05 .021 .021 .040 .0001 .0169 -.0027 |
|
Wat1 -.0248 .1138 -.0061 2.47 .029 .043 .026 -.011 .016 -.005 |
|
Wat2 .4733 .1465 .0102 1.92 .019 .031 .024 -.002 .011 -.002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
|
American Mineralogist 89 (2004) 1655-1666 |
|
Origin of diffuse superstructure reflections in labuntsovite-group minerals |
|
Note: Predicted ordered structure |
|
Locality: Khibiny alkaline complex, Kola peninsula, Russia |
|
_database_code_amcsd 0003655 |
|
14.2446 13.7884 7.75 90 116.709 90 Cm |
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atom x y z |
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Ti1 .25 .25 .5 |
|
Ti2 0 .2267 .5 |
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Si1 .2084 .1102 .8043 |
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Si1' -.2084 .1102 -.8043 |
|
Si2 .3210 .1111 .2511 |
|
Si2' -.3210 .1111 -.2511 |
|
O1 .0824 .1160 .6755 |
|
O1' -.0824 .1160 -.6755 |
|
O2 .1012 .2230 .3922 |
|
OH2' -.1012 .2230 -.3922 |
|
O3 .4204 .1810 .3019 |
|
O3' -.4204 .1810 -.3019 |
|
O4 .26640 .1241 .3916 |
|
O4' -.26640 .1241 -.3916 |
|
O5 .3662 0 .2712 |
|
O5' -.3662 0 -.2712 |
|
O6 .2323 .1278 .0282 |
|
O6' -.2323 .1278 -.0282 |
|
O7 .2476 0 .7867 |
|
O7' -.2476 0 -.7867 |
|
O8 .2743 .1839 .7404 |
|
O8' -.2743 .1839 -.7404 |
|
Ba(C) .0872 0 .3425 |
|
K(B) .4207 0 .7045 |
|
K'(B) -.4207 0 -.7045 |
|
Na(A) -.4134 .2629 -.0012 |
|
Wat1 -.0254 .1129 -.0059 |
|
Wat2 .4732 .1469 .0095 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lemmleinite-Ba |
| |
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
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American Mineralogist 89 (2004) 1655-1666 |
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Origin of diffuse superstructure reflections in labuntsovite-group minerals |
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Note: Predicted ordered structure |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003656 |
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14.2446 13.7884 15.5 90 116.709 90 I2/m |
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atom x y z |
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Ti1 .25 .25 .5 |
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Ti2 0 .226788 .5 |
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Ti2' .5 .273212 .5 |
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Si1 .20840 -.11019 .65220 |
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Si1' .70840 .61019 .65220 |
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Si2 .17900 .38890 .62450 |
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Si2' .32100 .11110 .37550 |
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O1 -.08239 .11602 .41232 |
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O1' .58239 .61602 .58768 |
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O2 .60118 .27703 .44901 |
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OH2' .10118 .22297 .44901 |
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O3 -.07959 .31889 .40100 |
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O3' .42041 .18111 .40100 |
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O4 .23360 .37578 .55420 |
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O4' .26640 .12422 .44580 |
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O5 .13378 .5 .61440 |
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O5' .36622 0 .38560 |
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O6 .26770 .37210 .73589 |
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O6' .23230 .12790 .26411 |
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O7 .24768 0 .64336 |
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O7' .74768 .5 .64336 |
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O8 .77440 .68389 .62020 |
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O8' .27440 -.18389 .62020 |
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Ba(C) .08710 0 .42120 |
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WatC .39088 .5 .57539 |
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Mn(D) .5 .5 .5 |
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K(B) .42070 0 .60219 |
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K'(B) -.0793 .5 .60219 |
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Na(A) .41340 -.26291 .75580 |
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Wat1 .02540 .11281 .25149 |
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Wat2 .52682 -.14701 .74534 |
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Lemmleinite-Ba |
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Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
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American Mineralogist 89 (2004) 1655-1666 |
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Origin of diffuse superstructure reflections in labuntsovite-group minerals |
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Note: Predicted ordered structure |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003657 |
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14.2446 13.7884 15.5 90 116.709 90 C2/m |
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atom x y z |
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Ti1 .75 .75 0 |
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Ti1' .25 .25 .5 |
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Ti2 0 .27320 .5 |
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Ti2' 0 .27320 0 |
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Si1 .20840 .38980 .65220 |
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Si1' .20840 .38980 .15220 |
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Si2 .32100 .38890 .37550 |
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Si2' .17900 .11110 .12450 |
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O1 -.08239 .61598 .41230 |
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O1' .08239 .38402 .08770 |
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O2 .10121 .27701 .44901 |
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OH2' .10121 .27701 -.05099 |
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O3 .07962 .18111 .59901 |
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O3' .07962 .18111 .09901 |
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O4 .26638 .37582 .44584 |
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O4' .23362 .12418 .05416 |
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O5 .36622 .5 .38558 |
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O5' -.36622 .5 .11442 |
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O6 -.23230 .62790 .23588 |
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O6' .23230 .37210 .26412 |
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O7 .24773 .5 .64340 |
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O7' .24773 .5 .14340 |
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O8 .22561 .183890 .37978 |
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O8' -.22561 .816110 .12022 |
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Ba(C) .08710 .5 .42120 |
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Mn(D) 0 .5 0 |
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Wat(C) -.10908 .5 .07544 |
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K(B) .42070 .5 .60220 |
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K'(B) .57930 .5 .89780 |
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Na(A) .08660 .26290 .24419 |
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Wat1 -.02538 .61278 .24854 |
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Wat2 .02678 .14705 .74534 |
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Kanoite |
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Gnos E, Armbruster T, Nyfeler D |
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European Journal of Mineralogy 8 (1996) 251-261 |
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Kanoite, donpeacorite and tirodite: Mn-Mg-silicates from a |
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manganiferous quartzite in the United Arab Emirates |
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Sample: pyroxene |
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Locality: manganiferous quartzite in the United Arab Emirates |
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_database_code_amcsd 0006620 |
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9.725 8.876 5.263 90 108.53 90 P2_1/c |
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atom x y z occ Uiso |
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MgM1 .25052 .6543 .2339 .976 .0047 |
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MnM1 .25052 .6543 .2339 .024 .0047 |
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CaM2 .25369 .02375 .23236 .07 .0093 |
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MnM2 .25369 .02375 .23236 .775 .0093 |
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MgM2 .25369 .02375 .23236 .155 .0093 |
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SiA .04156 .34113 .2711 .0068 |
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SiB .54704 .83886 .2389 .0071 |
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O1A .8666 .33715 .1652 .0087 |
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O1B .3720 .8377 .1340 .0089 |
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O2A .1179 .5020 .3232 .0104 |
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O2B .6242 .9938 .3591 .0122 |
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O3A .1039 .2608 .5708 .0111 |
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O3B .6048 .7158 .4900 .0110 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ferrohogbomite-2N2S |
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Hejny C, Gnos E, Grobety B, Armbruster T |
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European Journal of Mineralogy 14 (2002) 957-967 |
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Crystal chemistry of the polysome ferrohogbomite-2N2S, |
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a long-known but newly defined mineral species |
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_database_code_amcsd 0006950 |
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5.712 5.712 18.317 90 90 120 P6_3mc |
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atom x y z occ Uiso |
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AlM1 .6711 .8355 .9410 .0071 |
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FeM2 0 0 .7970 .60 .0071 |
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TiM2 0 0 .7970 .40 .0071 |
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MgT3 2/3 1/3 .8506 .57 .0023 |
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FeT3 2/3 1/3 .8506 .43 .0023 |
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AlM4 .0055 .5028 .6965 .0044 |
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AlM5 2/3 1/3 .5660 .0062 |
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FeT6 1/3 -1/3 .5361 .89 .0081 |
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MgT6 1/3 -1/3 .5361 .11 .0081 |
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FeT7 0 0 .6041 .68 .0037 |
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MgT7 0 0 .6041 .32 .0037 |
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O1 0 0 .9956 .009 |
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O2 .038 .519 .9983 .006 |
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OH3 1/3 -1/3 .8844 .004 |
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O4 .8475 .695 .8811 .011 |
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O5 -1/3 -2/3 .7472 .010 |
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O6 .6626 .8313 .7489 .006 |
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O7 1/3 2/3 .6416 .011 |
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O8 .8114 .6228 .6328 .011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Tweddillite |
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Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
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Mineralogical Magazine 66 (2002) 137-150 |
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Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
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from the Kalahari manganese fields, South Africa |
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Locality: Kalahari manganese fields, South Africa |
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_database_code_amcsd 0014561 |
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8.934 5.718 10.325 90 114.54 90 P2_1/m |
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atom x y z occ Biso |
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CaA1 .7646 .75 .1575 .92 |
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SrA2 .5941 .75 .42163 1.03 |
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AlM1 0 0 0 .43 .64 |
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Mn3+M1 0 0 0 .48 .64 |
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Fe3+M1 0 0 0 .09 .64 |
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AlM2 0 0 .5 .66 |
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Mn3+M3 .2954 .25 .2181 5/6 .90 |
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Fe3+M3 .2954 .25 .2181 1/6 .90 |
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Si1 .3417 .75 .0411 .95 |
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Si2 .6877 .25 .2787 .85 |
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Si3 .1803 .75 .3150 .86 |
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O1 .2389 .9915 .0386 1.42 |
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O2 .2984 .9786 .3480 1.14 |
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O3 .7967 .0160 .3433 1.17 |
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O4 .0600 .25 .1312 .9 |
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O5 .0369 .75 .1479 1.0 |
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O6 .0661 .75 .4061 1.0 |
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O7 .5174 .75 .1691 1.4 |
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O8 .5277 .25 .3110 1.0 |
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O9 .6323 .25 .1063 1.8 |
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O10 .0815 .25 .4293 .9 |
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H10 .06 .25 .339 3.95 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Manganvesuvianite |
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Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
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Mineralogical Magazine 66 (2002) 137-150 |
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Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
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from the Kalahari manganese fields, South Africa |
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Locality: Kalahari manganese fields, South Africa |
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_database_code_amcsd 0014562 |
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15.575 15.575 11.824 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso |
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CaX1 -.25 .25 .2504 .81 |
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CaX2A .18951 -.04395 .62112 .84 |
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CaX2B -.04570 .18816 -.12041 .81 |
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CaX3A .09891 .17897 .11669 1.35 |
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CaX3B -.39895 -.18214 -.39052 1.27 |
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MnY2A 0 0 0 .10 .69 |
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AlY2A 0 0 0 .90 .69 |
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MnY2B -.5 0 .5 .05 .69 |
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AlY2B -.5 0 .5 .95 .69 |
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MnY3A -.11226 .11962 .12497 .19 .73 |
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AlY3A -.11226 .11962 .12497 .81 .73 |
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MnY3B -.38839 .12156 .37384 .16 .74 |
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AlY3B -.38839 .12156 .37384 .84 .74 |
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CaX4B .25 .25 -.1469 .324 1.1 |
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MnY1B .25 .25 .5428 .324 .92 |
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CaX4A .25 .25 .6475 .676 .95 |
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MnY1A .25 .25 -.0454 .676 .81 |
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SiZ1A -.25 .25 0 .734 |
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SiZ1B -.25 .25 .5 .734 |
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SiZ2A -.04035 .31890 .1292 .734 |
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SiZ2B -.04115 .18017 .3719 .734 |
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SiZ3A .08686 .34911 -.1352 .734 |
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SiZ3B .08199 .15100 .6357 .734 |
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O1A -.2212 .1725 .0858 .86 |
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O1B -.2808 .1724 .4148 .84 |
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O2A -.1174 .3385 .2212 .98 |
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O2B -.1177 .1588 .2803 .90 |
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O3A -.0470 .2219 .0751 .94 |
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O3B -.0478 .2767 .4253 .80 |
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O4A -.0614 .3934 .0321 1.01 |
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O4B -.0620 .1059 .4711 .88 |
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O5A -.0104 .3272 -.1771 1.16 |
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O5B -.0150 .1701 .6797 1.08 |
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O6A .1256 .2728 -.0572 1.37 |
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O6B .1181 .2285 .5598 1.34 |
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O7A .0561 .3262 .1805 1.24 |
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O7B .0554 .1722 .3232 1.06 |
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O8A .0928 .4386 -.0660 .84 |
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O8B .0909 .0610 .5678 .95 |
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O9 .1479 .3562 -.2496 1.09 |
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O10A .25 .25 .1344 1.34 |
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O10B -.25 -.25 -.3648 1.27 |
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OH11A -.0048 .0600 .1367 .95 |
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OH11B -.4960 .0626 .3645 1.02 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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