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Turtmannite |
| |
Brugger J, Armbruster T, Meisser N, Hejny C, Grobety B |
 |
American Mineralogist 86 (2001) 1494-1505 |
|
Description and crystal structure of turtmannite, a new mineral with a |
|
68 Angstrom period related to mcgovernite |
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Note: z-coordinate of Mn12 has been modified |
|
_database_code_amcsd 0002747 |
|
8.259 8.259 204.3 90 90 120 R-3c |
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atom x y z occ Uiso |
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Mg1 .1412 .4234 .00010 .74 .014 |
|
Mn1 .1412 .4234 .00010 .26 .014 |
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Mn2 0 0 .01010 .022 |
|
Mg3 .471 .100 .01450 .48 .006 |
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V4 1/3 2/3 .01440 .89 .015 |
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As4 1/3 2/3 .01440 .11 .015 |
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Mn5 .2071 .2585 .02374 .0191 |
|
As6 2/3 1/3 .02396 .26 .015 |
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Mn6 .897 .379 .02351 .152 .01 |
|
Mg7 1/3 2/3 .03491 .78 .014 |
|
Mn7 1/3 2/3 .03491 .22 .014 |
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Mn8 .9039 .3545 .03505 .848 .0173 |
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As9 0 0 .03833 .51 .013 |
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V9 0 0 .03833 .49 .013 |
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Mn10 .1189 .4158 .04864 .0158 |
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Si11 2/3 1/3 .04935 .76 .016 |
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As11 2/3 1/3 .04935 .24 .016 |
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Mn12 0 0 .05965 .035 |
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Mn13 .4217 .3136 .06009 .0153 |
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Si14 1/3 2/3 .06192 .012 |
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Mn15 .1072 .4013 .07179 .0147 |
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Si16 2/3 1/3 .07321 .011 |
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Mn17 -.0746 -.4079 1/12 .0161 |
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V18 0 0 .08057 .012 |
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O1 .481 .096 .00498 .022 |
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O2 1/3 2/3 .00573 .021 |
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O3 .052 .799 .00564 .028 |
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O4 .221 .045 .01779 .023 |
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O5 .385 .494 .01705 .030 |
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O6 2/3 1/3 .0171 .60 .030 |
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O7 .6987 .149 .02909 .023 |
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O8 .561 .709 .02922 .018 |
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O9 0 0 .02997 .011 |
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O10 .959 .170 .04116 .016 |
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O11 .112 .607 .04151 .022 |
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O12 2/3 1/3 .04129 .013 |
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O13 .637 .498 .05276 .015 |
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O14 .184 .233 .05346 .015 |
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O15 1/3 2/3 .05379 .019 |
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O16 2/3 1/3 .06513 .010 |
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O17 .369 .505 .06507 .010 |
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O18 -.162 -.236 .06573 .013 |
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O19 .159 .210 .07771 .016 |
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O20 .872 .392 .07631 .013 |
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O21 0 0 .08860 .015 |
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| |
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Magnesiohogbomite-6N6S |
| |
Hejny C, Armbruster T |
|
American Mineralogist 87 (2002) 277-292 |
|
Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T, and 24R polysomes |
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Sample: 24R |
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_database_code_amcsd 0002753 |
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5.7145 5.7145 55.056 90 90 120 R-3m |
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atom x y z occ Uiso |
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Al1 0 .5 0 .0070 |
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Ti2 2/3 1/3 .04763 .78 .0043 |
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Fe2 2/3 1/3 .04763 .17 .0043 |
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Mg2 2/3 1/3 .04763 .05 .0043 |
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Mg3 0 0 .03051 .83 .0051 |
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Fe3 0 0 .03051 .17 .0051 |
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Al4 .16818 .3364 .08176 .0049 |
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Al5 0 0 .12479 .0049 |
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Mg6 1/3 -1/3 .13483 .83 .0051 |
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Fe6 1/3 -1/3 .13483 .17 .0051 |
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Mg7 -1/3 1/3 .11271 .79 .0051 |
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Fe7 -1/3 1/3 .11271 .21 .0051 |
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Al8 -1/6 1/6 1/6 .0049 |
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O1 .8227 .1773 .02020 .0108 |
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O2 1/3 2/3 .01818 .0084 |
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O3 .4995 .5005 .06376 .0089 |
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O4 0 0 .06397 .0088 |
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O5 -.1487 .1487 .10311 .0092 |
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O6 1/3 2/3 .09942 .0071 |
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O7 .1483 -.7034 .14714 .0061 |
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O8 -1/3 1/3 .14788 .0070 |
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H 1/3 2/3 .0335 .05 |
|
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|
| |
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Magnesiohogbomite-2N3S |
| |
Hejny C, Armbruster T |
|
American Mineralogist 87 (2002) 277-292 |
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Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes |
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Note: Signs of x,y-coordinates of Fe7/Mg7 changed. |
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Sample: 10T |
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_database_code_amcsd 0002754 |
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5.722 5.722 23.026 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Al1 0 0 0 .0102 |
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Fe2 1/3 -1/3 -.02563 .77 .0073 |
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Mg2 1/3 -1/3 -.02563 .23 .0073 |
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Al3 .3384 .1692 -.10125 .0096 |
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Fe4 1/3 -1/3 -.1736 .67 .0053 |
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Mg4 1/3 -1/3 -.1736 .33 .0053 |
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Ti5 -1/3 -2/3 -.21608 .50 .0073 |
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Fe5 -1/3 -2/3 -.21608 .45 .0073 |
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Mg5 -1/3 -2/3 -.21608 .05 .0073 |
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Al6 .1646 .3291 -.29653 .0059 |
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Fe7 1/3 2/3 .37083 .43 .0071 |
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Mg7 1/3 2/3 .37083 .57 .0071 |
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Al8 -1/3 -2/3 .3992 .0080 |
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Fe9 0 0 .42401 .57 .0082 |
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Mg9 0 0 .42401 .43 .0082 |
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Al10 0 1/2 1/2 .0079 |
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O1 -.2965 -.1483 -.0535 .0089 |
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O2 -1/3 -2/3 -.0587 .011 |
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O3 .5114 -.5114 -.1488 .0122 |
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O4 0 0 .1443 .011 |
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O5 -.1642 .1642 -.2541 .0097 |
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O6 1/3 -1/3 -.2538 .014 |
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O7 .4809 -.4809 -.3472 .0104 |
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O8 0 0 -.3392 .009 |
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O9 -.1858 .1858 .4529 .0093 |
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O10 1/3 -1/3 .4557 .007 |
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H 0 0 .181 .08 |
|
|
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|
| |
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Hogbomite |
| |
Hejny C, Armbruster T |
|
American Mineralogist 87 (2002) 277-292 |
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Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes |
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Note: Data represents a model, not experiment. |
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Sample: polytype 12H |
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_database_code_amcsd 0002755 |
|
5.7 5.7 27.6 90 90 120 P6_3mc |
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atom x y z |
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Mg1 0 0 1/48 |
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Al2 2/3 1/3 2/48 |
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Mg3 1/3 2/3 3/48 |
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Al4 5/6 2/3 6/48 |
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Mg5 1/3 2/3 9/48 |
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Al6 0 0 10/48 |
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Mg7 2/3 1/3 11/48 |
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Al8 1/6 5/6 14/48 |
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Ti9 1/3 2/3 18/48 |
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Al10 0 0 19/48 |
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Al11 5/6 2/3 22/48 |
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O1 1/3 1/6 0 |
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O2 1/3 2/3 0 |
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O3 0 0 1/12 |
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O4 0 1/2 1/12 |
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O5 2/3 1/3 2/12 |
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O6 2/3 5/6 2/12 |
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O7 1/3 1/6 3/12 |
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O8 1/3 2/3 3/12 |
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O9 0 0 4/12 |
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O10 0 1/2 4/12 |
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O11 2/3 1/3 5/12 |
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O12 2/3 5/6 5/12 |
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H 2/3 1/3 .38 |
|
|
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|
| |
|
Hogbomite |
| |
Hejny C, Armbruster T |
|
American Mineralogist 87 (2002) 277-292 |
|
Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R polysomes |
|
Note: Data represents a model, not experiment. |
|
Sample: polytype 14T |
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_database_code_amcsd 0002756 |
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5.7 5.7 32.2 90 90 120 P-3m1 |
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atom x y z |
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Al1 0 0 0 |
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Mg2 2/3 1/3 1/56 |
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Al3 2/3 5/6 4/56 |
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Mg4 2/3 1/3 7/56 |
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Al5 1/3 2/3 8/56 |
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Mg6 0 0 9/56 |
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Al7 1/2 0 12/56 |
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Ti8 0 0 16/56 |
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Al9 1/3 2/3 17/56 |
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Al10 5/6 2/3 20/56 |
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Mg11 1/3 2/3 23/56 |
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Al12 2/3 1/3 24/56 |
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Mg13 0 0 25/56 |
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Al14 1 1/2 28/56 |
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O1 1/3 1/6 2/56 |
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O2 1/3 2/3 2/56 |
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O3 1/2 0 6/56 |
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O4 0 0 6/56 |
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O5 2/3 5/6 10/56 |
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O6 2/3 1/3 10/56 |
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O7 5/6 2/3 14/56 |
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O8 1/3 2/3 14/56 |
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O9 2/3 5/6 18/56 |
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O10 2/3 1/3 18/56 |
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O11 1/2 0 22/56 |
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O12 0 0 22/56 |
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O13 1/3 1/6 26/56 |
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O14 1/3 2/3 26/56 |
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H 2/3 1/3 .29 |
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Xilingolite |
 |
Berlepsch P, Armbruster T, Makovicky E, Hejny C, Topa D, Graeser S |
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The Canadian Mineralogist 39 (2001) 1653-1663 |
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The crystal structure of (001) twinned xilingolite, Pb3Bi2S6, |
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from Mittal-Hohtenn, Valais, Switzerland |
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Locality: Mittal-Hohtenn, Valais, Switzerland |
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_database_code_amcsd 0005755 |
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13.511 4.0850 20.649 90 92.15 90 C2/m |
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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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PbM1a .09675 .5 .13585 .67 .0381 .0367 .0428 .0347 0 .0011 0 |
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BiM1a .09675 .5 .13585 .33 .0381 .0367 .0428 .0347 0 .0011 0 |
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PbM1b .91787 .5 .63337 .67 .0399 .0399 .0417 .0380 0 -.0013 0 |
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BiM1b .91787 .5 .63337 .33 .0399 .0399 .0417 .0380 0 -.0013 0 |
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PbM2a .36535 .5 .04701 .67 .0386 .0367 .0407 .0383 0 .0005 0 |
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BiM2a .36535 .5 .04701 .33 .0386 .0367 .0407 .0383 0 .0005 0 |
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BiM2b .63998 .5 .55053 .0363 .0340 .0390 .0357 0 -.0008 0 |
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PbM3 .32697 0 .24043 .0503 .0473 .0456 .0575 0 -.0035 0 |
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S1a .2360 0 .1007 .045 .045 .047 .043 0 -.003 0 |
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S1b .7651 0 .5874 .048 .044 .037 .061 0 -.014 0 |
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S2a 0 .5 0 .044 .048 .045 .040 0 -.002 0 |
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S2b 0 .5 .5000 .042 .033 .038 .056 0 .007 0 |
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S3 .1846 .5 .2505 .036 .034 .047 .027 0 .002 0 |
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S4a .4624 .5 .1649 .042 .045 .047 .033 0 .004 0 |
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S4b .5569 .5 .6648 .037 .035 .047 .029 0 .001 0 |
|
|
| Download AMC data (View Text File)
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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, |
|
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 |
|
|
| Download AMC data (View Text File)
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|
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Xonotlite |
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Hejny C, Armbruster T |
|
Zeitschrift fur Kristallographie 216 (2001) 396-408 |
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Polytypism in xonotlite Ca6Si6O17(OH)2 |
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Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
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Locality: model structure, not experimentally determined |
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_database_code_amcsd 0011088 |
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17.032 7.363 14.023 90 90.36 90 A2/a |
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atom x y z |
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Ca1 .2730 .8755 .7523 |
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Ca2 .0668 .1311 .6684 |
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Ca3 .0693 .6191 .6707 |
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Si1 .1059 .1641 .3841 |
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Si2 .1059 .5860 .3843 |
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Si3 .1591 .8752 .5281 |
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O1 .25 .375 0 |
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O2 .1095 .3756 .4211 |
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O3 .1756 .6301 .3096 |
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O4 .1717 .1201 .3087 |
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O5 .1149 .0542 .4860 |
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O6 .1147 .6965 .4858 |
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O7 .0212 .6276 .3326 |
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O8 .0215 .1223 .3370 |
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O9 .1494 .8759 .6390 |
|
O10 .1489 .3737 .6347 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Xonotlite |
|
Hejny C, Armbruster T |
|
Zeitschrift fur Kristallographie 216 (2001) 396-408 |
|
Polytypism in xonotlite Ca6Si6O17(OH)2 |
|
Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
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Locality: model structure, not experimentally determined |
|
_database_code_amcsd 0011089 |
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8.712 7.363 7.012 89.99 90.36 102.18 P-1 |
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atom x y z |
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Ca1 .5 .5 .5 |
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Ca2 .5 0 .5 |
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Ca3 .1335 .1645 .3368 |
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Ca4 .1385 .6537 .3414 |
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Si1 .2118 .2170 .7682 |
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Si2 .2118 .6389 .7686 |
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Si3 .3182 .9547 .0562 |
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O1 .5 0 0 |
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O2 .2190 .4303 .8422 |
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O3 .3512 .7179 .6192 |
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O4 .3434 .2059 .6174 |
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O5 .2297 .1116 .9720 |
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O6 .2294 .7538 .9716 |
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O7 .0424 .6382 .6652 |
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O8 .0463 .1339 .6740 |
|
O9 .2988 .9506 .2780 |
|
O10 .2977 .4481 .2694 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Xonotlite |
|
Hejny C, Armbruster T |
|
Zeitschrift fur Kristallographie 216 (2001) 396-408 |
|
Polytypism in xonotlite Ca6Si6O17(OH)2 |
|
Note: polytype derived from structure in Kudoh and Takeuchi (1979) |
|
Locality: model structure, not experimentally determined |
|
_database_code_amcsd 0011090 |
|
17.032 7.363 7.012 90 90.36 90 P2/a |
|
atom x y z |
|
Ca1 .25 .375 .5 |
|
Ca2 .25 .875 .5 |
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Ca3 .0668 .1311 .3368 |
|
Ca4 .0693 .6191 .3414 |
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Si1 .1059 .1641 .7682 |
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Si2 .1059 .5860 .7686 |
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Si3 .1591 .8752 .0562 |
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O1 .25 .875 0 |
|
O2 .1095 .3756 .8422 |
|
O3 .1756 .6301 .6192 |
|
O4 .1717 .1201 .6174 |
|
O5 .1149 .0542 .9720 |
|
O6 .1147 .6965 .9716 |
|
O7 .0212 .6276 .6652 |
|
O8 .0215 .1223 .6740 |
|
O9 .1494 .8759 .2780 |
|
O10 .1489 .3737 .2694 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tweddillite |
| |
Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
|
Mineralogical Magazine 66 (2002) 137-150 |
|
Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
|
from the Kalahari manganese fields, South Africa |
|
Locality: Kalahari manganese fields, South Africa |
|
_database_code_amcsd 0014561 |
|
8.934 5.718 10.325 90 114.54 90 P2_1/m |
|
atom x y z occ Biso |
|
CaA1 .7646 .75 .1575 .92 |
|
SrA2 .5941 .75 .42163 1.03 |
|
AlM1 0 0 0 .43 .64 |
|
Mn3+M1 0 0 0 .48 .64 |
|
Fe3+M1 0 0 0 .09 .64 |
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AlM2 0 0 .5 .66 |
|
Mn3+M3 .2954 .25 .2181 5/6 .90 |
|
Fe3+M3 .2954 .25 .2181 1/6 .90 |
|
Si1 .3417 .75 .0411 .95 |
|
Si2 .6877 .25 .2787 .85 |
|
Si3 .1803 .75 .3150 .86 |
|
O1 .2389 .9915 .0386 1.42 |
|
O2 .2984 .9786 .3480 1.14 |
|
O3 .7967 .0160 .3433 1.17 |
|
O4 .0600 .25 .1312 .9 |
|
O5 .0369 .75 .1479 1.0 |
|
O6 .0661 .75 .4061 1.0 |
|
O7 .5174 .75 .1691 1.4 |
|
O8 .5277 .25 .3110 1.0 |
|
O9 .6323 .25 .1063 1.8 |
|
O10 .0815 .25 .4293 .9 |
|
H10 .06 .25 .339 3.95 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganvesuvianite |
| |
Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
|
Mineralogical Magazine 66 (2002) 137-150 |
|
Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
|
from the Kalahari manganese fields, South Africa |
|
Locality: Kalahari manganese fields, South Africa |
|
_database_code_amcsd 0014562 |
|
15.575 15.575 11.824 90 90 90 *P4/n |
|
.25 -.25 0 |
|
atom x y z occ Biso |
|
CaX1 -.25 .25 .2504 .81 |
|
CaX2A .18951 -.04395 .62112 .84 |
|
CaX2B -.04570 .18816 -.12041 .81 |
|
CaX3A .09891 .17897 .11669 1.35 |
|
CaX3B -.39895 -.18214 -.39052 1.27 |
|
MnY2A 0 0 0 .10 .69 |
|
AlY2A 0 0 0 .90 .69 |
|
MnY2B -.5 0 .5 .05 .69 |
|
AlY2B -.5 0 .5 .95 .69 |
|
MnY3A -.11226 .11962 .12497 .19 .73 |
|
AlY3A -.11226 .11962 .12497 .81 .73 |
|
MnY3B -.38839 .12156 .37384 .16 .74 |
|
AlY3B -.38839 .12156 .37384 .84 .74 |
|
CaX4B .25 .25 -.1469 .324 1.1 |
|
MnY1B .25 .25 .5428 .324 .92 |
|
CaX4A .25 .25 .6475 .676 .95 |
|
MnY1A .25 .25 -.0454 .676 .81 |
|
SiZ1A -.25 .25 0 .734 |
|
SiZ1B -.25 .25 .5 .734 |
|
SiZ2A -.04035 .31890 .1292 .734 |
|
SiZ2B -.04115 .18017 .3719 .734 |
|
SiZ3A .08686 .34911 -.1352 .734 |
|
SiZ3B .08199 .15100 .6357 .734 |
|
O1A -.2212 .1725 .0858 .86 |
|
O1B -.2808 .1724 .4148 .84 |
|
O2A -.1174 .3385 .2212 .98 |
|
O2B -.1177 .1588 .2803 .90 |
|
O3A -.0470 .2219 .0751 .94 |
|
O3B -.0478 .2767 .4253 .80 |
|
O4A -.0614 .3934 .0321 1.01 |
|
O4B -.0620 .1059 .4711 .88 |
|
O5A -.0104 .3272 -.1771 1.16 |
|
O5B -.0150 .1701 .6797 1.08 |
|
O6A .1256 .2728 -.0572 1.37 |
|
O6B .1181 .2285 .5598 1.34 |
|
O7A .0561 .3262 .1805 1.24 |
|
O7B .0554 .1722 .3232 1.06 |
|
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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| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
