Pyroxmangite
Pinckney L R, Burnham C W
American Mineralogist 73 (1988) 809-817
High-temperature crystal structure of pyrxomangite
Sample: T = 600 C
Note: Si1x changed to a more reasonable value.
_database_code_amcsd 0001171
9.754 10.617 17.506 111.99 102.56 82.97 C-1
atom      x     y     z  occ Biso
Mn1  -.0015 .0391 .1050 .973  2.0
Mg1  -.0015 .0391  .105 .027  2.0
Mn2  -.0016 .1693 .3135 .952  2.0
Mg2  -.0016 .1693 .3135 .048  2.0
Mn3   .0020 .0720 .6064 .962  1.9
Mg3   .0020 .0720 .6064 .038  1.9
Mn4   .0164 .1792 .0872 .967  2.1
Mg4   .0164 .1792 .0872 .033  2.1
Mn5   .0042 .2694 .5094       2.7
Mn6   .0631 .2654 .0197 .921  2.8
Mg6   .0631 .2654 .0197 .079  2.8
Mn7  -.0108 .3686 .2101       2.8
Si1   .2047 .4438 .9362       1.4
Si2   .2124 .3353 .7527       1.3
Si3   .2139 .5337 .6628       1.4
Si4   .2072 .4252 .4692       1.4
Si5   .2104 .6300 .3803       1.3
Si6   .2071 .5281 .1898       1.2
Si7   .2027 .7083 .0895       1.2
OA1   .1304 .0720 .0301       1.8
OA2   .1198 .1856 .2279       1.3
OA3   .1198 .9623 .3125       1.6
OA4   .1268 .0927 .5221       2.1
OA5   .1235 .8720 .6052       1.7
OA6   .1268 .9897 .8076       1.8
OA7   .1331 .7811 .8952       1.6
OA8   .0981 .8377 .0941       1.8
OB1   .1327 .3150 .9326       2.1
OB2   .1258 .2025 .7241       1.8
OB3   .1245 .6630 .7115       2.0
OB4   .1213 .2903 .4281       2.2
OB5   .1275 .7698 .4209       2.1
OB6   .1198 .3967 .1365       1.8
OC1   .1714 .4486 .8419       1.7
OC2   .1649 .4060 .6822       2.1
OC3   .1646 .4962 .5611       2.3
OC4   .1546 .5300 .4193       2.2
OC5   .1564 .5677 .2793       2.4
OC6   .1570 .6574 .1581       1.8
OC7   .1469 .5913 .9977       1.9