Pinckney L R, Burnham C W
American Mineralogist 73 (1988) 809-817
High-temperature crystal structure of pyroxmangite
Sample: T = 24 C
_database_code_amcsd 0001168
9.712 10.536 17.438 112.15 102.88 82.95 C-1
atom x y z occ Biso
Mn1 -.0014 .0415 .1050 .973 .6
Mg1 -.0014 .0415 .1050 .027 .6
Mn2 -.0017 .1695 .3124 .952 .6
Mg2 -.0017 .1695 .3124 .048 .6
Mn3 .0016 .0686 .6057 .962 .6
Mg3 .0016 .0686 .6057 .038 .6
Mn4 .0144 .1766 .8064 .967 .6
Mg4 .0144 .1766 .8064 .033 .6
Mn5 .0040 .2698 .5098 .9
Mn6 .0618 .2634 .0177 .921 .9
Mg6 .0618 .2634 .0177 .079 .9
Mn7 -.0089 .3693 .2087 .9
Si1 .2024 .4433 .9350 .6
Si2 .2109 .3322 .7517 .5
Si3 .2124 .5318 .6627 .5
Si4 .2071 .4258 .4697 .5
Si5 .2096 .6318 .3805 .5
Si6 .2080 .5296 .1895 .5
Si7 .2036 .7101 .0895 .5
OA1 .1298 .0709 .0288 .7
OA2 .1194 .1877 .2267 .6
OA3 .1186 .9632 .3105 .7
OA4 .1232 .0908 .5206 .6
OA5 .1208 .8706 .6051 .6
OA6 .1246 .9864 .8061 .6
OA7 .1308 .7794 .8969 .6
OA8 .0984 .8418 .0943 .6
OB1 .1300 .3123 .9293 .8
OB2 .1255 .1977 .7239 .8
OB3 .1236 .6625 .7132 .6
OB4 .1220 .2883 .4275 .7
OB5 .1284 .7745 .4216 .7
OB6 .1210 .3967 .1340 .7
OC1 .1666 .4496 .8403 .6
OC2 .1625 .4013 .6791 .6
OC3 .1610 .4997 .5619 .7
OC4 .1518 .5315 .4190 .8
OC5 .1544 .5677 .2780 .8
OC6 .1569 .6595 .1581 .6
OC7 .1431 .5919 .9975 .6
Sample: T = 200 C
_database_code_amcsd 0001169
9.715 10.549 17.424 112.05 102.83 82.94 C-1
Mn1 -.0014 .0411 .1052 .973 1.2
Mg1 -.0014 .0411 .1052 .027 1.2
Mn2 -.0015 .1695 .3129 .952 1.1
Mg2 -.0015 .1695 .3129 .048 1.1
Mn3 .0022 .0694 .6059 .962 1.0
Mg3 .0022 .0694 .6059 .038 1.0
Mn4 .0154 .1776 .8067 .967 1.1
Mg4 .0154 .1776 .8067 .033 1.1
Mn5 .0040 .2698 .5099 1.5
Mn6 .0628 .2642 .0186 .921 1.7
Mg6 .0628 .2642 .0186 .079 1.7
Mn7 -.0097 .3696 .2094 1.5
Si1 .2034 .4438 .9354 .9
Si2 .2117 .3334 .7524 .8
Si3 .2126 .5328 .6629 .9
Si4 .2069 .4261 .4701 .7
Si5 .2108 .6308 .3805 .8
Si6 .2077 .5289 .1901 .7
Si7 .2036 .7091 .0895 .7
OA1 .1298 .0723 .0302 1.3
OA2 .1198 .1877 .2276 1.0
OA3 .1194 .9634 .3111 .7
OA4 .1254 .0925 .5214 1.2
OA5 .1218 .8727 .6063 .7
OA6 .1266 .9888 .8072 1.1
OA7 .1318 .7827 .8981 1.1
OA8 .0991 .8406 .0945 1.0
OB1 .1322 .3096 .9288 1.6
OB2 .1258 .1968 .7222 1.1
OB3 .1248 .6603 .7107 1.1
OB4 .1215 .2907 .4267 1.2
OB5 .1293 .7709 .4217 1.1
OB6 .1225 .3974 .1341 .8
OC1 .1699 .4474 .8388 1.3
OC2 .1640 .4025 .6816 1.2
OC3 .1626 .5001 .5637 1.3
OC4 .1531 .5313 .4184 1.2
OC5 .1550 .5672 .2783 1.0
OC6 .1562 .6617 .1610 .9
OC7 .1459 .5920 .9965 1.3
Sample: T = 400 C
_database_code_amcsd 0001170
9.739 10.585 17.482 112.02 102.66 82.97 C-1
Mn1 -.0013 .0401 .1052 .973 1.5
Mg1 -.0013 .0401 .1052 .027 1.5
Mn2 -.0018 .1693 .3132 .952 1.5
Mg2 -.0018 .1693 .3132 .048 1.5
Mn3 .0021 .0709 .6063 .962 1.4
Mg3 .0021 .0709 .6063 .038 1.4
Mn4 .0159 .1782 .8069 .967 1.6
Mg4 .0159 .1782 .8069 .033 1.6
Mn5 .0042 .2695 .5095 2.0
Mn6 .0626 .2647 .0190 .921 2.2
Mg5 .0626 .2647 .0190 .079 2.2
Mn7 -.0103 .3687 .2095 2.1
Si1 .2037 .4438 .9360 1.2
Si2 .2119 .3338 .7522 1.0
Si3 .2129 .5327 .6625 1.1
Si4 .2073 .4252 .4696 1.1
Si5 .2099 .6307 .3801 1.0
Si6 .2072 .5289 .1897 1.1
Si7 .2035 .7088 .0895 1.1
OA1 .1308 .0716 .0299 1.5
OA2 .1198 .1863 .2272 1.2
OA3 .1191 .9620 .3112 1.3
OA4 .1250 .0914 .5212 1.5
OA5 .1225 .8719 .6052 1.4
OA6 .1265 .9887 .8073 1.5
OA7 .1336 .7804 .8958 1.3
OA8 .0991 .8394 .094 1.4
OB1 .1320 .3135 .9316 1.6
OB2 .1255 .2009 .7236 1.4
OB3 .1238 .6634 .7114 1.5
OB4 .1218 .2898 .4281 1.6
OB5 .1274 .7718 .4212 1.6
OB6 .1214 .3969 .1357 1.6
OC1 .1706 .4487 .8410 1.3
OC2 .1642 .4046 .6809 1.6
OC3 .1630 .4977 .5616 1.7
OC4 .1533 .5301 .4191 1.8
OC5 .1557 .5676 .2790 2.0
OC6 .1568 .6570 .1581 1.4
OC7 .1454 .5912 .9976 1.4
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
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
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Total number of retrieved datasets: 4 View in amc, download in amc
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