|
Pyroxmangite |
 |
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyroxmangite |
|
Sample: T = 200 C |
|
_database_code_amcsd 0001169 |
|
9.715 10.549 17.424 112.05 102.83 82.94 C-1 |
|
atom x y z occ Biso |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxmangite |
|
Pinckney L R, Burnham C W |
|
American Mineralogist 73 (1988) 809-817 |
|
High-temperature crystal structure of pyroxmangite |
|
Sample: T = 400 C |
|
_database_code_amcsd 0001170 |
|
9.739 10.585 17.482 112.02 102.66 82.97 C-1 |
|
atom x y z occ Biso |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
|
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Note: Pressure = 0.0001 GPa |
|
_database_code_amcsd 0004770 |
|
9.663 10.457 17.360 112.28 103.13 82.88 C-1 |
|
atom x y z occ Uiso |
|
MnM1 -.00048 .04202 .10506 .985 .0081 |
|
FeM1 -.00048 .04202 .10506 .015 .0081 |
|
MnM2 -.00031 .166454 .31180 .899 .0084 |
|
MgM2 -.00031 .166454 .31180 .101 .0084 |
|
MnM3 .00061 .06715 .60493 .917 .0078 |
|
MgM3 .00061 .06715 .60493 .083 .0078 |
|
MnM4 .01422 .17658 .80618 .932 .0082 |
|
MgM4 .01422 .17658 .80618 .068 .0082 |
|
MnM5 .00392 .27124 .51005 .942 .0112 |
|
MgM5 .00392 .27124 .51005 .058 .0112 |
|
MnM6 .06199 .26317 .01728 .807 .0133 |
|
MgM6 .06199 .26317 .01728 .193 .0133 |
|
MnM7 -.00696 .37071 .21006 .923 .0115 |
|
MgM7 -.00696 .37071 .21006 .077 .0115 |
|
Si1 .20201 .44251 .93515 .0071 |
|
Si2 .20987 .33236 .75112 .0063 |
|
Si3 .21097 .53298 .66185 .0066 |
|
Si4 .20778 .42495 .46847 .0066 |
|
Si5 .21065 .63179 .38004 .0064 |
|
Si6 .20935 .52897 .18891 .0067 |
|
Si7 .20369 .71058 .08906 .0068 |
|
O1 .1283 .0728 .0287 .0096 |
|
O2 .1187 .1861 .2267 .0090 |
|
O3 .1179 .9633 .3112 .0091 |
|
O4 .1214 .0896 .5196 .0092 |
|
O5 .1184 .8721 .6057 .0090 |
|
O6 .1209 .9872 .8062 .0091 |
|
O7 .1289 .7800 .8977 .0096 |
|
O8 .0986 .8443 .0938 .0099 |
|
O9 .1284 .3106 .9294 .0125 |
|
O10 .1247 .1962 .7227 .0096 |
|
O11 .1220 .6651 .7117 .0153 |
|
O12 .1228 .2856 .4254 .0136 |
|
O13 .1301 .7758 .4216 .0126 |
|
O14 .1217 .3948 .1318 .0119 |
|
O15 .1654 .4502 .8390 .0097 |
|
O16 .1589 .4032 .6793 .0134 |
|
O17 .1585 .4978 .5604 .0139 |
|
O18 .1499 .5308 .4172 .0128 |
|
O19 .1533 .5672 .2775 .0116 |
|
O20 .1562 .6614 .1592 .0097 |
|
O21 .1429 .5912 .9966 .0101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
|
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Pressure = 1.24 GPa |
|
_database_code_amcsd 0004771 |
|
9.62 10.41 17.29 112.0 103.4 83.0 C-1 |
|
atom x y z occ Uiso |
|
MnM1 -.0006 .0425 .1053 .985 .0097 |
|
FeM1 -.0006 .0425 .1053 .015 .0097 |
|
MnM2 -.0003 .1667 .3118 .899 .0106 |
|
MgM2 -.0003 .1667 .3118 .101 .0106 |
|
MnM3 -.0011 .0664 .6048 .917 .0115 |
|
MgM3 -.0011 .0664 .6048 .083 .0115 |
|
MnM4 .0129 .1771 .8062 .932 .0122 |
|
MgM4 .0129 .1771 .8062 .068 .0122 |
|
MnM5 .0045 .2726 .5113 .942 .0169 |
|
MgM5 .0045 .2726 .5113 .058 .0169 |
|
MnM6 .0624 .2613 .0161 .807 .0112 |
|
MgM6 .0624 .2613 .0161 .193 .0112 |
|
MnM7 -.0060 .3733 .2110 .923 .0155 |
|
MgM7 -.0060 .3733 .2110 .077 .0155 |
|
Si1 .1996 .4431 .9357 .011 |
|
Si2 .2078 .3331 .7515 .010 |
|
Si3 .2118 .5315 .6613 .009 |
|
Si4 .2072 .4256 .4693 .012 |
|
Si5 .2110 .6321 .3800 .008 |
|
Si6 .2097 .5293 .1892 .013 |
|
Si7 .2043 .7119 .0891 .009 |
|
O1 .132 .070 .027 .012 |
|
O2 .118 .188 .227 .014 |
|
O3 .121 .964 .311 .003 |
|
O4 .123 .088 .519 .012 |
|
O5 .121 .872 .607 .018 |
|
O6 .121 .987 .806 .010 |
|
O7 .132 .778 .899 .014 |
|
O8 .098 .847 .094 .014 |
|
O9 .131 .309 .927 .015 |
|
O10 .122 .194 .724 .014 |
|
O11 .119 .665 .713 .022 |
|
O12 .121 .286 .427 .019 |
|
O13 .135 .775 .421 .013 |
|
O14 .120 .392 .133 .013 |
|
O15 .162 .451 .838 .012 |
|
O16 .156 .401 .679 .010 |
|
O17 .157 .500 .562 .019 |
|
O18 .148 .529 .416 .011 |
|
O19 .152 .569 .275 .011 |
|
O20 .159 .662 .158 .016 |
|
O21 .140 .592 .996 .006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
|
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Pressure = 3.57 GPa |
|
_database_code_amcsd 0004772 |
|
9.57 10.32 17.16 112.1 103.2 82.9 C-1 |
|
atom x y z occ Uiso |
|
MnM1 .0010 .0447 .1060 .985 .0080 |
|
FeM1 .0010 .0447 .1060 .015 .0080 |
|
MnM2 .0020 .1664 .3117 .899 .0089 |
|
MgM2 .0020 .1664 .3117 .101 .0089 |
|
MnM3 -.0016 .0643 .6040 .917 .0088 |
|
MgM3 -.0016 .0643 .6040 .083 .0088 |
|
MnM4 .0104 .1766 .8057 .932 .0103 |
|
MgM4 .0104 .1766 .8057 .068 .0103 |
|
MnM5 .0056 .2741 .5122 .942 .0134 |
|
MgM5 .0056 .2741 .5122 .058 .0134 |
|
MnM6 .0647 .2612 .0159 .807 .0131 |
|
MgM6 .0647 .2612 .0159 .193 .0131 |
|
MnM7 -.0047 .3747 .2109 .923 .0134 |
|
MgM7 -.0047 .3747 .2109 .077 .0134 |
|
Si1 .1981 .4430 .9341 .009 |
|
Si2 .2078 .3295 .7494 .007 |
|
Si3 .2077 .5332 .6613 .007 |
|
Si4 .2063 .4246 .4677 .009 |
|
Si5 .2102 .6355 .3806 .007 |
|
Si6 .2119 .5301 .1893 .011 |
|
Si7 .2058 .7132 .0884 .009 |
|
O1 .129 .071 .0275 .005 |
|
O2 .122 .187 .2264 .010 |
|
O3 .122 .963 .3107 .010 |
|
O4 .117 .088 .5173 .015 |
|
O5 .118 .873 .6051 .015 |
|
O6 .118 .988 .8066 .013 |
|
O7 .124 .777 .9003 .012 |
|
O8 .103 .850 .0934 .009 |
|
O9 .126 .309 .9279 .020 |
|
O10 .123 .192 .7215 .013 |
|
O11 .114 .666 .7130 .014 |
|
O12 .124 .285 .4273 .011 |
|
O13 .133 .779 .4221 .015 |
|
O14 .126 .393 .1313 .010 |
|
O15 .162 .451 .8370 .012 |
|
O16 .153 .400 .6750 .014 |
|
O17 .152 .503 .5604 .012 |
|
O18 .144 .526 .4121 .014 |
|
O19 .151 .572 .2761 .009 |
|
O20 .161 .665 .1598 .015 |
|
O21 .141 .596 .9966 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 