American Mineralogist Crystal Structure Database

7 matching records for this search.

Pyroxmangite
Download hom/pyroxmangite.pdf
Pinckney L R, Burnham C W
Download am/vol73/AM73_809.pdf
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
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Pyroxmangite
Download hom/pyroxmangite.pdf
Pinckney L R, Burnham C W
Download am/vol73/AM73_809.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Pyroxmangite
Download hom/pyroxmangite.pdf
Pinckney L R, Burnham C W
Download am/vol73/AM73_809.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Pyroxmangite
Download hom/pyroxmangite.pdf
Pinckney L R, Burnham C W
Download am/vol73/AM73_809.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxmangite
Download hom/pyroxmangite.pdf
Zanazzi P F, Nestola F, Nazzareni S, Comodi P
Download am/vol93/AM93_1921.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxmangite
Download hom/pyroxmangite.pdf
Zanazzi P F, Nestola F, Nazzareni S, Comodi P
Download am/vol93/AM93_1921.pdf
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
Download hom/pyroxmangite.pdf
Zanazzi P F, Nestola F, Nazzareni S, Comodi P
Download am/vol93/AM93_1921.pdf
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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