|
Albite |
 |
Harlow G E, Brown G E |
 |
American Mineralogist 65 (1980) 986-995 |
|
Low albite: An X-Ray and neutron diffraction study |
|
Sample: X-ray single Na atom |
|
Note: this sample of feldspar is from Amelia, Virginia |
|
_database_code_amcsd 0000797 |
|
8.142 12.785 7.159 94.19 116.61 87.68 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1o .00878 .16864 .20805 .970 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002 |
|
Si1o .00878 .16864 .20805 .030 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002 |
|
Si1m .00382 .82064 .23734 .965 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013 |
|
Al1m .00382 .82064 .23734 .035 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013 |
|
Si2o .69210 .11040 .31507 0.00246 0.00046 0.00306 -.00002 0.00090 0.00000 |
|
Si2m .68175 .88189 .36071 0.00250 0.00049 0.00318 0.00011 0.00116 0.00015 |
|
Na1 .26839 .98867 .14628 .986 0.00620 0.00524 0.01468 -.00080 0.00356 -.00516 |
|
Oa1 .00481 .12120 .96610 0.00716 0.00121 0.00333 0.00027 0.00296 0.00023 |
|
Oa2 .59166 .99766 .27967 0.00336 0.00069 0.00585 -.00004 0.00127 0.00028 |
|
Obo .81285 .11039 .19124 0.00518 0.00146 0.00788 -.00067 0.00406 -.00031 |
|
Obm .82061 .85121 .25942 0.00593 0.00174 0.01051 0.00097 0.00531 0.00028 |
|
Oco .01348 .30276 .27023 0.00523 0.00082 0.00661 -.00025 0.00217 -.00027 |
|
Ocm .02402 .69390 .22938 0.00485 0.00082 0.00672 0.00048 0.00128 0.00014 |
|
Odo .20765 .10922 .38898 0.00564 0.00145 0.00403 0.00066 0.00055 0.00047 |
|
Odm .18316 .86825 .43555 0.00634 0.00152 0.00436 -.00040 -.00002 -.00026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Harlow G E, Brown G E |
|
American Mineralogist 65 (1980) 986-995 |
|
Low albite: An X-Ray and neutron diffraction study |
|
Sample: X-ray split Na site |
|
Note: this sample of feldspar is from Amelia, Virginia |
|
_database_code_amcsd 0000798 |
|
8.142 12.785 7.159 94.19 116.61 87.68 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1o .00878 .16864 .20805 .970 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002 |
|
Si1o .00878 .16864 .20805 .030 0.00333 0.00070 0.00263 -.00020 0.00128 0.00002 |
|
Si1m .00382 .82064 .23734 .965 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013 |
|
Al1m .00382 .82064 .23734 .035 0.00277 0.00056 0.00219 0.00021 0.00114 0.00013 |
|
Si2o .69210 .11040 .31507 0.00246 0.00046 0.00306 -.00002 0.00090 0.00000 |
|
Si2m .68175 .88189 .36071 0.00250 0.00049 0.00318 0.00011 0.00116 0.00015 |
|
Na2 .27033 .97800 .16219 |
|
Na3 .26617 .00103 .12793 |
|
Oa1 .00481 .12120 .96610 0.00716 0.00121 0.00333 0.00027 0.00296 0.00023 |
|
Oa2 .59166 .99766 .27967 0.00336 0.00069 0.00585 -.00004 0.00127 0.00028 |
|
Obo .81285 .11039 .19124 0.00518 0.00146 0.00788 -.00067 0.00406 -.00031 |
|
Obm .82061 .85121 .25942 0.00593 0.00174 0.01051 0.00097 0.00531 0.00028 |
|
Oco .01348 .30276 .27023 0.00523 0.00082 0.00661 -.00025 0.00217 -.00027 |
|
Ocm .02402 .69390 .22938 0.00485 0.00082 0.00672 0.00048 0.00128 0.00014 |
|
Odo .20765 .10922 .38898 0.00564 0.00145 0.00403 0.00066 0.00055 0.00047 |
|
Odm .18316 .86825 .43555 0.00634 0.00152 0.00436 -.00040 -.00002 -.00026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Harlow G E, Brown G E |
|
American Mineralogist 65 (1980) 986-995 |
|
Low albite: An X-Ray and neutron diffraction study |
|
Sample: neutron single Na atom |
|
Note: this sample of feldspar is from Amelia, Virginia |
|
_database_code_amcsd 0000799 |
|
8.142 12.785 7.159 94.19 116.61 87.68 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1o .00901 .16862 .20806 .970 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010 |
|
Si1o .00901 .16862 .20806 .030 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010 |
|
Si1m .00386 .82062 .23728 .965 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014 |
|
Al1m .00386 .82062 .23728 .035 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014 |
|
Si2o .69209 .11036 .31508 0.00259 0.00073 0.00381 -.00012 0.00143 0.00019 |
|
Si2m .68152 .88195 .36078 0.00228 0.00079 0.00380 0.00005 0.00138 0.00025 |
|
Na1 .26849 .98870 .14672 .986 0.00580 0.00591 0.01548 -.00100 0.00400 -.00515 |
|
Oa1 .00490 .12115 .96638 0.00641 0.00159 0.00368 -.00011 0.00304 0.00037 |
|
Oa2 .59229 .99755 .28053 0.00311 0.00078 0.00581 -.00005 0.00165 0.00043 |
|
Obo .81231 .11013 .19056 0.00461 0.00174 0.00805 -.00092 0.00419 -.00029 |
|
Obm .82027 .85114 .25876 0.00542 0.00233 0.01076 0.00089 0.00582 0.00040 |
|
Oco .01342 .30252 .27026 0.00404 0.00098 0.00754 -.00057 0.00237 -.00020 |
|
Ocm .02398 .69389 .22991 0.00421 0.00092 0.00701 0.00039 0.00167 0.00033 |
|
Odo .20770 .10901 .38910 0.00476 0.00175 0.00409 0.00039 0.00084 0.00044 |
|
Odm .18364 .86819 .43609 0.00542 0.00180 0.00431 -.00055 0.00012 -.00015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Albite |
|
Harlow G E, Brown G E |
|
American Mineralogist 65 (1980) 986-995 |
|
Low albite: An X-Ray and neutron diffraction study |
|
Sample: neutron split Na site |
|
Note: this sample of feldspar is from Amelia, Virginia |
|
_database_code_amcsd 0000800 |
|
8.142 12.785 7.159 94.19 116.61 87.68 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1o .00901 .16862 .20806 .970 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010 |
|
Si1o .00901 .16862 .20806 .030 0.00326 0.00098 0.00314 -.00029 0.00163 0.00010 |
|
Si1m .00386 .82062 .23728 .965 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014 |
|
Al1m .00386 .82062 .23728 .035 0.00266 0.00087 0.00278 0.00015 0.00147 0.00014 |
|
Si2o .69209 .11036 .31508 0.00259 0.00073 0.00381 -.00012 0.00143 0.00019 |
|
Si2m .68152 .88195 .36078 0.00228 0.00079 0.00380 0.00005 0.00138 0.00025 |
|
Na2 .27098 .97765 .16218 |
|
Na3 .26561 .00168 .12859 |
|
Oa1 .00490 .12115 .96638 0.00641 0.00159 0.00368 -.00011 0.00304 0.00037 |
|
Oa2 .59229 .99755 .28053 0.00311 0.00078 0.00581 -.00005 0.00165 0.00043 |
|
Obo .81231 .11013 .19056 0.00461 0.00174 0.00805 -.00092 0.00419 -.00029 |
|
Obm .82027 .85114 .25876 0.00542 0.00233 0.01076 0.00089 0.00582 0.00040 |
|
Oco .01342 .30252 .27026 0.00404 0.00098 0.00754 -.00057 0.00237 -.00020 |
|
Ocm .02398 .69389 .22991 0.00421 0.00092 0.00701 0.00039 0.00167 0.00033 |
|
Odo .20770 .10901 .38910 0.00476 0.00175 0.00409 0.00039 0.00084 0.00044 |
|
Odm .18364 .86819 .43609 0.00542 0.00180 0.00431 -.00055 0.00012 -.00015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Grande Calderira, Or = 32.5, T = 23 deg C |
|
feldspar |
|
_database_code_amcsd 0000874 |
|
8.290 12.966 7.151 91.18 116.31 90.14 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0085 .1753 .2207 .25 0.0056 0.0017 0.0051 -.0004 0.0028 0.0000 |
|
Si1 .0085 .1753 .2207 .750 0.0056 0.0017 0.0051 -.0004 0.0028 0.0000 |
|
Al2 .0069 .8180 .2252 .25 0.0053 0.0015 0.0051 0.0007 0.0026 0.0002 |
|
Si2 .0069 .8180 .2252 .750 0.0053 0.0015 0.0051 0.0007 0.0026 0.0002 |
|
Al3 .6954 .1140 .3354 .25 0.0051 0.0011 0.0065 0.0000 0.0026 0.0002 |
|
Si3 .6954 .1140 .3354 .750 0.0051 0.0011 0.0065 0.0000 0.0026 0.0002 |
|
Al4 .6941 .8815 .3465 .25 0.0054 0.0011 0.0063 0.0003 0.0027 0.0001 |
|
Si4 .6941 .8815 .3465 .750 0.0054 0.0011 0.0063 0.0003 0.0027 0.0001 |
|
Na .2750 .0013 .1366 .667 -.0014 0.0065 0.0139 0.0002 -.0007 -.0052 |
|
K .2750 .0013 .1366 .333 -.0014 0.0065 0.0139 0.0002 -.0007 -.0052 |
|
O1 .0016 .1388 .9947 0.0124 0.0030 0.0097 0.0006 0.0061 0.0004 |
|
O2 .6056 .9972 .2828 0.0086 0.0018 0.0124 0.0001 0.0032 0.0002 |
|
O3 .8233 .1279 .2180 0.0095 0.0041 0.0158 -.0010 0.0075 0.0005 |
|
O4 .8227 .8574 .2329 0.0094 0.0039 0.0151 0.0011 0.0071 -.0002 |
|
O5 .0233 .3012 .2618 0.0088 0.0022 0.0122 -.0003 0.0044 -.0003 |
|
O6 .0241 .6916 .2421 0.0084 0.0020 0.0118 0.0003 0.0030 0.0004 |
|
O7 .1897 .1204 .4004 0.0090 0.0025 0.0087 0.0006 0.0023 0.0008 |
|
O8 .1883 .8725 .4125 0.0086 0.0027 0.0095 -.0003 0.0022 -.0007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Grande Caldeira, Or = 32.5, T = 400 deg C |
|
feldspar |
|
_database_code_amcsd 0000875 |
|
8.3482 12.9800 7.1582 90 116.109 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0091 .1797 .2238 .25 0.0135 0.0031 0.0106 -.0008 0.0076 -.0002 |
|
Si1 .0091 .1797 .2238 .750 0.0135 0.0031 0.0106 -.0008 0.0076 -.0002 |
|
Al2 .6985 .1167 .3431 .25 0.0132 0.0025 0.0124 -.0002 0.0075 -.0001 |
|
Si2 .6985 .1167 .3431 .750 0.0132 0.0025 0.0124 -.0002 0.0075 -.0001 |
|
Na .2796 0 .1366 .667 0.0095 0.0107 0.0334 0 0.0087 0 |
|
K .2796 0 .1366 .333 0.0095 0.0107 0.0334 0 0.0087 0 |
|
O1 0 .1408 0 0.0240 0.0049 0.0098 0 0.0096 0 |
|
O2 .6157 0 .2884 0.0190 0.0032 0.0194 0 0.0089 0 |
|
O3 .8242 .1373 .2236 0.0182 0.0064 0.0290 -.0006 0.0159 0.0011 |
|
O4 .0275 .3078 .2544 0.0187 0.0037 0.0280 -.0012 0.0136 -.0014 |
|
O5 .1883 .1248 .4087 0.0190 0.0045 0.0209 0.0015 0.0082 0.0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Mt. Gibele, Or = 22.3, T = 23 deg C |
|
feldspar |
|
_database_code_amcsd 0000876 |
|
8.252 12.936 7.139 92.11 116.32 90.22 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0085 .1711 .2185 .25 0.0085 0.0019 0.0069 0.0000 0.0047 0.0005 |
|
Si1 .0085 .1711 .2185 .75 0.0085 0.0019 0.0069 0.0000 0.0047 0.0005 |
|
Al2 .0060 .8164 .2271 .25 0.0082 0.0016 0.0066 0.0011 0.0044 0.0008 |
|
Si2 .0060 .8164 .2271 .75 0.0082 0.0016 0.0066 0.0011 0.0044 0.0008 |
|
Al3 .6933 .1115 .3289 .25 0.0080 0.0013 0.0084 0.0005 0.0044 0.0005 |
|
Si3 .6933 .1115 .3289 .75 0.0080 0.0013 0.0084 0.0005 0.0044 0.0005 |
|
Al4 .6904 .8798 .3496 .25 0.0084 0.0013 0.0081 0.0007 0.0045 0.0006 |
|
Si4 .6904 .8798 .3496 .75 0.0084 0.0013 0.0081 0.0007 0.0045 0.0006 |
|
Na .2743 .0033 .1353 .75 0.0000 0.0074 0.0167 0.0007 -.0003 -.0091 |
|
K .2743 .0033 .1353 .25 0.0000 0.0074 0.0167 0.0007 -.0003 -.0091 |
|
O1 .0033 .1377 .9907 0.0150 0.0035 0.0109 0.0012 0.0076 0.0012 |
|
O2 .5994 .9945 .2802 0.0117 0.0019 0.0138 0.0005 0.0052 0.0008 |
|
O3 .8219 .1194 .2092 0.0128 0.0044 0.0177 0.0001 0.0096 0.0011 |
|
O4 .8212 .8531 .2381 0.0117 0.0044 0.0171 0.0014 0.0087 0.0004 |
|
O5 .0207 .2964 .2688 0.0115 0.0027 0.0137 0.0001 0.0063 -.0001 |
|
O6 .0227 .6899 .2312 0.0116 0.0024 0.0128 0.0009 0.0044 0.0006 |
|
O7 .1916 .1171 .3943 0.0126 0.0029 0.0105 0.0009 0.0044 0.0011 |
|
O8 .1881 .8701 .4191 0.0116 0.0029 0.0115 0.0005 0.0038 0.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Mt. Gibele, Or = 22.3, T = 510 deg C |
|
feldspar |
|
_database_code_amcsd 0000877 |
|
8.314 12.973 7.150 90 116.135 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0081 .1792 .2236 .25 0.0093 0.0028 0.0092 -.0009 0.0049 -.0002 |
|
Si1 .0081 .1792 .2236 .75 0.0093 0.0028 0.0092 -.0009 0.0049 -.0002 |
|
Al2 .6967 .1164 .3422 .25 0.0087 0.0021 0.0111 -.0003 0.0047 -.0002 |
|
Si2 .6967 .1164 .3422 .75 0.0087 0.0021 0.0111 -.0003 0.0047 -.0002 |
|
Na1 .2780 0 .1372 .75 0.0060 0.0106 0.0291 0 0.0048 0 |
|
K1 .2780 0 .1372 .25 0.0060 0.0106 0.0291 0 0.0048 0 |
|
O1 0 .1391 0 0.0202 0.0056 0.0129 0 0.0096 0 |
|
O2 .6084 0 .2842 0.0123 0.0028 0.0219 0 0.0051 0 |
|
O3 .8230 .1361 .2242 0.0145 0.0070 0.0282 -.0025 0.0139 -.0006 |
|
O4 .0256 .3044 .2528 0.0148 0.0035 0.0250 -.0015 0.0086 -.0007 |
|
O5 .1877 .1241 .4063 0.0153 0.0056 0.0153 0.0010 0.0035 0.0019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Kakanui, Or = 13.8, T = 23 deg C |
|
feldspar |
|
_database_code_amcsd 0000878 |
|
8.2168 12.9166 7.1270 92.754 116.357 90.239 C-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0087 .1686 .2168 .25 0.0047 0.0019 0.0073 -.0005 0.0029 -.0004 |
|
Si1 .0087 .1686 .2168 .75 0.0047 0.0019 0.0073 -.0005 0.0029 -.0004 |
|
Al2 .0054 .8153 .2275 .25 0.0044 0.0018 0.0068 0.0003 0.0027 -.0002 |
|
Si2 .0054 .8153 .2275 .75 0.0044 0.0018 0.0068 0.0003 0.0027 -.0002 |
|
Al3 .6923 .1099 .3256 .25 0.0044 0.0014 0.0082 -.0002 0.0025 -.0002 |
|
Si3 .6923 .1099 .3256 .75 0.0044 0.0014 0.0082 -.0002 0.0025 -.0002 |
|
Al4 .6886 .8789 .3514 .25 0.0045 0.0015 0.0083 0 0.0028 -.0002 |
|
Si4 .6886 .8789 .3514 .75 0.0045 0.0015 0.0083 0.0000 0.0028 -.0002 |
|
Na .2743 .0051 .1350 .85 -.0016 0.0115 0.0227 0.0005 -.0021 -.0144 |
|
K .2743 .0051 .1350 .15 -.0016 0.0115 0.0227 0.0005 -.0021 -.0144 |
|
O1 .0045 .1369 .9881 0.0113 0.0033 0.0117 0.0000 0.0063 -.0003 |
|
O2 .5969 .9925 .2818 0.0075 0.0023 0.0118 -.0003 0.0034 0.0004 |
|
O3 .8220 .1145 .2051 0.0090 0.0036 0.0164 -.0010 0.0074 -.0004 |
|
O4 .8203 .8499 .2422 0.0081 0.0045 0.0169 0.0006 0.0072 -.0010 |
|
O5 .0188 .2940 .2724 0.0077 0.0024 0.0158 -.0006 0.0050 -.0009 |
|
O6 .0225 .6882 .2267 0.0077 0.0027 0.0107 0.0006 0.0021 0.0003 |
|
O7 .1932 .1146 .3911 0.0080 0.0029 0.0102 0.0004 0.0020 0.0004 |
|
O8 .1882 .8685 .4232 0.0076 0.0034 0.0109 -.0004 0.0011 0.0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Anorthoclase |
|
Harlow G E |
|
American Mineralogist 67 (1982) 975-996 |
|
The anorthoclase structures: The effects of temperature and composition |
|
Kakanui, Or = 13.8, T = 750 deg C |
|
feldspar |
|
_database_code_amcsd 0000879 |
|
8.321 12.969 7.148 90 116.05 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .0089 .1796 .2240 .25 0.0144 0.0054 0.0163 -.0011 0.0088 -.0002 |
|
Si1 .0089 .1796 .2240 .75 0.0144 0.0054 0.0163 -.0011 0.0088 -.0002 |
|
Al2 .6972 .1170 .3437 .25 0.0121 0.0045 0.0202 -.0003 0.0081 -.0001 |
|
Si2 .6972 .1170 .3437 .75 0.0121 0.0045 0.0202 -.0003 0.0081 -.0001 |
|
Na .2839 0 .1496 .85 0.0126 0.0247 0.0619 0 0.0070 0 |
|
K .2839 0 .1496 .15 0.0126 0.0247 0.0619 0 0.0070 0 |
|
O1 0 .1378 0 0.0327 0.0083 0.0263 0 0.0151 0 |
|
O2 .6115 0 .2858 0.0145 0.0055 0.0508 0 0.0014 0 |
|
O3 .8282 .1382 .2288 0.0211 0.0123 0.0407 -.0031 0.0202 0.0018 |
|
O4 .0320 .3030 .2563 0.0251 0.0064 0.0397 -.0030 0.0150 -.0006 |
|
O5 .1850 .1251 .4121 0.0266 0.0084 0.0267 0.0023 0.0106 0.0019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vonbezingite |
|
Dai Y S, Harlow G E |
|
American Mineralogist 77 (1992) 1292-1300 |
|
Description and crystal structure of vonbezingite, a new Ca-Cu-SO4-H2O mineral |
|
from the Kalahari manganese field, South Africa |
|
_database_code_amcsd 0001543 |
|
15.122 14.358 22.063 90 108.68 90 P2_1/c |
|
atom x y z |
|
Cu1A .2556 .8786 .5025 .0134 |
|
Cu1B .7555 .6251 .5036 .0125 |
|
Cu2A .1928 .5400 .7470 .0149 |
|
Cu2B .8221 .9648 .2536 .0161 |
|
Cu2C .6934 .7920 .7475 .0118 |
|
Cu2D .3231 .7189 .2541 .0106 |
|
Ca1A .6622 .6922 .6079 .016 |
|
Ca1B .3509 .8120 .3967 .015 |
|
Ca1C .1581 .9379 .6089 .019 |
|
Ca1D -.1550 .5582 .3942 .019 |
|
Ca2A .4481 .8632 .6459 .018 |
|
Ca2B .5557 .8622 .8550 .017 |
|
Ca2C -.0515 .8855 .1466 .017 |
|
Ca2D .0558 .8886 .3552 .017 |
|
Ca3A .2310 .6913 .6128 .016 |
|
Ca3B .7792 .8049 .3868 .013 |
|
Ca3C .7284 .9438 .6113 .022 |
|
Ca3D .2713 .5594 .3861 .022 |
|
S1A .9050 .9282 .5335 .010 |
|
S1B .1005 .5740 .4643 .011 |
|
S1C .4048 .6764 .5334 .011 |
|
S1D .6013 .8201 .4677 .010 |
|
S2A .4916 .0145 .7506 .005 |
|
S2B .0029 .7355 .2522 .018 |
|
O1A .7505 .8140 .6810 .028 |
|
O1B .2664 .6918 .3209 .032 |
|
O1C .7708 .9344 .3218 .040 |
|
O1D .2399 .5611 .6768 .047 |
|
O2A .3335 .9401 .4635 .030 |
|
O2B .6748 .5642 .5417 .031 |
|
O2C .1736 .8062 .5393 .041 |
|
O2D .8368 .6938 .4647 .039 |
|
O3A .5832 .7619 .6776 .031 |
|
O3B .4310 .7563 .3239 .041 |
|
O3C .0658 .9953 .6761 .034 |
|
O3D -.0744 .4884 .3213 .038 |
|
O4A .2051 .8210 .4183 .035 |
|
O4B .8079 .6869 .5875 .035 |
|
O4C .3078 .9381 .5861 .039 |
|
O4D -.3006 .5676 .4202 .037 |
|
O5A .3049 .9366 .3172 .035 |
|
O5B .7095 .5665 .6852 .039 |
|
O5C .2089 .8095 .6820 .032 |
|
O5D .8065 .6837 .3205 .036 |
|
O6A .8660 .0085 .6901 .049 |
|
O6B .1255 .5048 .3117 .046 |
|
O6C .3702 .7443 .6835 .025 |
|
O6D .6411 .7428 .3155 .026 |
|
O7A .4620 .5535 .4158 .049 |
|
O7B .4725 .0609 .4232 .032 |
|
O7C .0346 .696 .5881 .056 |
|
O7D .9664 .8010 .4075 .041 |
|
O8A .9964 .8810 .5507 .054 |
|
O8B .0072 .6183 .4434 .054 |
|
O8C .5103 .8729 .4492 .033 |
|
O8D .4986 .6317 .5581 .031 |
|
O9A .8462 .8917 .5666 .036 |
|
O9B .1607 .6150 .4346 .039 |
|
O9C .6644 .867 .4367 .042 |
|
O9D .3381 .6247 .5586 .033 |
|
O10A .8647 .9228 .4601 .033 |
|
O10B .1358 .5800 .5384 .036 |
|
O10C .6463 .8250 .5351 .036 |
|
O10D .3713 .6680 .4658 .040 |
|
O11A .0838 .9709 .4516 .027 |
|
O11B .0918 .4732 .4485 .026 |
|
O11C .4114 .774 .5508 .058 |
|
O11D .5825 .7238 .4489 .057 |
|
O12A .4419 .5752 .2512 .042 |
|
O12B .9447 .8195 .2509 .042 |
|
O13A .5162 .0170 .6920 .050 |
|
O13B .0258 .7349 .1923 .053 |
|
O14A .0863 .7420 .3080 .053 |
|
O14B .4257 .5141 .6923 .046 |
|
O15A .5678 .9065 .2464 .052 |
|
O15B .9506 .8496 .7556 .064 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Poldervaartite |
|
Dai Y S, Harlow G E, McGhie A R |
|
American Mineralogist 78 (1993) 1082-1087 |
|
Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the |
|
Kalahari manganese field, South Africa: Crystal structure and description |
|
_database_code_amcsd 0001615 |
|
9.398 9.139 10.535 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .15406 .49326 .39021 .0090 .0101 .0084 -.0004 .0007 .0003 |
|
Ca2 .51266 .33390 .43048 .67 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
|
Mn .51266 .33390 .43048 .33 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
|
Si .32973 .21515 .65939 .0076 .0075 .0069 .0002 -.0002 -.0004 |
|
Oh1 .2518 .3502 .5735 .028 .0104 .0140 .0046 -.0084 -.0005 |
|
O2 -.0559 .3590 .4368 .0092 .0145 .0117 -.0019 -.0002 -.0042 |
|
O3 .1020 .7101 .2829 .0160 .0134 .0087 .0022 .0045 .0043 |
|
Oh4 .3965 .5492 .3980 .0118 .019 .016 -.0012 -.0002 .0063 |
|
O5 .2019 .3986 .1893 .0146 .0145 .0129 .0044 .0018 -.0016 |
|
H1 .257 .074 .117 .03 |
|
H2 -.084 .588 .173 .03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Harlow G E |
| |
American Mineralogist 81 (1996) 632-638 |
|
Structure refinement of a natural K-rich diopside: The effect of K on the |
|
average structure |
|
_database_code_amcsd 0001796 |
|
9.7476 8.9478 5.2622 90 106.056 90 C2/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 .9069 .25 .885 .0072 .0060 .0074 0 .0003 0 |
|
Fe1 0 .9069 .25 .023 .0072 .0060 .0074 0 .0003 0 |
|
Al1 0 .9069 .25 .021 .0072 .0060 .0074 0 .0003 0 |
|
Cr1 0 .9069 .25 .071 .0072 .0060 .0074 0 .0003 0 |
|
Ca2 0 .3008 .25 .798 .0102 .0093 .0069 0 -.0020 0 |
|
K2 0 .3008 .25 .073 .0102 .0093 .0069 0 -.0020 0 |
|
Na2 0 .3008 .25 .023 .0102 .0093 .0069 0 -.0020 0 |
|
Mg2' 0 .264 .25 .070 3.9 |
|
Fe2' 0 .264 .25 .036 3.9 |
|
Si .28726 .09254 .2300 .996 .0079 .0064 .0089 -.0003 .0023 -.0006 |
|
Al .28726 .09254 .2300 .004 .0079 .0064 .0089 -.0003 .0023 -.0006 |
|
O1 .1154 .0861 .1415 .0089 .012 .012 .0006 .0023 -.0000 |
|
O2 .3621 .2498 .3193 .018 .009 .019 -.0044 .0073 -.0027 |
|
O3 .3502 .0182 .9951 .0078 .015 .011 -.0002 .0025 -.0045 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phase-X |
| |
Mancini F, Harlow G E, Cahill C L |
|
American Mineralogist 87 (2002) 302-306 |
|
The crystal structure and cation ordering of phase-X - |
|
(K1-x-n)2(Mg1-n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing |
|
phase in the mantle |
|
_database_code_amcsd 0002757 |
|
5.028 5.028 13.216 90 90 120 P6_3cm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 0 0 .0127 .0102 .0102 .0065 .0051 0 0 |
|
Si2 0 0 .2602 .0069 .0069 .0001 .00345 0 0 |
|
MgM -1/3 1/3 .1377 .92 .0080 .0080 .0137 .0040 0 0 |
|
AlM -1/3 1/3 .1377 .03 .0080 .0080 .0137 .0040 0 0 |
|
CrM -1/3 1/3 .1377 .01 .0080 .0080 .0137 .0040 0 0 |
|
K .3532 .6453 .3875 .0153 .0239 .0082 -.0030 .0026 -.0001 |
|
O1 .3124 0 .2284 .0051 .0035 .0052 .00175 .0005 0 |
|
O2 0 0 -.1110 .0201 .0201 .0084 .01005 0 0 |
|
O3 -.3106 0 .0493 .0153 .0201 .0190 .01005 -.0004 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 0.0001 GPa |
|
Note: altered y-coordinate of O2 |
|
_database_code_amcsd 0003133 |
|
9.5720 8.7094 5.2678 90 107.498 90 C2/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na2 0 .2999 .25 1.55 .0051 .0045 .0122 0 -.0005 0 |
|
Cr1 0 .90769 .25 .91 .00277 .0030 .0078 0 .0005 0 |
|
Si .29259 .0918 .2343 .92 .0028 .0031 .0081 .0000 .0008 .0000 |
|
O1 .1137 .0784 .1366 1.01 .0027 .0038 .0081 -.0002 .0004 .0004 |
|
O2 .3605 .2589 .3033 1.25 .0038 .0039 .0123 -.0005 .0014 -.0001 |
|
O3 .3529 .0095 .0092 1.14 .0035 .0040 .0097 .0006 .0014 -.0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 1.14 GPa |
|
_database_code_amcsd 0003134 |
|
9.5439 8.6831 5.2517 90 107.441 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3006 .25 1.80 |
|
Cr1 0 .9082 .25 1.23 |
|
Si .2925 .0921 .2342 1.29 |
|
O1 .1144 .0798 .138 1.34 |
|
O2 .3614 .2583 .306 1.4 |
|
O3 .3527 .0109 .007 1.45 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 2.22 GPa |
|
_database_code_amcsd 0003135 |
|
9.5173 8.6605 5.2374 90 107.349 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3005 .25 1.5 |
|
Cr1 0 .9079 .25 .78 |
|
Si .2927 .0922 .2344 .92 |
|
O1 .1149 .0793 .136 1.0 |
|
O2 .3606 .2585 .307 1.1 |
|
O3 .3548 .0114 .008 1.1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 3.53 GPa |
|
_database_code_amcsd 0003136 |
|
9.4867 8.6323 5.2206 90 107.221 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3020 .25 1.4 |
|
Cr1 0 .9084 .25 .93 |
|
Si .2928 .0922 .2347 .93 |
|
O1 .1146 .0802 .140 1.2 |
|
O2 .3604 .2605 .308 1.2 |
|
O3 .3535 .0142 .008 0.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 5.05 GPa |
|
_database_code_amcsd 0003137 |
|
9.4562 8.5997 5.2016 90 107.104 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3031 .25 1.5 |
|
Cr1 0 .9088 .25 .78 |
|
Si .2924 .0936 .2343 .95 |
|
O1 .116 .0799 .139 0.9 |
|
O2 .360 .2611 .310 1.0 |
|
O3 .359 .0131 .005 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 5.78 GPa |
|
_database_code_amcsd 0003138 |
|
9.4350 8.5780 5.1894 90 107.030 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .303 .25 1.2 |
|
Cr1 0 .9091 .25 .76 |
|
Si .2926 .0934 .2344 .64 |
|
O1 .114 .082 .137 0.8 |
|
O2 .362 .261 .314 0.8 |
|
O3 .353 .0162 .004 0.8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 6.25 GPa |
|
_database_code_amcsd 0003139 |
|
9.4295 8.5700 5.1844 90 106.999 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3034 .25 1.3 |
|
Cr1 0 .9087 .25 .80 |
|
Si .2929 .0935 .2343 .86 |
|
O1 .115 .0805 .138 0.8 |
|
O2 .362 .2622 .313 1.1 |
|
O3 .354 .0150 .002 0.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 7.08 GPa |
|
_database_code_amcsd 0003140 |
|
9.4110 8.5517 5.1729 90 106.910 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3058 .25 1.3 |
|
Cr1 0 .9088 .25 .84 |
|
Si .2927 .0936 .2355 .95 |
|
O1 .116 .0813 .140 0.8 |
|
O2 .362 .2627 .313 1.2 |
|
O3 .358 .0172 .002 1.07 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 7.23 GPa |
|
_database_code_amcsd 0003141 |
|
9.4105 8.5481 5.1727 90 106.915 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3025 .25 1.2 |
|
Cr1 0 .9086 .25 .69 |
|
Si .2929 .0933 .2348 .70 |
|
O1 .1148 .0820 .141 0.8 |
|
O2 .3588 .2624 .312 0.8 |
|
O3 .3570 .0161 .003 0.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 7.39 GPa |
|
_database_code_amcsd 0003142 |
|
9.4059 8.5472 5.1703 90 106.892 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3053 .25 1.3 |
|
Cr1 0 .9089 .25 .77 |
|
Si .2933 .0934 .2356 .79 |
|
O1 .116 .0812 .139 0.9 |
|
O2 .358 .2637 .311 1.0 |
|
O3 .358 .0165 .002 0.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 8.50 GPa |
|
_database_code_amcsd 0003143 |
|
9.3836 8.5201 5.1560 90 106.776 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .303 .25 1.2 |
|
Cr1 0 .9092 .25 .74 |
|
Si .2936 .0932 .2352 .77 |
|
O1 .1136 .079 .138 0.8 |
|
O2 .360 .264 .313 1.0 |
|
O3 .355 .017 .002 0.7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 8.97 GPa |
|
_database_code_amcsd 0003144 |
|
9.3742 8.5086 5.1484 90 106.721 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .304 .25 1.4 |
|
Cr1 0 .9096 .25 .83 |
|
Si .2936 .0938 .2350 .75 |
|
O1 .1142 .080 .139 0.8 |
|
O2 .359 .264 .314 1.1 |
|
O3 .357 .018 .004 0.8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kosmochlor |
|
Origlieri M J, Downs R T, Thompson R M, Pommier C J S, Denton M B, Harlow G E |
|
American Mineralogist 88 (2003) 1025-1032 |
|
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of |
|
anisotropic compression in pyroxenes |
|
Sample: P = 9.28 GPa |
|
_database_code_amcsd 0003145 |
|
9.3694 8.5028 5.1456 90 106.717 90 C2/c |
|
atom x y z Biso |
|
Na2 0 .3044 .25 1.2 |
|
Cr1 0 .9094 .25 .70 |
|
Si .2935 .0933 .2363 .72 |
|
O1 .1142 .081 .138 0.7 |
|
O2 .3585 .264 .314 0.9 |
|
O3 .3560 .0184 .000 0.7 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zoltaiite |
| |
Bartholomew P R, Mancini F, Cahill C L, Harlow G E, Bernhardt H J |
|
American Mineralogist 90 (2005) 1655-1660 |
|
Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia: |
|
Description and crystal structure |
|
Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada |
|
_database_code_amcsd 0003940 |
|
7.601 7.601 9.219 90 90 120 P-3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba 0 0 .5 .0093 .0098 .0098 .0084 .0049 0 0 |
|
V3+1 .2070 .9557 .1377 .915 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
|
Fe3+1 .2070 .9557 .1377 .06 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
|
Fe2+1 .2070 .9557 .1377 .02 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
|
Mg1 .2070 .9557 .1377 .005 .0065 .0066 .0055 .0068 .0026 .0005 .0003 |
|
V3+2 .0869 .4589 .6355 .928 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
|
Cr2 .0869 .4589 .6355 .056 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
|
Al2 .0869 .4589 .6355 .003 .0072 .0079 .0064 .0072 .0034 .0001 .0002 |
|
V4+3 1/3 2/3 .3578 .345 .0082 .0081 .0081 .0085 .0040 0 0 |
|
Ti4+3 1/3 2/3 .3578 .655 .0082 .0081 .0081 .0085 .0040 0 0 |
|
Si 1/3 2/3 .9409 .0067 .0079 .0079 .0042 .0039 0 0 |
|
O1 .1777 .7455 .9908 .0073 .0074 .0071 .0087 .0045 .0008 -.0010 |
|
O2 .2957 .4474 .5043 .0092 .0097 .0073 .0084 .0025 .0002 .0006 |
|
O3 2/3 1/3 .2403 .0077 .0087 .0087 .0056 .0043 0 0 |
|
O4 .0385 .2255 .7511 .0076 .0087 .0095 .0063 .0058 -.0014 -.0008 |
|
O5 .0952 .4839 .2593 .0080 .0085 .0083 .0074 .0042 -.0006 -.0037 |
|
O6 0 0 0 .0066 .0047 .0047 .0105 .0023 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, in air |
|
_database_code_amcsd 0004146 |
|
9.6912 8.8986 5.2531 90 105.990 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca2 0 .30245 .25 .88 .896 .00315 .00222 .00716 0 -.00010 0 |
|
K2 0 .30245 .25 .12 .896 .00315 .00222 .00716 0 -.00010 0 |
|
Mg1 0 .90703 .25 .83 .51 .00143 .00169 .00454 0 .00042 0 |
|
Al1 0 .90703 .25 .17 .51 .00143 .00169 .00454 0 .00042 0 |
|
Si .28620 .09297 .22578 .99 .427 .00115 .00151 .00400 .00002 .00061 -.00017 |
|
Al .28620 .09297 .22578 .01 .427 .00115 .00151 .00400 .00002 .00061 -.00017 |
|
O1 .11410 .08445 .13811 .83 .00128 .00394 .00797 .00025 .00105 -.00028 |
|
O2 .35996 .25132 .31167 .94 .00364 .00202 .00935 -.00071 .00189 -.00077 |
|
O3 .35013 .01660 .99295 .69 .00166 .00281 .00628 -.00006 .00109 -.00104 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, in diamond cell, P = 0 GPa |
|
_database_code_amcsd 0004147 |
|
9.6912 8.8986 5.2531 90 105.990 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .30244 .25 .88 .87 |
|
K2 0 .30244 .25 .12 .87 |
|
Mg1 0 .9070 .25 .83 .52 |
|
Al1 0 .9070 .25 .17 .52 |
|
Si .28611 .09289 .2257 .99 .43 |
|
Al .28611 .09289 .2257 .01 .43 |
|
O1 .1140 .0844 .1382 .91 |
|
O2 .3596 .2514 .3113 .94 |
|
O3 .3501 .0165 .9926 .67 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, P = .46 GPa |
|
_database_code_amcsd 0004148 |
|
9.6828 8.8880 5.2482 90 105.951 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .3025 .25 .88 1.05 |
|
K2 0 .3025 .25 .12 1.05 |
|
Mg1 0 .9070 .25 .83 .66 |
|
Al1 0 .9070 .25 .17 .66 |
|
Si .2861 .0931 .2254 .99 .60 |
|
Al .2861 .0931 .2254 .01 .60 |
|
O1 .1146 .0845 .1375 1.02 |
|
O2 .3607 .2523 .3124 1.08 |
|
O3 .3500 .0167 .9932 .91 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, P = 2.45 GPa |
|
_database_code_amcsd 0004149 |
|
9.6313 8.8327 5.2212 90 105.746 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .3036 .25 .88 1.00 |
|
K2 0 .3036 .25 .12 1.00 |
|
Mg1 0 .9077 .25 .83 .62 |
|
Al1 0 .9077 .25 .17 .62 |
|
Si .2858 .0935 .2248 .99 .59 |
|
Al .2858 .0935 .2248 .01 .59 |
|
O1 .1142 .0849 .1386 1.03 |
|
O2 .3599 .2533 .3131 1.05 |
|
O3 .3509 .0178 .9910 .83 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, P = 5.36 GPa |
|
_database_code_amcsd 0004150 |
|
9.5674 8.7596 5.1863 90 105.520 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .3044 .25 .88 1.29 |
|
K2 0 .3044 .25 .12 1.29 |
|
Mg1 0 .9087 .25 .83 .98 |
|
Al1 0 .9087 .25 .17 .98 |
|
Si .2860 .0941 .2249 .99 .96 |
|
Al .2860 .0941 .2249 .01 .96 |
|
O1 .1119 .0846 .1370 1.40 |
|
O2 .3582 .2549 .3144 1.36 |
|
O3 .3520 .0190 .9880 1.12 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, P = 8.11 GPa |
|
_database_code_amcsd 0004151 |
|
9.5089 8.6937 5.1545 90 105.344 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .3053 .25 .88 .85 |
|
K2 0 .3053 .25 .12 .85 |
|
Mg1 0 .9091 .25 .83 .63 |
|
Al1 0 .9091 .25 .17 .63 |
|
Si .2863 .0947 .2247 .99 .54 |
|
Al .2863 .0947 .2247 .01 .54 |
|
O1 .1136 .0853 .1385 .95 |
|
O2 .3594 .2566 .3155 .98 |
|
O3 .3529 .0207 .9873 .81 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S |
|
American Mineralogist 91 (2006) 802-808 |
|
Compressibility of synthetic potassium-rich clinopyroxene: |
|
In situ high-pressure single-crystal X-ray study |
|
Sample: 939-1, P = 9.72 GPa |
|
_database_code_amcsd 0004152 |
|
9.4762 8.6541 5.1356 90 105.269 90 C2/c |
|
atom x y z occ Biso |
|
Ca2 0 .3058 .25 .88 .79 |
|
K2 0 .3058 .25 .12 .79 |
|
Mg1 0 .9098 .25 .83 .55 |
|
Al1 0 .9098 .25 .17 .55 |
|
Si .2862 .0948 .2247 .99 .53 |
|
Al .2862 .0948 .2247 .01 .53 |
|
O1 .1124 .0852 .1385 .86 |
|
O2 .3588 .2577 .3170 .93 |
|
O3 .3541 .0211 .9872 .72 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Herderite |
|
Harlow G E, Hawthorne F C |
| |
American Mineralogist 93 (2008) 1545-1549 |
|
Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from |
|
Ehrenfriedersdorf, Germany |
|
Locality: Mogok Stone Tract, Myanmar |
|
Note: 108370 |
|
_database_code_amcsd 0004659 |
|
9.7446 7.6769 4.7633 90 90.667 90 P2_1/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .33014 .11216 .99591 .00986 .00938 .01037 .00985 -.00046 .00069 -.00072 |
|
Be .33895 .4141 .5397 .0091 .0087 .0095 .0090 .0006 .0003 .0004 |
|
P .08160 .27075 .47351 .00687 .00602 .00686 .00773 -.00013 .00021 -.00007 |
|
O1 .04005 .39814 .24585 .00978 .0098 .0090 .0105 .0004 -.0009 .0022 |
|
O2 .45729 .28281 .65111 .00954 .0074 .0106 .0107 .0022 .0021 .0013 |
|
O3 .19339 .34517 .67592 .00944 .0066 .0124 .0093 -.0023 -.0005 -.0007 |
|
O4 .14551 .10755 .33633 .01034 .0119 .0073 .0119 .0013 .0032 -.0003 |
|
FO5 .32911 .40918 .21090 .776 .0122 .0126 .0151 .0090 .0012 -.0012 -.0004 |
|
OHO5 .32911 .40918 .21090 .224 .0122 .0126 .0151 .0090 .0012 -.0012 -.0004 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Herderite |
|
Harlow G E, Hawthorne F C |
| |
American Mineralogist 93 (2008) 1545-1549 |
|
Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from |
|
Ehrenfriedersdorf, Germany |
|
Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany |
|
Note: 20517 |
|
Note: Occupancies derived from X-ray diffraction analysis |
|
_database_code_amcsd 0004660 |
|
9.7615 7.6680 4.7853 90 90.184 90 P2_1/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .33054 .11215 .99672 .00938 .00899 .00969 .00946 -.00064 .00065 -.00093 |
|
Be .33905 .4143 .5364 .0090 .0078 .0099 .0093 .0003 .0002 .0009 |
|
P .08141 .27112 .47175 .00671 .00598 .00669 .00747 -.00018 .00013 .00001 |
|
O1 .03997 .39849 .2455 .00957 .0094 .0089 .0104 .0006 -.0007 .0024 |
|
O2 .45738 .28281 .65139 .00917 .0071 .0104 .0101 .0020 .0017 .0015 |
|
O3 .19302 .34533 .67079 .00936 .0065 .0120 .0096 -.0022 .0006 -.0010 |
|
O4 .14412 .10715 .3332 .00978 .0113 .0069 .0112 .0011 .0030 -.0003 |
|
FO5 .33181 .41132 .20637 .515 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
|
OHO5 .33181 .41132 .20637 .485 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hydroxylherderite |
|
Harlow G E, Hawthorne F C |
| |
American Mineralogist 93 (2008) 1545-1549 |
|
Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from |
|
Ehrenfriedersdorf, Germany |
|
Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany |
|
Note: 20517 |
|
Note: Occupancies derived from electron-microprobe analysis |
|
_database_code_amcsd 0004661 |
|
9.7615 7.6680 4.7853 90 90.184 90 P2_1/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .33054 .11215 .99672 .00938 .00899 .00969 .00946 -.00064 .00065 -.00093 |
|
Be .33905 .4143 .5364 .0090 .0078 .0099 .0093 .0003 .0002 .0009 |
|
P .08141 .27112 .47175 .00671 .00598 .00669 .00747 -.00018 .00013 .00001 |
|
O1 .03997 .39849 .2455 .00957 .0094 .0089 .0104 .0006 -.0007 .0024 |
|
O2 .45738 .28281 .65139 .00917 .0071 .0104 .0101 .0020 .0017 .0015 |
|
O3 .19302 .34533 .67079 .00936 .0065 .0120 .0096 -.0022 .0006 -.0010 |
|
O4 .14412 .10715 .3332 .00978 .0113 .0069 .0112 .0011 .0030 -.0003 |
|
FO5 .33181 .41132 .20637 .48 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
|
OHO5 .33181 .41132 .20637 .52 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magneiosadanagaite |
| |
Hawthorne F C, Harlow G E |
| |
The Canadian Mineralogist 46 (2008) 151-162 |
|
The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite |
|
Locality: Dattaw mine, Mogok Stone Tract, Mandalay Division, Myanmar |
|
_database_code_amcsd 0006160 |
|
9.857 17.899 5.318 90 105.36 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaAm .017 .5 .039 .18 .0292 |
|
KAm .017 .5 .039 .025 .0292 |
|
KAm' .049 .5 .106 .06 .0292 |
|
NaA2 .5 -.0298 0 .225 .0292 |
|
CaM4 0 .28115 .5 .975 .0103 .0122 .0091 .0100 0 .0039 0 |
|
NaM4 0 .28115 .5 .025 .0103 .0122 .0091 .0100 0 .0039 0 |
|
MgM1 0 .08994 .5 .935 .0071 .0089 .0073 .0052 0 .0018 0 |
|
Fe2+M1 0 .08994 .5 .065 .0071 .0089 .0073 .0052 0 .0018 0 |
|
AlM2 0 .17641 0 .60 .0052 .0053 .0054 .0049 0 .0012 0 |
|
TiM2 0 .17641 0 .08 .0052 .0053 .0054 .0049 0 .0012 0 |
|
CrM2 0 .17641 0 .035 .0052 .0053 .0054 .0049 0 .0012 0 |
|
MgM2 0 .17641 0 .285 .0052 .0053 .0054 .0049 0 .0012 0 |
|
MgM3 0 0 0 .91 .0065 .0083 .0052 .0054 0 .0009 0 |
|
Fe2+M3 0 0 0 .09 .0065 .0083 .0052 .0054 0 .0009 0 |
|
SiT1 .27989 .08649 .30485 .515 .0106 .0111 .0105 .0098 -.0008 .0020 -.0001 |
|
AlT1 .27989 .08649 .30485 .485 .0106 .0111 .0105 .0098 -.0008 .0020 -.0001 |
|
SiT2 .29138 .17420 .81875 .86 .0093 .0102 .0091 .0084 .0001 .0021 .0005 |
|
AlT2 .29138 .17420 .81875 .14 .0093 .0102 .0091 .0084 .0001 .0021 .0005 |
|
O1 .10412 .09060 .2124 .0122 .0102 .0167 .0097 -.0029 .0023 -.0007 |
|
O2 .11794 .17446 .7416 .0110 .0118 .0103 .0098 .0002 .0012 .0015 |
|
OH3 .1085 0 .7135 .79 .0149 .0150 .0152 .0140 0 .0031 0 |
|
F3 .1085 0 .7135 .21 .0149 .0150 .0152 .0140 0 .0031 0 |
|
O4 .3701 .25257 .7933 .0127 .0177 .0097 .0123 .0006 .0068 .0007 |
|
O5 .3522 .14183 .1177 .0133 .0122 .0139 .0127 -.0013 .0013 .0031 |
|
O6 .3420 .11722 .6127 .0140 .0116 .0146 .0145 .0014 .0010 -.0034 |
|
O7 .3370 0 .2753 .0165 .0164 .0151 .0192 0 .0067 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Potassic-ferrisadanagaite |
| |
Hawthorne F C, Harlow G E |
| |
The Canadian Mineralogist 46 (2008) 151-162 |
|
The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite |
|
Locality: Ilmen alkaline massif, South Urals, Russia |
|
_database_code_amcsd 0006161 |
|
9.9257 18.0917 5.3709 90 105.19 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KAm .02223 .5 .04661 .05 .0177 |
|
KAm' .065 .5 .131 .26 .0177 |
|
NaA2 0 .4795 0 .16 .0177 |
|
CaM4 0 .28249 .5 .86 .0108 .0125 .0103 .0110 0 .0055 0 |
|
NaM4 0 .28249 .5 .14 .0108 .0125 .0103 .0110 0 .0055 0 |
|
MgM1 0 .09139 .5 .185 .0066 .0082 .0081 .0042 0 .0026 0 |
|
Fe2+M1 0 .09139 .5 .775 .0066 .0082 .0081 .0042 0 .0026 0 |
|
MnM1 0 .09139 .5 .04 .0066 .0082 .0081 .0042 0 .0026 0 |
|
AlM2 0 .17959 0 .36 .0040 .0043 .0037 .0038 0 .0009 0 |
|
Fe3+M2 0 .17959 0 .42 .0040 .0043 .0037 .0038 0 .0009 0 |
|
TiM2 0 .17959 0 .105 .0040 .0043 .0037 .0038 0 .0009 0 |
|
ZnM2 0 .17959 0 .01 .0040 .0043 .0037 .0038 0 .0009 0 |
|
MgM2 0 .17959 0 .105 .0040 .0043 .0037 .0038 0 .0009 0 |
|
MgM3 0 0 0 .10 .0056 .0075 .0044 .0045 0 .0008 0 |
|
Fe2+M3 0 0 0 .72 .0056 .0075 .0044 .0045 0 .0008 0 |
|
MnM3 0 0 0 .18 .0056 .0075 .0044 .0045 0 .0008 0 |
|
SiT1 .27785 .08708 .30453 .47 .01051 .0107 .0106 .0099 -.0007 .0020 -.0002 |
|
AlT1 .27785 .08708 .30453 .53 .01051 .0107 .0106 .0099 -.0007 .0020 -.0002 |
|
SiT2 .29168 .17379 .81893 .805 .00879 .0094 .0093 .0075 -.0002 .0020 .0001 |
|
AlT2 .29168 .17379 .81893 .195 .00879 .0094 .0093 .0075 -.0002 .0020 .0001 |
|
O1 .1029 .09398 .2099 .0124 .0118 .0139 .0113 -.0005 .0027 -.0006 |
|
O2 .1187 .17763 .7449 .0119 .0113 .0129 .0105 .0009 .0013 .0003 |
|
Oh3 .1101 0 .7106 .85 .0133 .0113 .0156 .0129 0 .0028 0 |
|
F3 .1101 0 .7106 .15 .0133 .0113 .0156 .0129 0 .0028 0 |
|
O4 .3715 .25126 .7954 .0123 .0144 .0114 .0123 -.0003 .0056 -.0002 |
|
O5 .3518 .13948 .1136 .0128 .0113 .0147 .0121 -.0005 .0024 .0029 |
|
O6 .3406 .11902 .6082 .0138 .0117 .0147 .0149 .0017 .0033 -.0033 |
|
O7 .3300 0 .2878 .0176 .0158 .0140 .0225 0 .0041 0 |
|
H .2106 0 .740 .85 .01599 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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