|
Mg3Si4O10(OH)2*H2O |
| |
Comodi P, Fumagalli P, Nazzareni S, Zanazzi P F |
 |
American Mineralogist 90 (2005) 1012-1016 |
|
The 10 A phase: Crystal structure from single-crystal X-ray data |
|
_database_code_amcsd 0003790 |
|
5.323 9.203 10.216 90 99.98 90 C2/m |
|
atom x y z Uiso |
|
Mg1 0 .5 .5 .018 |
|
Mg2 0 .8335 .5 .020 |
|
Si .5768 .1666 .2305 .018 |
|
O1 .8089 .2487 .1751 .022 |
|
O2 .5571 0 .1755 .021 |
|
O3 .6291 .1674 .3901 .015 |
|
OH4 .1325 0 .3947 .016 |
|
Wat5 0 0 0 .099 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
 |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 91 (2006) 1871-1878 |
|
Structural effects of pressure on chlorite: A single-crystal study |
|
Locality: Alpe Reguzzolo, Val Malenco, Italy |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0004250 |
|
5.327 9.233 14.381 90.2 97.2 89.97 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .9 .0069 |
|
FeM1 0 0 0 .1 .0069 |
|
MgM2 .0009 .33362 0 .9 .0070 |
|
FeM2 .0009 .33362 0 .1 .0070 |
|
MgM3 -.0002 .16677 .5 .9 .0073 |
|
FeM3 -.0002 .16677 .5 .1 .0073 |
|
AlM4 0 .5 .5 .0067 |
|
Si1 .23108 .16723 .19144 .79 .0069 |
|
Al1 .23108 .16723 .19144 .21 .0069 |
|
Si2 .73088 .00056 .19143 .79 .0068 |
|
Al2 .73088 .00056 .19143 .21 .0068 |
|
O1 .1925 .1669 .07681 .0081 |
|
O2 .6923 .0003 .07686 .0084 |
|
O3 .2141 .3339 .23258 .0157 |
|
O4 .5102 .0994 .23276 .0156 |
|
O5 .0103 .0686 .23257 .0157 |
|
Oh1 .6913 .3335 .07334 .0098 |
|
Oh2 .1465 -.0003 .43043 .0155 |
|
Oh3 .1418 .3345 .43035 .0157 |
|
Oh4 .6419 .1651 .43078 .0144 |
|
H1 .703 .337 .132 .054 |
|
H2 .122 .001 .374 .054 |
|
H3 .121 .334 .375 .054 |
|
H4 .607 .156 .377 .054 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 91 (2006) 1871-1878 |
|
Structural effects of pressure on chlorite: A single-crystal study |
|
Locality: Alpe Reguzzolo, Val Malenco, Italy |
|
Sample: P = 1.83 GPa |
|
_database_code_amcsd 0004251 |
|
5.298 9.183 14.23 90.22 97.21 89.95 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .9 .0045 |
|
FeM1 0 0 0 .1 .0045 |
|
MgM2 .0010 .3335 -.0010 .9 .0044 |
|
FeM2 .0010 .3335 -.0010 .1 .0044 |
|
MgM3 -.0006 .1667 1/2 .9 .0037 |
|
FeM3 -.0006 .1667 1/2 .1 .0037 |
|
AlM4 0 .5 .5 .0031 |
|
Si1 .2310 .1670 .1915 .79 .0053 |
|
Al1 .2310 .1670 .1915 .21 .0053 |
|
Si2 .7311 .0005 .1931 .79 .0060 |
|
Al2 .7311 .0005 .1931 .21 .0060 |
|
O1 .1905 .1667 .077 .003 |
|
O2 .6935 .0005 .076 .006 |
|
O3 .2084 .3336 .233 .014 |
|
O4 .5137 .1028 .234 .016 |
|
O5 .0131 .0656 .232 .016 |
|
OH1 .6905 .3331 .077 .006 |
|
OH2 .1450 -.0001 .427 .015 |
|
OH3 .141 .3344 .428 .016 |
|
OH4 .6409 .1649 .428 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 91 (2006) 1871-1878 |
|
Structural effects of pressure on chlorite: A single-crystal study |
|
Locality: Alpe Reguzzolo, Val Malenco, Italy |
|
Sample: P = 3.14 GPa |
|
_database_code_amcsd 0004252 |
|
5.280 9.147 14.15 90.20 97.20 89.92 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .9 .0033 |
|
FeM1 0 0 0 .1 .0033 |
|
MgM2 0 .3336 -.0003 .9 .0033 |
|
FeM2 0 .3336 -.0003 .1 .0033 |
|
MgM3 -.0003 .1665 1/2 .9 .0031 |
|
FeM3 -.0003 .1665 1/2 .1 .0031 |
|
AlM4 0 .5 .5 .0024 |
|
Si1 .2313 .1673 .1922 .79 .0045 |
|
Al1 .2313 .1673 .1922 .21 .0045 |
|
Si2 .7321 .0008 .1927 .79 .0044 |
|
Al2 .7321 .0008 .1927 .21 .0044 |
|
O1 .1908 .1667 .078 .004 |
|
O2 .6921 .0009 .078 .003 |
|
O3 .206 .3344 .235 .014 |
|
O4 .5148 .1042 .234 .014 |
|
O5 .0132 .0638 .236 .014 |
|
OH1 .6921 .3331 .078 .005 |
|
OH2 .1475 -.0007 .426 .012 |
|
OH3 .140 .3349 .425 .014 |
|
OH4 .6408 .1649 .426 .010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 91 (2006) 1871-1878 |
|
Structural effects of pressure on chlorite: A single-crystal study |
|
Locality: Alpe Reguzzolo, Val Malenco, Italy |
|
Sample: P = 4.25 GPa |
|
_database_code_amcsd 0004253 |
|
5.2618 9.114 14.106 90.12 97.20 89.97 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .9 .005 |
|
FeM1 0 0 0 .1 .005 |
|
MgM2 0 .3329 -.0005 .9 .0062 |
|
FeM2 0 .3329 -.0005 .1 .0062 |
|
MgM3 -.0015 .1671 .4994 .9 .006 |
|
FeM3 -.0015 .1671 .4994 .1 .006 |
|
AlM4 0 .5 .5 .006 |
|
Si1 .2300 .1673 .191 .79 .006 |
|
Al1 .2300 .1673 .191 .21 .006 |
|
Si2 .7304 .0005 .191 .79 .007 |
|
Al2 .7304 .0005 .191 .21 .007 |
|
O1 .192 .1661 .079 .012 |
|
O2 .694 .0012 .080 .012 |
|
O3 .200 .3339 .238 .015 |
|
O4 .521 .1066 .238 .018 |
|
O5 .019 .0620 .238 .016 |
|
OH1 .697 .3323 .082 .006 |
|
OH2 .143 -.0014 .424 .012 |
|
OH3 .137 .3346 .422 .012 |
|
OH4 .641 .1654 .422 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 91 (2006) 1871-1878 |
|
Structural effects of pressure on chlorite: A single-crystal study |
|
Locality: Alpe Reguzzolo, Val Malenco, Italy |
|
Sample: P = 4.85 GPa |
|
_database_code_amcsd 0004254 |
|
5.252 9.106 14.11 90.1 97.3 89.93 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .9 .005 |
|
FeM1 0 0 0 .1 .005 |
|
MgM2 0 .3331 -.0003 .9 .0069 |
|
FeM2 0 .3331 -.0003 .1 .0069 |
|
MgM3 -.0005 .1671 .4995 .9 .0048 |
|
FeM3 -.0005 .1671 .4995 .1 .0048 |
|
AlM4 0 .5 .5 .004 |
|
Si1 .2312 .1677 .191 .006 |
|
Al1 .2312 .1677 .191 .006 |
|
Si2 .7312 .0007 .191 .009 |
|
Al2 .7312 .0007 .191 .009 |
|
O1 .189 .1665 .077 .020 |
|
O2 .695 .0002 .082 .015 |
|
O3 .200 .3339 .235 .020 |
|
O4 .522 .1071 .239 .018 |
|
O5 .021 .0620 .240 .017 |
|
OH1 .700 .3327 .087 .006 |
|
OH2 .142 -.0005 .418 .015 |
|
OH3 .139 .3338 .420 .016 |
|
OH4 .641 .1661 .421 .010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004284 |
|
5.3363 9.240 14.37 90 96.93 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .0073 |
|
FeM1 0 0 0 .085 .0073 |
|
AlM1 0 0 0 .151 .0073 |
|
MgM2 0 .33269 0 .764 .0074 |
|
FeM2 0 .33269 0 .085 .0074 |
|
AlM2 0 .33269 0 .151 .0074 |
|
MgM3 0 .16654 .5 .764 .0076 |
|
FeM3 0 .16654 .5 .085 .0076 |
|
AlM3 0 .16654 .5 .151 .0076 |
|
MgM4 0 .5 .5 .764 .0064 |
|
FeM4 0 .5 .5 .085 .0064 |
|
AlM4 0 .5 .5 .151 .0064 |
|
SiT .22844 .16673 .19152 .794 .0074 |
|
AlT .22844 .16673 .19152 .206 .0074 |
|
O1 .1914 .1666 .07678 .0087 |
|
O2 .2100 0 .2328 .0163 |
|
O3 .5070 .2344 .2327 .0161 |
|
OH1 .1901 .5 .0734 .0099 |
|
OH2 .1517 0 .4307 .0151 |
|
OH3 .1407 .3368 .4304 .0160 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 0.77 GPa |
|
_database_code_amcsd 0004285 |
|
5.327 9.227 14.23 90 96.9 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .006 |
|
FeM1 0 0 0 .085 .006 |
|
AlM1 0 0 0 .151 .006 |
|
MgM2 0 .3326 0 .764 .007 |
|
FeM2 0 .3326 0 .085 .007 |
|
AlM2 0 .3326 0 .151 .007 |
|
MgM3 0 .1674 .5 .764 .006 |
|
FeM3 0 .1674 .5 .085 .006 |
|
AlM3 0 .1674 .5 .151 .006 |
|
MgM4 0 .5 .5 .764 .006 |
|
FeM4 0 .5 .5 .085 .006 |
|
AlM4 0 .5 .5 .151 .006 |
|
SiT .2297 .1667 .1933 .794 .010 |
|
AlT .2297 .1667 .1933 .206 .010 |
|
O1 .192 .1668 .078 .006 |
|
O2 .209 0 .233 .014 |
|
O3 .5077 .2339 .234 .015 |
|
OH1 .192 .5 .072 .011 |
|
OH2 .152 0 .425 .013 |
|
OH3 .141 .3368 .427 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 1.52 GPa |
|
_database_code_amcsd 0004286 |
|
5.304 9.190 14.20 90 96.9 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .008 |
|
FeM1 0 0 0 .085 .008 |
|
AlM1 0 0 0 .151 .008 |
|
MgM2 0 .3328 0 .764 .007 |
|
FeM2 0 .3328 0 .085 .007 |
|
AlM2 0 .3328 0 .151 .007 |
|
MgM3 0 .1677 .5 .764 .004 |
|
FeM3 0 .1677 .5 .085 .004 |
|
AlM3 0 .1677 .5 .151 .004 |
|
MgM4 0 .5 .5 .764 .005 |
|
FeM4 0 .5 .5 .085 .005 |
|
AlM4 0 .5 .5 .151 .005 |
|
SiT .2286 .1664 .1909 .794 .005 |
|
AlT .2286 .1664 .1909 .206 .005 |
|
O1 .190 .1671 .072 .011 |
|
O2 .207 0 .234 .020 |
|
O3 .509 .2327 .233 .017 |
|
OH1 .189 .5 .072 .008 |
|
OH2 .151 0 .425 .012 |
|
OH3 .141 .3364 .425 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 2.28 GPa |
|
_database_code_amcsd 0004287 |
|
5.293 9.168 14.19 90 96.79 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .006 |
|
FeM1 0 0 0 .085 .006 |
|
AlM1 0 0 0 .151 .006 |
|
MgM2 0 .3333 0 .764 .005 |
|
FeM2 0 .3333 0 .085 .005 |
|
AlM2 0 .3333 0 .151 .005 |
|
MgM3 0 .1669 .5 .764 .005 |
|
FeM3 0 .1669 .5 .085 .005 |
|
AlM3 0 .1669 .5 .151 .005 |
|
MgM4 0 .5 .5 .764 .005 |
|
FeM4 0 .5 .5 .085 .005 |
|
AlM4 0 .5 .5 .151 .005 |
|
SiT .2284 .1665 .1907 .794 .007 |
|
AlT .2284 .1665 .1907 .206 .007 |
|
O1 .191 .1671 .075 .009 |
|
O2 .204 0 .233 .014 |
|
O3 .511 .2321 .235 .015 |
|
OH1 .188 .5 .073 .009 |
|
OH2 .150 0 .425 .013 |
|
OH3 .142 .3358 .426 .014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 3.66 GPa |
|
_database_code_amcsd 0004288 |
|
5.270 9.132 14.11 90 96.77 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .005 |
|
FeM1 0 0 0 .085 .005 |
|
AlM1 0 0 0 .151 .005 |
|
MgM2 0 .3335 0 .764 .006 |
|
FeM2 0 .3335 0 .085 .006 |
|
AlM2 0 .3335 0 .151 .006 |
|
MgM3 0 .1667 .5 .764 .005 |
|
FeM3 0 .1667 .5 .085 .005 |
|
AlM3 0 .1667 .5 .151 .005 |
|
MgM4 0 .5 .5 .764 .005 |
|
FeM4 0 .5 .5 .085 .005 |
|
AlM4 0 .5 .5 .151 .005 |
|
SiT .2285 .1663 .1921 .794 .007 |
|
AlT .2285 .1663 .1921 .206 .007 |
|
O1 .192 .1672 .076 .008 |
|
O2 .199 0 .233 .011 |
|
O3 .514 .2290 .237 .019 |
|
OH1 .190 .5 .075 .008 |
|
OH2 .150 0 .425 .010 |
|
OH3 .142 .3364 .425 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 4.52 GPa |
|
_database_code_amcsd 0004289 |
|
5.252 9.103 14.08 90 96.71 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .006 |
|
FeM1 0 0 0 .085 .006 |
|
AlM1 0 0 0 .151 .006 |
|
MgM2 0 .3334 0 .764 .006 |
|
FeM2 0 .3334 0 .085 .006 |
|
AlM2 0 .3334 0 .151 .006 |
|
MgM3 0 .1672 .5 .764 .005 |
|
FeM3 0 .1672 .5 .085 .005 |
|
AlM3 0 .1672 .5 .151 .005 |
|
MgM4 0 .5 .5 .764 .005 |
|
FeM4 0 .5 .5 .085 .005 |
|
AlM4 0 .5 .5 .151 .005 |
|
SiT .2278 .1666 .1913 .794 .007 |
|
AlT .2278 .1666 .1913 .206 .007 |
|
O1 .192 .1675 .074 .008 |
|
O2 .196 0 .231 .014 |
|
O3 .514 .2283 .236 .018 |
|
OH1 .189 .5 .075 .010 |
|
OH2 .149 0 .423 .013 |
|
OH3 .142 .3361 .426 .012 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorite |
| |
Zanazzi P F, Montagnoli M, Nazzareni S, Comodi P |
|
American Mineralogist 92 (2007) 655-661 |
|
Structural effects of pressure on monoclinic chlorite: a single-crystal study |
|
Locality: Alpe Raguzzolo, Val Malenco, Italy |
|
Sample: P = 5.47 GPa |
|
_database_code_amcsd 0004290 |
|
5.237 9.078 14.00 90 96.64 90 C2/m |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .764 .008 |
|
FeM1 0 0 0 .085 .008 |
|
AlM1 0 0 0 .151 .008 |
|
MgM2 0 .3336 0 .764 .008 |
|
FeM2 0 .3336 0 .085 .008 |
|
AlM2 0 .3336 0 .151 .008 |
|
MgM3 0 .1659 .5 .764 .004 |
|
FeM3 0 .1659 .5 .085 .004 |
|
AlM3 0 .1659 .5 .151 .004 |
|
MgM4 0 .5 .5 .764 .007 |
|
FeM4 0 .5 .5 .085 .007 |
|
AlM4 0 .5 .5 .151 .007 |
|
SiT .229 .1670 .190 .794 .004 |
|
AlT .229 .1670 .190 .206 .004 |
|
O1 .186 .167 .071 .007 |
|
O2 .198 0 .237 .014 |
|
O3 .514 .225 .235 .020 |
|
OH1 .192 .5 .077 .008 |
|
OH2 .150 0 .423 .022 |
|
OH3 .140 .338 .421 .014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Nazzareni S, Comodi P, Bindi L, Safonov O G, Litvin Y A, Perchuk L L |
| |
American Mineralogist 93 (2008) 1429-1436 |
|
Synthetic hypersilicic Cl-bearing mica in the phlogopite-celadonite join: |
|
a mulitmethodical characterization of the missing link between di- and tri- |
|
octahedral micas at high pressures |
|
Locality: synthetic |
|
_database_code_amcsd 0004636 |
|
5.299 9.167 10.226 90 100.06 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) |
|
K 0 0 0 .0404 .0370 .0363 .0484 0 .0087 0 |
|
Si .5762 .1670 .2287 .875 .0103 .0102 .0069 .0138 -.0001 .0018 -.0007 |
|
Al .5762 .1670 .2287 .125 .0103 .0102 .0069 .0138 -.0001 .0018 -.0007 |
|
MgM1 0 .5 .5 .852 .0080 .008 .0055 .0103 0 .0019 0 |
|
MgM2 0 .8320 .5 .935 .0145 .0164 .0102 .0175 0 .0048 0 |
|
O1 .8119 .2435 .1678 .0188 |
|
O2 .5428 0 .1685 .0166 |
|
O3 .6301 .1674 .3893 .0105 |
|
O4 .1328 0 .4002 .804 .0137 |
|
Cl .118 0 .3496 .196 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0004651 |
|
6.277 15.181 5.672 90 114.11 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .17050 .25 .0117 |
|
S 0 .32727 .75 .0099 |
|
O1 .08319 .27218 .59103 .0169 |
|
O2 .19997 .38195 .91298 .0169 |
|
OW -.20823 .06826 -.07831 .0241 |
|
H1 -.258 .087 -.234 .033 |
|
H2 -.244 .020 -.077 .044 |
|
|
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 0.25 GPa |
|
_database_code_amcsd 0004652 |
|
6.282 15.175 5.673 90 114.13 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1697 .25 .009 |
|
S 0 .3285 .75 .007 |
|
O1 .084 .272 .592 .012 |
|
O2 .200 .383 .914 .013 |
|
WatOW -.211 .066 -.081 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 0.33 GPa |
|
_database_code_amcsd 0004653 |
|
6.269 15.140 5.665 90 114.10 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1709 .25 .011 |
|
S 0 .3267 .75 .008 |
|
O1 .085 .273 .591 .010 |
|
O2 .200 .383 .916 .011 |
|
WatOW -.209 .066 -.082 .026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 0.56 GPa |
|
_database_code_amcsd 0004654 |
|
6.263 15.163 5.662 90 114.24 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1711 .25 .009 |
|
S 0 .3288 .75 .006 |
|
O1 .082 .276 .591 .010 |
|
O2 .203 .387 .917 .012 |
|
WatOW -.213 .069 -.082 .023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 1.01 GPa |
|
_database_code_amcsd 0004655 |
|
6.241 15.130 5.645 90 114.42 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1696 .25 .010 |
|
S 0 .3268 .75 .008 |
|
O1 .084 .272 .590 .009 |
|
O2 .200 .382 .915 .012 |
|
WatOW -.213 .063 -.080 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 2.03 GPa |
|
_database_code_amcsd 0004656 |
|
6.200 15.010 5.610 90 114.86 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1690 .25 .010 |
|
S 0 .3270 .75 .008 |
|
O1 .082 .271 .591 .014 |
|
O2 .201 .384 .918 .012 |
|
WatOW -.217 .064 -.079 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 3.15 GPa |
|
_database_code_amcsd 0004657 |
|
6.162 14.965 5.580 90 115.38 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1679 .25 .010 |
|
S 0 .3266 .75 .008 |
|
O1 .088 .270 .590 .012 |
|
O2 .205 .386 .920 .010 |
|
WatOW -.222 .062 -.078 .018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gypsum |
|
Comodi P, Nazzareni S, Zanazzi P F, Speziale S |
| |
American Mineralogist 93 (2008) 1530-1537 |
|
High-pressure behavior of gypsum: A single-crystal X-ray study |
|
Locality: Valle di Caramanico, Abruzzo, Italy |
|
Note: P = 3.94 GPa |
|
_database_code_amcsd 0004658 |
|
6.136 14.912 5.556 90 115.73 90 C2/c |
|
atom x y z Uiso |
|
Ca 0 .1672 .25 .009 |
|
S 0 .3255 .75 .005 |
|
O1 .084 .272 .589 .011 |
|
O2 .208 .384 .925 .013 |
|
WatOW -.226 .063 -.078 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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)
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View JMOL 3-D Structure
|
| |
|
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)
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View JMOL 3-D Structure
|
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 0.0001 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005060 |
|
9.8165 18.0126 5.3002 90 105.380 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) |
|
SiT1 .28484 .085290 .30361 .00866 .00910 .00813 .00838 -.00084 .00167 -.00030 |
|
SiT2 .29145 .172670 .81034 .00688 .00688 .00709 .00645 -.00064 .00139 .00051 |
|
FeM1 0 .07962 .5 .501 .01026 .00835 .01667 .00633 0 .00294 0 |
|
MgM1 0 .07962 .5 .499 .01026 .00835 .01667 .00633 0 .00294 0 |
|
MgM2 0 .17705 0 .800 .00693 .0076 .00643 .0069 0 .00211 0 |
|
FeM2 0 .17705 0 .200 .00693 .0076 .00643 .0069 0 .00211 0 |
|
MgM3 0 0 0 .682 .00730 .0089 .0061 .0060 0 .0003 0 |
|
FeM3 0 0 0 .318 .00730 .0089 .0061 .0060 0 .0003 0 |
|
CaM4 0 .27860 .5 .892 .01021 .0129 .0082 .01164 0 .00697 0 |
|
MgM4' 0 .2573 .5 .107 .016 |
|
NaAm .5282 0 .0586 .529 .055 .080 .0333 .086 0 .080 0 |
|
KA2 0 .4659 0 .050 .039 |
|
O1 .10776 .08648 .2195 .00929 .0085 .0103 .0089 -.0013 .0020 -.0005 |
|
O2 .11798 .17048 .7265 .00958 .0076 .0110 .0097 .0001 .0014 .0006 |
|
O3 .10423 0 .7154 .0127 .0103 .0146 .0118 0 .0006 0 |
|
O4 .36431 .25155 .7885 .01262 .0146 .0099 .0129 -.0022 .0030 .0012 |
|
O5 .35135 .14023 .1090 .01303 .0107 .0159 .0115 -.0003 .0012 .0048 |
|
O6 .34857 .11834 .6079 .01341 .0113 .0157 .0132 .0002 .0032 -.0045 |
|
O7 .34548 0 .2841 .0175 .0129 .0151 .0228 0 .0020 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 0.26 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005061 |
|
9.806 17.999 5.296 90 105.43 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2849 .08527 .3041 .0093 |
|
SiT2 .2912 .17274 .8102 .0074 |
|
FeM1 0 .08006 .5 .50 .0100 |
|
MgM1 0 .08006 .5 .50 .0100 |
|
MgM2 0 .17691 0 .80 .0077 |
|
FeM2 0 .17691 0 .20 .0077 |
|
MgM3 0 0 0 .68 .0082 |
|
FeM3 0 0 0 .32 .0082 |
|
CaM4 0 .27852 .5 .89 .0102 |
|
MgM4' 0 .262 .5 .11 .014 |
|
NaAm .0361 .5 .0674 .53 .029 |
|
KA2 0 .482 0 .05 .029 |
|
O1 .1082 .08631 .2199 .0087 |
|
O2 .1184 .17031 .7275 .0102 |
|
OH3 .1055 0 .7165 .0123 |
|
O4 .3642 .2517 .7877 .0123 |
|
O5 .3523 .1403 .1109 .0133 |
|
O6 .3491 .1183 .6096 .0128 |
|
O7 .3460 0 .2833 .0176 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 2.85 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005062 |
|
9.718 17.870 5.259 90 105.80 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2875 .0849 .3064 .0091 |
|
SiT2 .2917 .1729 .8113 .0090 |
|
FeM1 0 .0798 .5 .50 .0109 |
|
MgM1 0 .0798 .5 .50 .0109 |
|
MgM2 0 .1765 0 .80 .0061 |
|
FeM2 0 .1765 0 .20 .0061 |
|
MgM3 0 0 0 .68 .0107 |
|
FeM3 0 0 0 .32 .0107 |
|
CaM4 0 .2791 .5 .89 .0097 |
|
MgM4' 0 .261 .5 .062 .00 |
|
NaAm .063 .5 .112 .28 .026 |
|
KA2 0 .494 0 .20 .04 |
|
O1 .1106 .0851 .2199 .006 |
|
O2 .1200 .1700 .7282 .011 |
|
OH3 .107 0 .716 .012 |
|
O4 .3597 .2521 .7822 .010 |
|
O5 .3535 .1432 .1169 .016 |
|
O6 .3510 .1167 .6141 .010 |
|
O7 .350 0 .279 .013 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 3.74 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005063 |
|
9.691 17.831 5.247 90 105.92 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2870 .08517 .3069 .0110 |
|
SiT2 .2922 .17285 .8119 .0084 |
|
FeM1 0 .07991 .5 .50 .0140 |
|
MgM1 0 .07991 .5 .50 .0140 |
|
MgM2 0 .17607 0 .80 .0088 |
|
FeM2 0 .17607 0 .20 .0088 |
|
MgM3 0 0 0 .68 .0103 |
|
FeM3 0 0 0 .32 .0103 |
|
CaM4 0 .2781 .5 .89 .0122 |
|
MgM4' 0 .261 .5 .11 .014 |
|
NaAm .036 .5 .061 .53 .027 |
|
KA2 0 .475 0 .04 .027 |
|
O1 .1104 .0856 .2225 .0129 |
|
O2 .1181 .1696 .7262 .0127 |
|
OH3 .1110 0 .7191 .0151 |
|
O4 .3629 .2525 .7843 .0151 |
|
O5 .3534 .1420 .1162 .0159 |
|
O6 .3513 .1169 .6165 .0150 |
|
O7 .3495 0 .2819 .0180 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 4.31 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005064 |
|
9.675 17.804 5.240 90 105.98 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2874 .0853 .3077 .0060 |
|
SiT2 .2911 .1732 .8127 .0075 |
|
FeM1 0 .0799 .5 .50 .0078 |
|
MgM1 0 .0799 .5 .50 .0078 |
|
MgM2 0 .1758 0 .80 .0065 |
|
FeM2 0 .1758 0 .20 .0065 |
|
MgM3 0 0 0 .68 .0043 |
|
FeM3 0 0 0 .32 .0043 |
|
CaM4 0 .2793 .5 .89 .0085 |
|
MgM4' 0 .265 .5 .11 .013 |
|
NaAm .037 .5 .066 .53 .030 |
|
KA2 0 .497 0 .10 .00 |
|
O1 .1105 .0859 .2224 .002 |
|
O2 .1176 .1698 .729 .010 |
|
OH3 .107 0 .717 .008 |
|
O4 .3622 .2536 .783 .007 |
|
O5 .3533 .1437 .1189 .012 |
|
O6 .3505 .1164 .6169 .009 |
|
O7 .350 0 .280 .017 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 4.84 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005065 |
|
9.660 17.781 5.233 90 106.03 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2897 .0847 .3095 .007 |
|
SiT2 .2931 .1726 .8129 .008 |
|
FeM1 0 .0791 .5 .50 .008 |
|
MgM1 0 .0791 .5 .50 .008 |
|
MgM2 0 .1756 0 .80 .007 |
|
FeM2 0 .1756 0 .20 .007 |
|
MgM3 0 0 0 .68 .004 |
|
FeM3 0 0 0 .32 .004 |
|
CaM4 0 .2794 .5 .89 .007 |
|
MgM4' 0 .260 .5 .11 .000 |
|
NaAm .038 .5 .054 .53 .019 |
|
O1 .1097 .0860 .222 .002 |
|
O2 .116 .1693 .728 .009 |
|
OH3 .108 0 .717 .009 |
|
O4 .363 .2530 .787 .009 |
|
O5 .355 .1449 .119 .013 |
|
O6 .353 .1141 .622 .011 |
|
O7 .352 0 .276 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: FR12 P = 6.35 GPa |
|
Locality: an alkaline basalt of the Massif Central, France |
|
_database_code_amcsd 0005066 |
|
9.620 17.717 5.216 90 106.18 90 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2887 .0845 .3083 .007 |
|
SiT2 .2900 .1730 .8121 .008 |
|
FeM1 0 .0788 .5 .50 .008 |
|
MgM1 0 .0788 .5 .50 .008 |
|
MgM2 0 .1754 0 .80 .007 |
|
FeM2 0 .1754 0 .20 .007 |
|
MgM3 0 0 0 .68 .004 |
|
FeM3 0 0 0 .32 .004 |
|
CaM4 0 .2794 .5 .89 .007 |
|
MgM4' 0 .25 .5 .11 .000 |
|
NaAm .036 .5 .056 .53 .019 |
|
O1 .107 .0868 .218 .002 |
|
O2 .113 .1703 .727 .009 |
|
OH3 .111 0 .714 .009 |
|
O4 .365 .2534 .791 .009 |
|
O5 .356 .1457 .122 .013 |
|
O6 .352 .1152 .623 .011 |
|
O7 .350 0 .276 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 0.0001 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005067 |
|
9.866 18.054 5.318 90 105.22 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) |
|
SiT1 .28206 .085610 .30283 .00872 .00855 .00867 .00848 -.00092 .00140 -.00021 |
|
SiT2 .29118 .172748 .81140 .00694 .00651 .00774 .00626 -.00078 .00111 .00035 |
|
MgM1 0 .08477 .5 .604 .01264 .0090 .0228 .00656 .000 .00273 .000 |
|
FeM1 0 .08477 .5 .396 .01264 .0090 .0228 .00656 .000 .00273 .000 |
|
MgM2 0 .17755 0 .692 .00697 .0071 .00706 .00676 .000 .00180 .000 |
|
FeM2 0 .17755 0 .308 .00697 .0071 .00706 .00676 .000 .00180 .000 |
|
MgM3 0 0 0 .607 .00797 .0098 .0065 .0064 .000 .00011 .000 |
|
FeM3 0 0 0 .393 .00797 .0098 .0065 .0064 .000 .00011 .000 |
|
CaM4 0 .27899 .5 .924 .0114 .0130 .0108 .01245 .000 .00694 .000 |
|
FeM4' 0 .2567 .5 .120 .015 |
|
KAM .5358 0 .0701 .342 .0623 .086 .0448 .085 .000 .072 .000 |
|
NaA2 0 .4669 0 .055 .012 |
|
O1 .10672 .08809 .21790 .01098 .0090 .0134 .0101 -.0015 .0017 -.0005 |
|
O2 .11882 .17250 .73047 .01044 .0077 .0123 .0105 -.0001 .0009 .0012 |
|
O3 .10764 0 .7117 .0140 .0108 .0178 .0128 .000 .0019 .000 |
|
O4 .36636 .25070 .78898 .01346 .0160 .0110 .0132 -.0024 .0034 .0012 |
|
O5 .35050 .13952 .10879 .01342 .0102 .0172 .0117 .0002 .0007 .0056 |
|
O6 .34587 .11772 .60748 .01456 .0117 .0171 .0144 .0009 .0027 -.0049 |
|
O7 .34077 0 .2829 .0177 .0138 .0149 .0229 .000 .0020 .000 |
|
H .207 0 .743 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 0.67 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005068 |
|
9.841 18.019 5.307 90.00 105.330 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2816 .0857 .3040 .009 |
|
SiT2 .2906 .1725 .8123 .007 |
|
MgM1 0 .0849 .5 .60 .012 |
|
FeM1 0 .0849 .5 .40 .012 |
|
MgM2 0 .1772 0 .69 .007 |
|
FeM2 0 .1772 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2784 .5 .94 .012 |
|
FeM4' 0 .254 .5 .05 .015 |
|
KAM .538 0 .057 .27 .025 |
|
O1 .1056 .0868 .2174 .011 |
|
O2 .1195 .1726 .7326 .010 |
|
OH3 .116 0 .712 .013 |
|
O4 .3660 .2502 .7919 .014 |
|
O5 .3498 .1399 .1113 .012 |
|
O6 .3455 .1179 .6110 .013 |
|
O7 .336 0 .277 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 3.65 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005069 |
|
9.737 17.873 5.264 90.00 105.76 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2832 .0855 .3047 .009 |
|
SiT2 .2905 .1730 .8156 .007 |
|
MgM1 0 .0843 .5 .60 .012 |
|
FeM1 0 .0843 .5 .40 .012 |
|
MgM2 0 .1765 0 .69 .007 |
|
FeM2 0 .1765 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2777 .5 .94 .012 |
|
FeM4' 0 .269 .5 .05 .015 |
|
KAM .536 0 .054 .27 .025 |
|
O1 .1046 .0870 .220 .011 |
|
O2 .1175 .1717 .733 .010 |
|
OH3 .112 0 .720 .013 |
|
O4 .3658 .2517 .789 .014 |
|
O5 .3497 .1422 .114 .012 |
|
O6 .3490 .1166 .6172 .013 |
|
O7 .343 0 .278 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 4.54 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005070 |
|
9.710 17.833 5.253 90.00 105.85 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2871 .0851 .3060 .009 |
|
SiT2 .2914 .1734 .8150 .007 |
|
MgM1 0 .0835 .5 .60 .012 |
|
FeM1 0 .0835 .5 .40 .012 |
|
MgM2 0 .1770 0 .69 .007 |
|
FeM2 0 .1770 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2779 .5 .94 .012 |
|
FeM4' 0 .264 .5 .05 .015 |
|
KAM .534 0 .054 .27 .025 |
|
O1 .1054 .0872 .217 .011 |
|
O2 .1186 .1718 .732 .010 |
|
OH3 .121 0 .720 .013 |
|
O4 .367 .2510 .788 .014 |
|
O5 .354 .1431 .117 .012 |
|
O6 .351 .1148 .6217 .013 |
|
O7 .346 0 .275 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kaersutite |
|
Comopdi P, Boffa Ballaran T, Zanazzi P F, Capalbo C, Zanetti A, Nazzareni S |
| |
American Mineralogist 95 (2010) 1042-1051 |
|
The effect of oxo-component on the high-pressure behavior of amphiboles |
|
Sample: DL5 P = 5.42 GPa |
|
Locality: an alkaline basalt of Deadman Lake Volcanic Area, USA |
|
_database_code_amcsd 0005071 |
|
9.685 17.794 5.242 90.00 105.94 90.00 C2/m |
|
atom x y z occ Uiso |
|
SiT1 .2858 .0852 .3045 .009 |
|
SiT2 .2921 .1734 .8163 .007 |
|
MgM1 0 .0836 .5 .60 .012 |
|
FeM1 0 .0836 .5 .40 .012 |
|
MgM2 0 .1763 0 .69 .007 |
|
FeM2 0 .1763 0 .31 .007 |
|
MgM3 0 0 0 .61 .008 |
|
FeM3 0 0 0 .39 .008 |
|
CaM4 0 .2766 .5 .94 .012 |
|
FeM4' 0 .287 .5 .05 .015 |
|
KAM .528 0 .042 .27 .025 |
|
O1 .1073 .0871 .223 .011 |
|
O2 .1172 .1723 .735 .010 |
|
OH3 .117 0 .722 .013 |
|
O4 .368 .2522 .787 .014 |
|
O5 .3520 .1445 .119 .012 |
|
O6 .3459 .1153 .6179 .013 |
|
O7 .350 0 .278 .016 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di64 |
|
_database_code_amcsd 0007068 |
|
9.748 8.926 5.264 90 105.89 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30176 .25 .916 .0114 |
|
Na2 0 .30176 .25 .066 .0114 |
|
Mg1 0 .90721 .25 .926 .0080 |
|
Ti3+1 0 .90721 .25 .074 .0080 |
|
Si .28657 .09297 .22994 .980 .0068 |
|
B .28657 .09297 .22994 .009 .0068 |
|
Ti4+ .28657 .09297 .22994 .006 .0068 |
|
O1 .11589 .08672 .1426 .0086 |
|
O2 .36110 .25001 .3175 .0105 |
|
O3 .35070 .0171 .9968 .0096 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di80 |
|
_database_code_amcsd 0007069 |
|
9.756 8.929 5.269 90 106.06 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30201 .25 .820 .0133 |
|
Na2 0 .30201 .25 .168 .0133 |
|
Mg1 0 .90592 .25 .846 .0085 |
|
Ti4+1 0 .90592 .25 .118 .0085 |
|
Ti3+1 0 .90592 .25 .058 .0085 |
|
Si .28730 .09269 .23103 .941 .0077 |
|
Ti4+ .28730 .09269 .23103 .048 .0077 |
|
B .28730 .09269 .23103 .011 .0077 |
|
O1 .1156 .0861 .1422 .0089 |
|
O2 .3610 .2505 .3167 .0116 |
|
O3 .3508 .0160 .9990 .0104 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di81a |
|
_database_code_amcsd 0007070 |
|
9.747 8.922 5.278 90 106.10 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30170 .25 .872 .0108 |
|
Na2 0 .30170 .25 .118 .0108 |
|
Mg1 0 .90647 .25 .906 .0069 |
|
Ti3+1 0 .90647 .25 .078 .0069 |
|
Ti4+1 0 .90647 .25 .022 .0069 |
|
Si .28686 .09291 .23000 .970 .0060 |
|
Ti4+ .28686 .09291 .23000 .019 .0060 |
|
B .28686 .09291 .23000 .014 .0060 |
|
O1 .11546 .0863 .1420 .0072 |
|
O2 .36119 .2505 .3168 .0096 |
|
O3 .35071 .0168 .9974 .0090 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di72 |
|
_database_code_amcsd 0007071 |
|
9.748 8.926 5.281 90 106.09 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30230 .25 .784 .0152 |
|
Na2 0 .30230 .25 .190 .0152 |
|
Mg1 0 .90563 .25 .850 .0100 |
|
Ti3+1 0 .90563 .25 .104 .0100 |
|
Ti4+1 0 .90563 .25 .086 .0100 |
|
Si .28740 .09251 .23090 .946 .0092 |
|
Ti4+ .28740 .09251 .23090 .032 .0092 |
|
B .28740 .09251 .23090 .022 .0092 |
|
O1 .1159 .0854 .1422 .0108 |
|
O2 .3609 .2509 .3151 .0130 |
|
O3 .3509 .0157 .9992 .0126 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73 |
|
_database_code_amcsd 0007072 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .836 .0138 |
|
Na2 0 .30145 .25 .140 .0138 |
|
Mg1 0 .90640 .25 .892 .0097 |
|
Ti3+1 0 .90640 .25 .062 .0097 |
|
Ti4+1 0 .90640 .25 .056 .0097 |
|
Si .28714 .09287 .23021 .944 .0087 |
|
Ti4+ .28714 .09287 .23021 .044 .0087 |
|
B .28714 .09287 .23021 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3510 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73* |
|
_database_code_amcsd 0007073 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .844 .0139 |
|
Na2 0 .30145 .25 .128 .0139 |
|
Mg1 0 .90640 .25 .922 .0095 |
|
Ti3+1 0 .90640 .25 .056 .0095 |
|
Ti4+1 0 .90640 .25 .044 .0095 |
|
Si .28714 .09287 .23022 .944 .0087 |
|
Ti4+ .28714 .09287 .23022 .044 .0087 |
|
B .28714 .09287 .23022 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3511 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B |
| |
European Journal of Mineralogy 21 (2009) 581-589 |
|
Thermal behaviour of chlorite: an in situ single-crystal |
|
and powder diffraction study |
|
Locality: Val Malenco, Italy |
|
Note: T = 25 C |
|
_database_code_amcsd 0007298 |
|
5.327 9.233 14.381 90.2 97.2 89.97 C-1 |
|
atom x y z occ Uiso |
|
MgM1 0 0 0 .913 .0079 |
|
FeM1 0 0 0 .087 .0079 |
|
MgM2 .00106 .33371 -.00003 .912 .0089 |
|
FeM2 .00106 .33371 -.00003 .088 .0089 |
|
MgM3 -.00033 .16679 .49998 .940 .0085 |
|
FeM3 -.00033 .16679 .49998 .060 .0085 |
|
MgM4 0 .5 .5 .946 .0066 |
|
FeM4 0 .5 .5 .054 .0066 |
|
SiT1 .23159 .16805 .19168 .640 .0076 |
|
AlT1 .23159 .16805 .19168 .360 .0076 |
|
SiT2 .73199 .00125 .19169 .639 .0077 |
|
AlT2 .73199 .00125 .19169 .361 .0077 |
|
O1 .1928 .1675 .0768 .0099 |
|
O2 .6930 .0005 .0769 .0102 |
|
O3 .2133 .3350 .2329 .0163 |
|
O4 .5121 .1008 .2330 .0168 |
|
O5 .0121 .0687 .2330 .0166 |
|
O1 .6922 .3336 .0734 .0109 |
|
O2 .1521 -.0006 .4304 .0152 |
|
O3 .1382 .3374 .4303 .0158 |
|
O4 .6386 .1615 .4309 .0147 |
|
H1 .709 .335 .134 .037 |
|
H2 .132 .005 .375 .037 |
|
H3 .131 .338 .377 .037 |
|
H4 .620 .161 .375 .037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Clinochlore |
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Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B |
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European Journal of Mineralogy 21 (2009) 581-589 |
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Thermal behaviour of chlorite: an in situ single-crystal |
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and powder diffraction study |
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Locality: Val Malenco, Italy |
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Note: T = 301 C |
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_database_code_amcsd 0007299 |
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5.3454 9.2584 14.435 90.29 97.28 90.00 C-1 |
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atom x y z occ Uiso |
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MgM1 0 0 0 .913 .015 |
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FeM1 0 0 0 .087 .015 |
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MgM2 .0011 .3337 .0000 .912 .016 |
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FeM2 .0011 .3337 .0000 .088 .016 |
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MgM3 -.0002 .1671 .5001 .940 .023 |
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FeM3 -.0002 .1671 .5001 .060 .023 |
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MgM4 0 .5 .5 .946 .020 |
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FeM4 0 .5 .5 .054 .020 |
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SiT1 .2322 .1681 .1920 .640 .019 |
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AlT1 .2322 .1681 .1920 .360 .019 |
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SiT2 .7322 .0020 .1918 .639 .018 |
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AlT2 .7322 .0020 .1918 .361 .018 |
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O1 .1928 .1666 .0767 .016 |
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O2 .6925 .0013 .0769 .015 |
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O3 .2248 .3356 .2329 .028 |
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O4 .5078 .0960 .2328 .023 |
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O5 .0078 .0740 .2326 .026 |
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OH1 .6916 .3340 .0741 .017 |
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OH2 .1512 -.0008 .4300 .026 |
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OH3 .1370 .3370 .4297 .027 |
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OH4 .6361 .1615 .4301 .024 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Clinochlore |
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Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B |
| |
European Journal of Mineralogy 21 (2009) 581-589 |
|
Thermal behaviour of chlorite: an in situ single-crystal |
|
and powder diffraction study |
|
Locality: Val Malenco, Italy |
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Note: T = 399 C |
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_database_code_amcsd 0007300 |
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5.3504 9.2661 14.447 90.31 97.29 90.00 C-1 |
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atom x y z occ Uiso |
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MgM1 0 0 0 .913 .018 |
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FeM1 0 0 0 .087 .018 |
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MgM2 .0013 .3337 .0000 .912 .019 |
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FeM2 .0013 .3337 .0000 .088 .019 |
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MgM3 -.0003 .1670 .5000 .940 .026 |
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FeM3 -.0003 .1670 .5000 .060 .026 |
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MgM4 0 .5 .5 .946 .023 |
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FeM4 0 .5 .5 .054 .023 |
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SiT1 .2322 .1678 .1918 .640 .021 |
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AlT1 .2322 .1678 .1918 .360 .021 |
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SiT2 .7324 .0019 .1917 .639 .021 |
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AlT2 .7324 .0019 .1917 .361 .021 |
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O1 .1929 .1666 .0769 .020 |
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O2 .6926 .0008 .0770 .019 |
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O3 .2276 .3354 .2326 .032 |
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O4 .5062 .0949 .2326 .027 |
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O5 .0062 .0761 .2325 .028 |
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OH1 .6915 .3334 .0744 .021 |
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OH2 .1510 -.0014 .4297 .027 |
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OH3 .1374 .3364 .4297 .029 |
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OH4 .6365 .1619 .4301 .026 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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|
Clinochlore |
|
Zanazzi P F, Comodi P, Nazzareni S, Andreozzi G B |
| |
European Journal of Mineralogy 21 (2009) 581-589 |
|
Thermal behaviour of chlorite: an in situ single-crystal |
|
and powder diffraction study |
|
Locality: Val Malenco, Italy |
|
Note: T = 502 C |
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_database_code_amcsd 0007301 |
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5.3533 9.2778 14.464 90.30 97.27 90.00 C-1 |
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atom x y z occ Uiso |
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MgM1 0 0 0 .913 .021 |
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FeM1 0 0 0 .087 .021 |
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MgM2 .0009 .3335 -.0002 .912 .022 |
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FeM2 .0009 .3335 -.0002 .088 .022 |
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MgM3 -.0013 .1667 .5001 .940 .035 |
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FeM3 -.0013 .1667 .5001 .060 .035 |
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MgM4 0 .5 .5 .946 .031 |
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FeM4 0 .5 .5 .054 .031 |
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SiT1 .2318 .1681 .1915 .640 .024 |
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AlT1 .2318 .1681 .1915 .360 .024 |
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SiT2 .7325 .0024 .1916 .639 .023 |
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AlT2 .7325 .0024 .1916 .361 .023 |
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O1 .1928 .1673 .0767 .019 |
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O2 .6927 .0018 .0770 .022 |
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O3 .2298 .3360 .2326 .041 |
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O4 .5058 .0938 .2321 .033 |
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O5 .0066 .0778 .2324 .034 |
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OH1 .6912 .3343 .0741 .023 |
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OH2 .1501 -.0012 .4292 .034 |
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OH3 .1363 .3370 .4294 .037 |
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OH4 .6360 .1620 .4295 .033 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Mg3Si4O10(OH)2*H2O |
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Zanazzi P F, Comodi P, Nazzareni S, Rotiroti N, van Smaalen S |
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Physics and Chemistry of Minerals 34 (2007) 23-29 |
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Behavior of 10-A phase at low temperatures |
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Sample: T = 293 K |
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_database_code_amcsd 0009050 |
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5.3007 9.186 10.185 90 99.97 90 C2/m |
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atom x y z occ Uiso |
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Si .5767 .1668 .2305 .0129 |
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Mg1 0 .5 .5 .0131 |
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Mg2 0 .8338 .5 .0132 |
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O1 .8098 .2485 .1757 .0169 |
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O2 .5555 0 .1756 .0168 |
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O3 .6303 .1669 .3916 .0117 |
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OH4 .1322 0 .3950 .0127 |
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Wat5 .014 0 .026 .5 .030 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Mg3Si4O10(OH)2*H2O |
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Zanazzi P F, Comodi P, Nazzareni S, Rotiroti N, van Smaalen S |
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Physics and Chemistry of Minerals 34 (2007) 23-29 |
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Behavior of 10-A phase at low temperatures |
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Sample: T = 116 K |
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_database_code_amcsd 0009051 |
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5.3000 9.182 10.096 90 100.05 90 C2/m |
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atom x y z occ Uiso |
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Si .5753 .1665 .2284 .003 |
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Mg1 0 .5 .5 .005 |
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Mg2 0 .8337 .5 .005 |
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O1 .8105 .2456 .1719 .007 |
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O2 .5537 0 .1736 .009 |
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O3 .6301 .1667 .3917 .006 |
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OH4 .1310 0 .3922 .004 |
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Wat5 .014 0 .031 .5 .025 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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