|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004454 |
|
11.4586 11.4586 11.4586 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0112 |
|
Al 0 0 0 .0056 |
|
Si .375 0 .25 .0057 |
|
O .0338 .0506 .6528 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 1.80 GPa |
|
_database_code_amcsd 0004455 |
|
11.4264 11.4264 11.4264 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0060 |
|
Al 0 0 0 .0062 |
|
Si .375 0 .25 .0093 |
|
O .0339 .0509 .6529 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 2.78 GPa |
|
_database_code_amcsd 0004456 |
|
11.4063 11.4063 11.4063 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0086 |
|
Al 0 0 0 .0052 |
|
Si .375 0 .25 .0064 |
|
O .0337 .0519 .6525 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 2.99 GPa |
|
_database_code_amcsd 0004457 |
|
11.3956 11.3956 11.3956 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0091 |
|
Al 0 0 0 .0040 |
|
Si .375 0 .25 .0068 |
|
O .0333 .0514 .6525 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 4.77 GPa |
|
_database_code_amcsd 0004458 |
|
11.3692 11.3692 11.3692 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0089 |
|
Al 0 0 0 .0041 |
|
Si .375 0 .25 .0074 |
|
O .0335 .05272 .6523 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 4.84 GPa |
|
_database_code_amcsd 0004459 |
|
11.3660 11.3660 11.3660 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0097 |
|
Al 0 0 0 .0059 |
|
Si .375 0 .25 .0067 |
|
O .0336 .0516 .6528 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 6.55 GPa |
|
_database_code_amcsd 0004460 |
|
11.3351 11.3351 11.3351 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0092 |
|
Al 0 0 0 .0051 |
|
Si .375 0 .25 .0064 |
|
O .0334 .0526 .6527 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.01 GPa |
|
_database_code_amcsd 0004461 |
|
11.3262 11.3262 11.3262 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0083 |
|
Al 0 0 0 .0049 |
|
Si .375 0 .25 .0062 |
|
O .0333 .0526 .6524 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.25 GPa |
|
_database_code_amcsd 0004462 |
|
11.3255 11.3255 11.3255 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0078 |
|
Al 0 0 0 .0040 |
|
Si .375 0 .25 .0054 |
|
O .0330 .0527 .6522 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.40 GPa |
|
_database_code_amcsd 0004463 |
|
11.3200 11.3200 11.3200 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0089 |
|
Al 0 0 0 .0042 |
|
Si .375 0 .25 .0074 |
|
O .0330 .0529 .6528 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Staurolite |
 |
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Mg-staurolite synthesized at 25 kbar |
|
_database_code_amcsd 0006726 |
|
7.8791 16.5425 5.6329 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
MgT2 .3877 0 .25 .53 .0155 |
|
AlT2 .3877 0 .25 .04 .0155 |
|
SiT1 .1344 .1672 .25 .98 .0035 |
|
AlT1 .1344 .1672 .25 .02 .0035 |
|
AlM1 .5 .1737 0 .97 .0050 |
|
MgM1 .5 .1737 0 .03 .0050 |
|
AlM2 .2631 .4101 .25 .97 .0060 |
|
MgM2 .2631 .4101 .25 .03 .0060 |
|
AlM3 0 0 0 .43 .0057 |
|
MgM3 0 0 0 .03 .0057 |
|
MgM4 .5 0 0 .22 .0083 |
|
O1 .2361 0 .9770 .0086 |
|
O2 .2559 .1627 .0116 .0044 |
|
O3 .0043 .0856 .25 .0068 |
|
O4 .0205 .2508 .25 .0047 |
|
O5 .5253 .0934 .25 .0047 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 25 kbar |
|
_database_code_amcsd 0006727 |
|
7.8719 16.6231 5.6583 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
FeT2 .3942 0 .25 .71 .0149 |
|
AlT2 .3942 0 .25 .15 .0149 |
|
SiT1 .1324 .1654 .25 .95 .0039 |
|
AlT1 .1324 .1654 .25 .05 .0039 |
|
AlM1 .5 .1734 0 .97 .0050 |
|
FeM1 .5 .1734 0 .03 .0050 |
|
AlM2 .2681 .4106 .25 .97 .0060 |
|
FeM2 .2681 .4106 .25 .03 .0060 |
|
AlM3 0 0 0 .48 .0065 |
|
FeM4 .5 0 0 .05 .0135 |
|
O1 .2352 0 .9667 .0096 |
|
O2 .2532 .1614 .0143 .0060 |
|
O3 .0011 .0882 .25 .0084 |
|
O4 .0192 .2463 .25 .0059 |
|
O5 .5317 .0989 .25 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 5 kbar |
|
Note: These coordinates do not reproduce the reported bond lengths, but |
|
Koch-Muller tells me that the coordinates are correct, and the reported |
|
bond lengths were incorrect. |
|
_database_code_amcsd 0006728 |
|
7.8783 16.6172 5.6591 90 90 90 Ccmm |
|
atom x y z occ Uiso |
|
FeT2 .3952 0 .25 .78 .0149 |
|
AlT2 .3952 0 .25 .08 .0149 |
|
SiT1 .1307 .1648 .25 .95 .0039 |
|
AlT1 .1307 .1648 .25 .05 .0039 |
|
AlM1 .5 .1752 0 .97 .0050 |
|
FeM1 .5 .1752 0 .03 .0050 |
|
AlM2 .2696 .4105 .25 .97 .0060 |
|
FeM2 .2696 .4105 .25 .03 .0060 |
|
AlM3 0 0 0 .52 .0065 |
|
FeM4 .5 0 0 .01 .0135 |
|
O1 .2405 0 .9661 .0096 |
|
O2 .2544 .1626 .0138 .0060 |
|
O3 .0000 .0864 .25 .0084 |
|
O4 .0222 .2443 .25 .0059 |
|
O5 .5302 .0987 .25 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chloritoid |
|
Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
| |
European Journal of Mineralogy 12 (2000) 293-314 |
|
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
|
thermodynamic studies |
|
Sample: MKM-97-4 |
|
_database_code_amcsd 0006828 |
|
9.467 5.466 9.140 96.67 101.04 90.0 C-1 |
|
atom x y z occ |
|
AlM1A .25 .25 0 .9825 |
|
FeM1A .25 .25 0 .0175 |
|
AlM2A 0 .5 .5 |
|
FeM1B .0882 .7501 .0048 .51 |
|
MgM1B .0882 .7501 .0048 .485 |
|
AlM2B1 .25 .25 .5 |
|
AlM2B2 .25 .75 .5 |
|
SiT .4748 .4409 .3183 |
|
OH1A .1028 .4188 .0880 |
|
OH1B .2621 .9311 .0910 |
|
O1C .4336 .4438 .1335 |
|
O2A .3849 .2306 .3808 |
|
O2B .3961 .6682 .4015 |
|
O2C .1304 .0055 .4237 |
|
O2D .1446 .4775 .3495 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chloritoid |
|
Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
| |
European Journal of Mineralogy 12 (2000) 293-314 |
|
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
|
thermodynamic studies |
|
Sample: RO2 |
|
_database_code_amcsd 0006829 |
|
9.451 5.4674 18.159 90 101.4 90 C2/c |
|
atom x y z occ |
|
AlM1A .25 .25 0 .985 |
|
FeM1A .25 .25 0 .015 |
|
AlM2A 0 .4261 .25 |
|
FeM1B .0850 .7401 .0034 .43 |
|
MgM1B .0850 .7401 .0034 .56 |
|
AlM2B1 .2533 .6524 .2485 |
|
SiT .4669 .4036 .1602 |
|
OH1A .1146 .3987 .0540 |
|
OH1B .2616 .9346 .0461 |
|
O1C .4321 .4135 .0681 |
|
O2A .3966 .1689 .1963 |
|
O2B .3970 .6382 .1965 |
|
O2C .1418 .8910 .1915 |
|
O2D .1481 .4145 .1990 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chloritoid |
|
Koch-Muller M, Kahlenberg V, Schmidt C, Wirth R |
| |
Physics and Chemistry of Minerals 27 (2000) 703-712 |
|
Location of OH groups and oxidation processes in triclinic chloritoid |
|
_database_code_amcsd 0008491 |
|
5.4744 5.4766 9.1505 83.53 76.68 60.06 P-1 |
|
atom x y z occ Uiso |
|
AlM1A 0 0 0 .844 .009 |
|
FeM1A 0 0 0 .156 .009 |
|
AlM2A 0 .5 .5 .004 |
|
FeM1B .3304 -.6622 -.0012 .3505 .009 |
|
MnM1B .3304 -.6622 -.0012 .3505 .009 |
|
MgM1B .3304 -.6622 -.0012 .299 .009 |
|
AlM2B1 0 0 .5 .004 |
|
AlM2B2 .5 .5 .5 .005 |
|
SiT .4272 -.0001 -.3127 .005 |
|
O1A .0284 -.3046 -.1065 .012 |
|
H1A .0284 -.3046 -.1065 .012 |
|
O1B .7234 -.6954 -.1012 .013 |
|
H1B .7234 -.6954 -.1012 .013 |
|
O1C .3529 .0013 -.1280 .009 |
|
O2A .1263 .1619 -.3760 .005 |
|
O2B .6151 -.3252 -.3756 .004 |
|
O2C .6142 -.8373 -.3747 .004 |
|
O2D .1300 -.3325 -.4042 .005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Superhydrous Phase B |
| |
Koch-Muller M, Dera P, Fei Y, Hellwig H, Liu Z, Van Orman J, Wirth R |
| |
Physics and Chemistry of Minerals 32 (2005) 349-361 |
|
Polymorphic phase transition in Superhydrous Phase B |
|
Sample: MKM0105 |
|
Note: z(O6) corrected by authors |
|
_database_code_amcsd 0008972 |
|
14.024 5.109 8.733 90 90 90 Pnn2 |
|
atom x y z |
|
Mg1 .1731 .3279 .0053 |
|
Mg2A .1775 .8358 .1752 |
|
Mg2B .3240 .3461 .3242 |
|
Mg3A 0 .5000 .8286 |
|
Mg3B 0 .5000 .1870 |
|
Mg4A 0 0 .6625 |
|
Mg4B 0 0 .3455 |
|
Si1 0 0 .0077 |
|
Si2 .3766 .0141 .0051 |
|
O1 .4153 .7088 .9936 |
|
O2 .0783 .6931 .0050 |
|
O3A .2495 .0220 .3451 |
|
O3B .2552 .5120 .1620 |
|
O4A .0760 .1440 .1531 |
|
O4B .4298 .6470 .3619 |
|
O5A .4145 .1530 .1599 |
|
O5B .0889 .6850 .3479 |
|
O6 .2598 .0048 .0070 |
|
H1 .3 .6 .1 |
|
H2 .27 .18 .45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Superhydrous Phase B |
| |
Koch-Muller M, Dera P, Fei Y, Hellwig H, Liu Z, Van Orman J, Wirth R |
| |
Physics and Chemistry of Minerals 32 (2005) 349-361 |
|
Polymorphic phase transition in Superhydrous Phase B |
|
Sample: JIM252 |
|
_database_code_amcsd 0008973 |
|
13.991 5.097 8.715 90 90 90 Pnnm |
|
atom x y z occ |
|
Mg1 .1729 .3301 0 .82 |
|
Ni1 .1729 .3301 0 .18 |
|
Mg2 .1758 .8410 .1756 .82 |
|
Ni2 .1758 .8410 .1756 .18 |
|
Mg3 0 0 .3413 .82 |
|
Ni3 0 0 .3413 .18 |
|
Mg4 0 .5000 .1776 .82 |
|
Ni4 0 .5000 .1776 .18 |
|
Si1 0 0 0 |
|
Si2 .3765 .0144 0 |
|
O1 .2519 .5149 .1579 |
|
O2 .4152 .7103 0 |
|
O3 .0787 .6993 0 |
|
O4 .0731 .1428 .1452 |
|
O5 .4134 .1672 .1555 |
|
O6 .2577 .0051 0 |
|
D1 .3 .6 .1 .8 |
|
H1 .3 .6 .1 .2 |
|
|
| 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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