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Phlogopite |
 |
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
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Sample: T = -263 C |
|
_database_code_amcsd 0009031 |
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5.3022 9.1833 10.1795 90 100.078 90 C2/m |
|
atom x y z occ Biso |
|
K 0 .5 0 .1 |
|
MgM1 0 0 .5 .76 .7 |
|
FeM1 0 0 .5 .14 .7 |
|
AlM1 0 0 .5 .06 .7 |
|
TiM1 0 0 .5 .04 .7 |
|
MgM2 0 .3301 .5 .76 .66 |
|
FeM2 0 .3301 .5 .14 .66 |
|
AlM2 0 .3301 .5 .06 .66 |
|
TiM2 0 .3301 .5 .04 .66 |
|
SiT .072 .1674 .2249 .69 .91 |
|
AlT .072 .1674 .2249 .31 .91 |
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O1 .0015 0 .1651 .95 |
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O2 .3238 .2246 .1677 .95 |
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O3 .1374 .1663 .3911 .23 |
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O4 .143 .5 .4012 .9 .82 |
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H .099 .5 .298 .9 1.8 |
|
F .143 .5 .4012 .1 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 25 C |
|
_database_code_amcsd 0009032 |
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5.3134 9.2042 10.2093 90 100.067 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 2.0 |
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MgM1 0 0 .5 .76 .9 |
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FeM1 0 0 .5 .14 .9 |
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AlM1 0 0 .5 .06 .9 |
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TiM1 0 0 .5 .04 .9 |
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MgM2 0 .3322 .5 .76 .44 |
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FeM2 0 .3322 .5 .14 .44 |
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AlM2 0 .3322 .5 .06 .44 |
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TiM2 0 .3322 .5 .04 .44 |
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SiT .075 .1665 .2246 .69 .88 |
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AlT .075 .1665 .2246 .31 .88 |
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O1 .004 0 .1630 2.1 |
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O2 .322 .2294 .1706 1.32 |
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O3 .124 .1672 .3907 .47 |
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O4 .131 .5 .4000 .9 1.4 |
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H .093 .5 .305 .9 4.2 |
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F .131 .5 .4000 .1 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 100 C |
|
_database_code_amcsd 0009033 |
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5.3181 9.2123 10.2202 90 100.070 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 2.5 |
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MgM1 0 0 .5 .76 .9 |
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FeM1 0 0 .5 .14 .9 |
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AlM1 0 0 .5 .06 .9 |
|
TiM1 0 0 .5 .04 .9 |
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MgM2 0 .3320 .5 .76 .5 |
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FeM2 0 .3320 .5 .14 .5 |
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AlM2 0 .3320 .5 .06 .5 |
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TiM2 0 .3320 .5 .04 .5 |
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SiT .076 .1664 .2247 .69 .95 |
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AlT .076 .1664 .2247 .31 .95 |
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O1 .008 0 .1634 2.3 |
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O2 .320 .2311 .1712 2.3 |
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O3 .127 .1672 .3905 .59 |
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O4 .133 .5 .3997 .9 1.5 |
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H .092 .5 .306 .9 6.2 |
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F .133 .5 .3997 .1 1.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 200 C |
|
_database_code_amcsd 0009034 |
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5.3247 9.2245 10.2371 90 100.079 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 3.1 |
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MgM1 0 0 .5 .76 .8 |
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FeM1 0 0 .5 .14 .8 |
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AlM1 0 0 .5 .06 .8 |
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TiM1 0 0 .5 .04 .8 |
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MgM2 0 .3326 .5 .76 .5 |
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FeM2 0 .3326 .5 .14 .5 |
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AlM2 0 .3326 .5 .06 .5 |
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TiM2 0 .3326 .5 .04 .5 |
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SiT .074 .1660 .2254 .69 .98 |
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AlT .074 .1660 .2254 .31 .98 |
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O1 .015 0 .163 2.5 |
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O2 .318 .2332 .1719 1.6 |
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O3 .124 .1668 .3909 .74 |
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O4 .130 .5 .39886 .9 1.5 |
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H .095 .5 .308 .9 6.7 |
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F .130 .5 .39886 .1 1.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 300 C |
|
_database_code_amcsd 0009035 |
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5.3312 9.2359 10.2541 90 100.084 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 4.0 |
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MgM1 0 0 .5 .76 1.0 |
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FeM1 0 0 .5 .14 1.0 |
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AlM1 0 0 .5 .06 1.0 |
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TiM1 0 0 .5 .04 1.0 |
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MgM2 0 .3330 .5 .76 .7 |
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FeM2 0 .3330 .5 .14 .7 |
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AlM2 0 .3330 .5 .06 .7 |
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TiM2 0 .3330 .5 .04 .7 |
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SiT .075 .1653 .2256 .69 1.07 |
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AlT .075 .1653 .2256 .31 1.07 |
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O1 .022 0 .164 2.8 |
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O2 .317 .2357 .1725 1.8 |
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O3 .123 .1665 .3904 .88 |
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O4 .130 .5 .3995 .9 1.6 |
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H .092 .5 .311 .9 8.8 |
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F .130 .5 .3995 .1 1.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 400 C |
|
_database_code_amcsd 0009036 |
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5.3377 9.2455 10.2729 90 100.093 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 4.4 |
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MgM1 0 0 .5 .76 1.0 |
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FeM1 0 0 .5 .14 1.0 |
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AlM1 0 0 .5 .06 1.0 |
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TiM1 0 0 .5 .04 1.0 |
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MgM2 0 .3336 .5 .76 .9 |
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FeM2 0 .3336 .5 .14 .9 |
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AlM2 0 .3336 .5 .06 .9 |
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TiM2 0 .3336 .5 .04 .9 |
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SiT .078 .1663 .2259 .69 1.08 |
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AlT .078 .1663 .2259 .31 1.08 |
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O1 .026 0 .164 3.0 |
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O2 .315 .2388 .1734 2.1 |
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O3 .123 .1671 .3909 1.07 |
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O4 .132 .5 .4001 .9 2.1 |
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H .091 .5 .303 .9 13.5 |
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F .132 .5 .4001 .1 2.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 500 C |
|
_database_code_amcsd 0009037 |
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5.3427 9.2537 10.2923 90 100.092 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 5.2 |
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MgM1 0 0 .5 .76 1.0 |
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FeM1 0 0 .5 .14 1.0 |
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AlM1 0 0 .5 .06 1.0 |
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TiM1 0 0 .5 .04 1.0 |
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MgM2 0 .3334 .5 .76 1.2 |
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FeM2 0 .3334 .5 .14 1.2 |
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AlM2 0 .3334 .5 .06 1.2 |
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TiM2 0 .3334 .5 .04 1.2 |
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SiT .079 .1660 .2255 .69 1.1 |
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AlT .079 .1660 .2255 .31 1.1 |
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O1 .031 0 .163 3.0 |
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O2 .315 .2408 .1737 2.5 |
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O3 .125 .1675 .3913 1.19 |
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O4 .132 .5 .4005 .9 2.5 |
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H .084 .5 .305 .9 15.9 |
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F .132 .5 .4005 .1 2.5 |
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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
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 600 C |
|
_database_code_amcsd 0009038 |
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5.3468 9.2616 10.3101 90 100.078 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 6.2 |
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MgM1 0 0 .5 .76 1.2 |
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FeM1 0 0 .5 .14 1.2 |
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AlM1 0 0 .5 .06 1.2 |
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TiM1 0 0 .5 .04 1.2 |
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MgM2 0 .3330 .5 .76 1.4 |
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FeM2 0 .3330 .5 .14 1.4 |
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AlM2 0 .3330 .5 .06 1.4 |
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TiM2 0 .3330 .5 .04 1.4 |
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SiT .080 .165 .2249 .69 1.30 |
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AlT .080 .165 .2249 .31 1.30 |
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O1 .036 0 .162 3.1 |
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O2 .314 .2421 .1746 2.8 |
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O3 .125 .1677 .3910 1.4 |
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O4 .133 .5 .4027 .9 2.8 |
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H .068 .5 .307 .9 31.4 |
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F .133 .5 .4027 .1 2.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 700 C |
|
_database_code_amcsd 0009039 |
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5.3497 9.2660 10.3250 90 100.075 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 0 6.5 |
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MgM1 0 0 .5 .76 1.1 |
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FeM1 0 0 .5 .14 1.1 |
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AlM1 0 0 .5 .06 1.1 |
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TiM1 0 0 .5 .04 1.1 |
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MgM2 0 .3336 .5 .76 1.7 |
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FeM2 0 .3336 .5 .14 1.7 |
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AlM2 0 .3336 .5 .06 1.7 |
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TiM2 0 .3336 .5 .04 1.7 |
|
SiT .081 .165 .2239 .69 1.47 |
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AlT .081 .165 .2239 .31 1.47 |
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O1 .042 0 .165 2.6 |
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O2 .315 .2426 .1734 3.3 |
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O3 .126 .1682 .3914 1.55 |
|
O4 .131 .5 .4024 .9 3.0 |
|
H .063 .5 .312 .9 39.7 |
|
F .131 .5 .4024 .1 3.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Chon C-M, Lee C-K, Song Y, Kim S A |
| |
Physics and Chemistry of Minerals 33 (2006) 289-299 |
|
Structural changes and oxidation of ferroan phlogopite with increasing |
|
temperature: in situ neutron powder diffraction and Fourier transform |
|
infrared spectroscopy |
|
Locality: Quebec, Canada |
|
Sample: T = 800 C |
|
_database_code_amcsd 0009040 |
|
5.3528 9.2708 10.3411 90 100.050 90 C2/m |
|
atom x y z occ Biso |
|
K 0 .5 0 6.7 |
|
MgM1 0 0 .5 .76 1.1 |
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FeM1 0 0 .5 .14 1.1 |
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AlM1 0 0 .5 .06 1.1 |
|
TiM1 0 0 .5 .04 1.1 |
|
MgM2 0 .3341 .5 .76 2.0 |
|
FeM2 0 .3341 .5 .14 2.0 |
|
AlM2 0 .3341 .5 .06 2.0 |
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TiM2 0 .3341 .5 .04 2.0 |
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SiT .077 .164 .2238 .69 1.54 |
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AlT .077 .164 .2238 .31 1.54 |
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O1 .039 0 .165 3.0 |
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O2 .314 .2435 .1735 3.5 |
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O3 .126 .1684 .3920 1.65 |
|
O4 .135 .5 .4040 .9 3.4 |
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H .047 .5 .309 .9 57.7 |
|
F .135 .5 .4040 .1 3.4 |
|
|
| 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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B2 Ba O6 Ti |
| |
Zhang S, Wu X, Chen X, He M, Cao Y, Song Y, Ni D |
| |
Materials Research Bulletin 38 (2003) 783-788 |
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A structural study of BaTi(BO3)2 |
|
_cod_database_code 1100054 |
|
_database_code_amcsd 0018237 |
|
5.0205 5.0205 16.3844 90 90 120 P-3 |
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atom x y z |
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Ba 0 0 0 |
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Ti 0 0 .5 |
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B 0 0 -.2342 |
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O .3132 .1271 -.2365 |
|
|
| 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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