|
Titanite |
 |
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
 |
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 1 atm |
|
_database_code_amcsd 0002101 |
|
6.5430 8.3918 6.3416 90 113.175 90 *A2/a |
|
0 .25 .25 |
|
atom x y z |
|
Ca .25 .42059 .25 |
|
SiVI .5 .25 .75 |
|
SiIV .75 .43657 .25 |
|
O1 .75 .3090 .75 |
|
O2 .9142 .3178 .4477 |
|
O3 .3958 .4500 .6531 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 1.0 GPa |
|
_database_code_amcsd 0002102 |
|
6.5297 8.3823 6.3227 90 113.087 90 *A2/a |
|
0 .25 .25 |
|
atom x y z |
|
Ca .25 .4202 .25 |
|
SiVI .5 .25 .75 |
|
SiIV .75 .4361 .25 |
|
O1 .75 .3098 .75 |
|
O2 .9201 .3184 .4481 |
|
O3 .3985 .4497 .6547 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 2.6 GPa |
|
_database_code_amcsd 0002103 |
|
6.5096 8.3636 6.2954 90 112.960 90 *A2/a |
|
0 .25 .25 |
|
atom x y z |
|
Ca .25 .4197 .25 |
|
SiVI .5 .25 .75 |
|
SiIV .75 .4378 .25 |
|
O1 .75 .3108 .75 |
|
O2 .915 .3178 .4461 |
|
O3 .408 .4510 .655 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 4.4 GPa |
|
_database_code_amcsd 0002104 |
|
6.4850 8.3431 6.2653 90 112.784 90 *A2/a |
|
0 .25 .25 |
|
atom x y z |
|
Ca .25 .4194 .25 |
|
SiVI .5 .25 .75 |
|
SiIV .75 .4378 .25 |
|
O1 .75 .3115 .75 |
|
O2 .928 .3191 .4475 |
|
O3 .396 .4507 .6514 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 5.8 GPa |
|
_database_code_amcsd 0002105 |
|
6.4699 8.3294 6.2444 90 112.688 90 *A2/a |
|
0 .25 .25 |
|
atom x y z |
|
Ca .25 .4191 .25 |
|
SiVI .5 .25 .75 |
|
SiIV .75 .4369 .25 |
|
O1 .75 .3098 .75 |
|
O2 .916 .3194 .4446 |
|
O3 .393 .4497 .6487 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sillimanite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0004109 |
|
7.48388 7.6726 5.76807 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .33 |
|
Al2 .14181 .3451 .25 .40 |
|
Si .15318 .3407 .75 .39 |
|
OA .3607 .4075 .75 .35 |
|
OB .3572 .4348 .25 .42 |
|
OC .4762 .0022 .75 .94 |
|
OD .1258 .2228 .5151 .54 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sillimanite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka |
|
Sample: P = 1.548 GPa |
|
_database_code_amcsd 0004110 |
|
7.46040 7.6395 5.75840 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .40 |
|
Al2 .14164 .3439 .25 .49 |
|
Si .15356 .3414 .75 .37 |
|
OA .3614 .4054 .75 .41 |
|
OB .3562 .4337 .25 .44 |
|
OC .4756 .0040 .75 .94 |
|
OD .1261 .2223 .5148 .61 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sillimanite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka |
|
Sample: P = 4.144 GPa |
|
_database_code_amcsd 0004111 |
|
7.42183 7.5868 5.74298 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .41 |
|
Al2 .1411 .3410 .25 .47 |
|
Si .15455 .3377 .75 .44 |
|
OA .3629 .4080 .75 .41 |
|
OB .3556 .4364 .25 .48 |
|
OC .4747 .0051 .75 .97 |
|
OD .1267 .2194 .5154 .59 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sillimanite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka |
|
Sample: P = 5.750 GPa |
|
_database_code_amcsd 0004112 |
|
7.39939 7.5576 5.73421 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .28 |
|
Al2 .14001 .3378 .25 .31 |
|
Si .15466 .3363 .75 .28 |
|
OA .3639 .4142 .75 .41 |
|
OB .3545 .4452 .25 .42 |
|
OC .4738 .0047 .75 .85 |
|
OD .1275 .2162 .5154 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sillimanite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Okkamitiya Sabaragamuiwa province, Sri Lanka |
|
Sample: P = 7.663 GPa |
|
_database_code_amcsd 0004113 |
|
7.3717 7.5243 5.72421 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .25 |
|
Al2 .1397 .3389 .25 .32 |
|
Si .1550 .3363 .75 .25 |
|
OA .3642 .4117 .75 .22 |
|
OB .3550 .4411 .25 .55 |
|
OC .4723 .0033 .75 .84 |
|
OD .1285 .2167 .5148 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0004114 |
|
7.7930 7.89734 5.55583 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2418 .44 |
|
Al2 .3703 .13879 .5 .41 |
|
Si .2465 .25237 0 .40 |
|
OA .4224 .3638 .5 .43 |
|
OB .4254 .3619 0 .42 |
|
OC .1017 .4012 0 .73 |
|
OD .2292 .1341 .2388 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 1.474 GPa |
|
_database_code_amcsd 0004115 |
|
7.7568 7.87268 5.54488 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .24198 .29 |
|
Al2 .3704 .13868 .5 .31 |
|
Si .2464 .25148 0 .28 |
|
OA .4217 .3630 .5 .3159 |
|
OB .4257 .3615 0 .36 |
|
OC .1018 .4004 0 .70 |
|
OD .2302 .13261 .2395 .45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 2.512 GPa |
|
_database_code_amcsd 0004116 |
|
7.7320 7.85659 5.53642 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2415 .31 |
|
Al2 .3700 .13868 .5 .31 |
|
Si .2466 .25092 0 .301 |
|
OA .4208 .3637 .5 .37 |
|
OB .4270 .3608 0 .34 |
|
OC .1044 .4001 0 .67 |
|
OD .2296 .1320 .2400 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 3.129 GPa |
|
_database_code_amcsd 0004117 |
|
7.7186 7.8467 5.5329 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .24182 .299 |
|
Al2 .3699 .13831 .5 .321 |
|
Si .2466 .25083 0 .294 |
|
OA .4203 .3631 .5 .33 |
|
OB .4272 .3601 0 .32 |
|
OC .1020 .3998 0 .71 |
|
OD .2296 .13146 .2394 .44 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 3.932 GPa |
|
_database_code_amcsd 0004118 |
|
7.7014 7.8354 5.52629 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2419 .31 |
|
Al2 .3702 .13830 .5 .31 |
|
Si .2472 .25020 0 .28 |
|
OA .4215 .3635 .5 .35 |
|
OB .4259 .3599 0 .38 |
|
OC .1045 .3996 0 .70 |
|
OD .2289 .1315 .2398 .40 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 5.441 GPa |
|
_database_code_amcsd 0004119 |
|
7.6704 7.81452 5.51589 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2417 .30 |
|
Al2 .3695 .13774 .5 .30 |
|
Si .2475 .24974 0 .30 |
|
OA .4203 .3633 .5 .3304 |
|
OB .4287 .3584 0 .33 |
|
OC .10377 .3999 0 .75 |
|
OD .2292 .1303 .2399 .39 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 7.565 GPa |
|
_database_code_amcsd 0004120 |
|
7.6313 7.78625 5.50175 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2418 .30 |
|
Al2 .3694 .1378 .5 .36 |
|
Si .2471 .2485 0 .37 |
|
OA .4194 .3621 .5 .39 |
|
OB .4290 .3568 0 .37 |
|
OC .1038 .3990 0 .64 |
|
OD .2291 .1290 .2391 .37 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andalusite |
|
Burt J B, Ross N L, Angel R J, Koch M |
|
American Mineralogist 91 (2006) 319-326 |
|
Equations of state and structures of andalusite |
|
to 9.8 GPa and sillimanite to 8.5 GPa |
|
Locality: Minas Gerais, Brazil |
|
Sample: P = 9.828 GPa |
|
_database_code_amcsd 0004121 |
|
7.5922 7.7600 5.4872 90 90 90 Pnnm |
|
atom x y z Biso |
|
Al1 0 0 .2418 .28 |
|
Al2 .3693 .1378 .5 .28 |
|
Si .2479 .24784 0 .28 |
|
OA .4187 .3631 .5 .33 |
|
OB .4309 .3562 0 .37 |
|
OC .1043 .4003 0 .77 |
|
OD .2288 .1285 .2393 .33 |
|
|
| 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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