|
Sillimanite |
 |
Winter J K, Ghose S |
 |
American Mineralogist 64 (1979) 573-586 |
|
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs |
|
T = 25 deg C |
|
_database_code_amcsd 0000723 |
|
7.4883 7.6808 5.7774 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 0.0009 0.0019 0.0041 -.0001 .0000 -.0001 |
|
Al2 .1417 .3449 .25 0.0012 0.0024 0.0045 -.0001 0 0 |
|
Si .1533 .3402 .75 0.0008 0.0019 0.0045 -.0002 0 0 |
|
O1 .3605 .4094 .75 0.0012 0.0027 0.0055 -.0005 0 0 |
|
O2 .3569 .4341 .25 0.0012 0.0033 0.0047 -.0004 0 0 |
|
O3 .4763 .0015 .75 0.0030 0.0033 0.0089 -.0016 0 0 |
|
O4 .1252 .2230 .5145 0.0022 0.0025 0.0044 -.0005 .0000 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Winter J K, Ghose S |
|
American Mineralogist 64 (1979) 573-586 |
|
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs |
|
T = 400 deg C |
|
_database_code_amcsd 0000724 |
|
7.4932 7.7035 5.7872 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 0.0024 0.0036 0.0061 -.0001 -.0002 -.0001 |
|
Al2 .1415 .3455 .25 0.0026 0.0038 0.0067 -.0001 0 0 |
|
Si .1528 .3407 .75 0.0024 0.0032 0.0062 -.0004 0 0 |
|
O1 .3598 .4099 .75 0.0024 0.0051 0.0081 -.0010 0 0 |
|
O2 .3567 .4351 .25 0.0027 0.0053 0.0076 -.0012 0 0 |
|
O3 .4771 .0012 .75 0.0068 0.0070 0.0154 -.0036 0 0 |
|
O4 .1249 .2241 .5146 0.0051 0.0039 0.0065 -.0012 -.0002 -.0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Winter J K, Ghose S |
|
American Mineralogist 64 (1979) 573-586 |
|
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs |
|
T = 600 deg C |
|
_database_code_amcsd 0000725 |
|
7.4967 7.7136 5.7921 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 0.0031 0.0043 0.0068 .0000 -.0001 -.0001 |
|
Al2 .1414 .3459 .25 0.0034 0.0045 0.0074 -.0002 0 0 |
|
Si .1525 .3408 .75 0.0030 0.0040 0.0067 -.0005 0 0 |
|
O1 .3597 .4100 .75 0.0033 0.0063 0.0084 -.0016 0 0 |
|
O2 .3568 .4349 .25 0.0033 0.0062 0.0086 -.0012 0 0 |
|
O3 .4771 .0013 .75 0.0081 0.0080 0.0183 -.0047 0 0 |
|
O4 .1247 .2245 .5142 0.0061 0.0048 0.0073 -.0016 -.0003 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Winter J K, Ghose S |
|
American Mineralogist 64 (1979) 573-586 |
|
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs |
|
T = 800 deg C |
|
_database_code_amcsd 0000726 |
|
7.4998 7.7255 5.7978 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 0.0040 0.0053 0.0079 .0000 -.0002 -.0001 |
|
Al2 .1412 .3461 .25 0.0043 0.0054 0.0085 -.0003 0 0 |
|
Si .1523 .3410 .75 0.0037 0.0047 0.0080 -.0006 0 0 |
|
O1 .3594 .4100 .75 0.0040 0.0072 0.0107 -.0019 0 0 |
|
O2 .3570 .4352 .25 0.0040 0.0073 0.0100 -.0017 0 0 |
|
O3 .4777 .0005 .75 0.0103 0.0099 0.0215 -.0057 0 0 |
|
O4 .1247 .2250 .5145 0.0078 0.0056 0.0083 -.0019 -.0004 -.0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Winter J K, Ghose S |
|
American Mineralogist 64 (1979) 573-586 |
|
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs |
|
T = 1000 deg C |
|
_database_code_amcsd 0000727 |
|
7.503 7.739 5.804 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 0 0 0 0.0050 0.0062 0.0090 .0000 -.0002 -.0002 |
|
Al2 .1410 .3463 .25 0.0052 0.0065 0.0096 -.0003 0 0 |
|
Si .1520 .3413 .75 0.0044 0.0057 0.0088 -.0007 0 0 |
|
O1 .3596 .4106 .75 0.0052 0.0083 0.0117 -.0024 0 0 |
|
O2 .3566 .4363 .25 0.0051 0.0095 0.0102 -.0021 0 0 |
|
O3 .4783 .0006 .75 0.0129 0.0112 0.0259 -.0072 0 0 |
|
O4 .1248 .2249 .5142 0.0091 0.0062 0.0094 -.0022 -.0006 -.0001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Peterson R C, McMullan R K |
|
American Mineralogist 71 (1986) 742-745 |
|
Neutron diffraction studies of sillimanite |
|
_database_code_amcsd 0001016 |
|
7.479 7.670 5.769 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 0 0 0 .987 .0031 .0047 .0034 .0001 -.0003 .0001 |
|
Fe1 0 0 0 .013 .0031 .0047 .0034 .0001 -.0003 .0001 |
|
Al2 .1418 .3449 .25 .993 .0039 .0058 .0043 -.0002 0 0 |
|
Fe2 .1418 .3449 .25 .007 .0039 .0058 .0043 -.0002 0 0 |
|
Si .1535 .3402 .75 .0030 .0049 .0037 -.0004 0 0 |
|
OA .3600 .4088 .75 .0035 .0072 .0058 -.0016 0 0 |
|
OB .3563 .4340 .25 .0038 .0072 .0053 -.0013 0 0 |
|
OC .4765 .0017 .75 .0090 .0100 .0111 -.0050 0 0 |
|
OD .1256 .2232 .5144 .0061 .0056 .0045 -.0015 -.0002 -.0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Bish D L, Burnham C W |
|
American Mineralogist 77 (1992) 374-379 |
|
Rietveld refinement of the crystal structure of fibrolitic sillimanite using |
|
neutron powder diffraction data |
|
_database_code_amcsd 0001446 |
|
7.4841 7.6720 5.7707 90 90 90 Pbnm |
|
atom x y z occ Uiso |
|
Al1 0 0 0 0.0021 |
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Al2 .1428 .3433 .25 .91 0.0031 |
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Si2 .1428 .3433 .25 .09 0.0031 |
|
Si3 .1524 .3412 .75 .91 0.0028 |
|
Al3 .1524 .3412 .75 .09 0.0028 |
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OA .3607 .4069 .75 0.0017 |
|
OB .3554 .4361 .25 0.0023 |
|
OC .4783 .0035 .75 0.0087 |
|
OD .1256 .2222 .5131 0.0033 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
Sillimanite |
|
Yang H, Hazen R M, Finger L W, Prewitt C T, Downs R T |
| |
Physics and Chemistry of Minerals 25 (1997) 39-47 |
|
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure |
|
Sample: P = 0.00 GPa |
|
_database_code_amcsd 0008107 |
|
7.4857 7.6750 5.7751 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .37 |
|
Al2 .1417 .3452 .25 .44 |
|
Si .1532 .3404 .75 .42 |
|
OA .3602 .4089 .75 .52 |
|
OB .3566 .4339 .25 .55 |
|
OC .4767 .0009 .75 .91 |
|
OD .1255 .2232 .5145 .63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Yang H, Hazen R M, Finger L W, Prewitt C T, Downs R T |
| |
Physics and Chemistry of Minerals 25 (1997) 39-47 |
|
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure |
|
Sample: P = 1.23 GPa |
|
_database_code_amcsd 0008108 |
|
7.4732 7.6520 5.7631 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .34 |
|
Al2 .1414 .3444 .25 .47 |
|
Si .1536 .3394 .75 .43 |
|
OA .3611 .4069 .75 .60 |
|
OB .3554 .4348 .25 .48 |
|
OC .4758 .0010 .75 .87 |
|
OD .1255 .2228 .5150 .47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Yang H, Hazen R M, Finger L W, Prewitt C T, Downs R T |
| |
Physics and Chemistry of Minerals 25 (1997) 39-47 |
|
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure |
|
Sample: P = 2.54 GPa |
|
_database_code_amcsd 0008109 |
|
7.4537 7.6238 5.7560 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .31 |
|
Al2 .1411 .3437 .25 .38 |
|
Si .1541 .3395 .75 .44 |
|
OA .3618 .4062 .75 .59 |
|
OB .3557 .4336 .25 .39 |
|
OC .4748 .0021 .75 .81 |
|
OD .1262 .2219 .5141 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Yang H, Hazen R M, Finger L W, Prewitt C T, Downs R T |
| |
Physics and Chemistry of Minerals 25 (1997) 39-47 |
|
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure |
|
Sample: P = 3.72 GPa |
|
_database_code_amcsd 0008110 |
|
7.4345 7.5989 5.7507 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .31 |
|
Al2 .1409 .3434 .25 .39 |
|
Si .1543 .3389 .75 .43 |
|
OA .3620 .4060 .75 .54 |
|
OB .3559 .4334 .25 .51 |
|
OC .4745 .0028 .75 .78 |
|
OD .1266 .2211 .5152 .51 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Yang H, Hazen R M, Finger L W, Prewitt C T, Downs R T |
| |
Physics and Chemistry of Minerals 25 (1997) 39-47 |
|
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure |
|
Sample: P = 5.29 GPa |
|
_database_code_amcsd 0008111 |
|
7.4146 7.5739 5.7450 90 90 90 Pbnm |
|
atom x y z Biso |
|
Al1 0 0 0 .32 |
|
Al2 .1405 .3427 .25 .41 |
|
Si .1548 .3386 .75 .47 |
|
OA .3633 .4055 .75 .53 |
|
OB .3551 .4330 .25 .60 |
|
OC .4728 .0031 .75 .76 |
|
OD .1269 .2204 .5146 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Sillimanite |
|
Taylor W |
| |
Zeitschrift fur Kristallographie 68 (1928) 503-521 |
|
The structure of sillimanite and mullite. |
|
_cod_database_code 1011204 |
|
_database_code_amcsd 0018074 |
|
7.43 7.58 5.74 90 90 90 Pbnm |
|
atom x y z |
|
Al1 0 0 0 |
|
Al2 -.14 .33 .25 |
|
Si1 .18 -.35 .25 |
|
O1 .11 .12 .25 |
|
O2 -.1 -.16 .25 |
|
O3 .08 .46 .25 |
|
O4 .15 -.18 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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