|
Selenium |
 |
Marsh R E, Pauling L, McCullough J D |
 |
Acta Crystallographica 6 (1953) 71-75 |
|
The crystal structure of beta-selenium |
|
Locality: synthetic |
|
Note: structure known as beta phase |
|
Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246 |
|
_database_code_amcsd 0009152 |
|
12.85 8.07 9.31 90 93.13 90 P2_1/a |
|
atom x y z Biso |
|
Se1 .584 .315 .437 2.0 |
|
Se2 .477 .227 .246 2.0 |
|
Se3 .328 .398 .240 2.0 |
|
Se4 .352 .580 .050 2.0 |
|
Se5 .410 .831 .157 2.0 |
|
Se6 .590 .840 .142 2.0 |
|
Se7 .660 .754 .368 2.0 |
|
Se8 .710 .479 .334 2.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Cherin P, Unger P |
|
Acta Crystallographica B28 (1972) 313-317 |
|
Refinement of the crystal structure of alpha-monoclinic Se |
|
Locality: synthetic |
|
Sample: at T = 26 C |
|
Note: structure known as alpha phase |
|
_database_code_amcsd 0009424 |
|
9.054 9.083 11.601 90 90.81 90 P2_1/n |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Se1 .3209 .4840 .2362 .0495 .0468 .0584 .0111 -.0077 -.0019 |
|
Se2 .4254 .6625 .3569 .0387 .0508 .0700 -.0101 -.0056 -.0041 |
|
Se3 .3178 .6376 .5378 .0436 .0497 .0508 .0022 -.0177 .0030 |
|
Se4 .1343 .8186 .5529 .0448 .0455 .0588 -.0032 -.0105 -.0016 |
|
Se5 -.0862 .6904 .5203 .0400 .0567 .0453 -.0035 -.0001 .0030 |
|
Se6 -.1565 .7322 .3294 .0341 .0527 .0576 .0104 -.0100 .0034 |
|
Se7 -.0814 .5217 .2290 .0481 .0402 .0487 -.0088 -.0089 .0029 |
|
Se8 .1301 .5990 .1337 .0486 .0463 .0456 .0026 -.0060 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Wyckoff R W G |
| |
Crystal Structures 1 (1963) 7-83 |
|
Second edition. Interscience Publishers, New York, New York |
|
_database_code_amcsd 0011257 |
|
4.35517 4.35517 4.94945 90 90 120 P3_221 |
|
atom x y z |
|
Se .217 0 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 (permalink)
|
| |
|
Selenium |
|
Wyckoff R W G |
| |
Crystal Structures 1 (1963) 7-83 |
|
Second edition. Interscience Publishers, New York, New York |
|
Sample is the alpha form of the monoclinic phase |
|
_database_code_amcsd 0011259 |
|
9.05 9.07 11.61 90 90.767 90 P2_1/n |
|
atom x y z |
|
Se1 .321 .486 .237 |
|
Se2 .427 .664 .357 |
|
Se3 .317 .637 .535 |
|
Se4 .134 .820 .556 |
|
Se5 -.081 .686 .521 |
|
Se6 -.156 .733 .328 |
|
Se7 -.084 .520 .229 |
|
Se8 .131 .597 .134 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Wyckoff R W G |
| |
Crystal Structures 1 (1963) 7-83 |
|
Second edition. Interscience Publishers, New York, New York |
|
Sample is the beta form of the monoclinic phase |
|
_database_code_amcsd 0011260 |
|
12.85 8.07 9.31 90 93.133 90 P2_1/a |
|
atom x y z |
|
Se1 .584 .315 .437 |
|
Se2 .477 .227 .246 |
|
Se3 .328 .398 .240 |
|
Se4 .352 .580 .050 |
|
Se5 .410 .831 .157 |
|
Se6 .590 .840 .142 |
|
Se7 .660 .754 .368 |
|
Se8 .710 .479 .334 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Foss O, Janickis V |
| |
Dalton Transactions 1980 (1980) 624-627 |
|
Crystal structure of gamma-monoclinic selenium |
|
Locality: synthetic |
|
Note: structure known as gamma phase |
|
Note: gamma-monoclinic selenium is allotrope of cyclo-octaselenium |
|
_database_code_amcsd 0012427 |
|
15.018 14.713 8.789 90 93.61 90 P2_1/c |
|
atom x y z |
|
Se1 .18313 .14063 .03451 |
|
Se2 .22856 .28408 .12262 |
|
Se3 .35548 .31907 -.00548 |
|
Se4 .47826 .28776 .16131 |
|
Se5 .52853 .14438 .09345 |
|
Se6 .47966 .04033 .27102 |
|
Se7 .36296 -.02818 .15123 |
|
Se8 .22521 .04261 .23430 |
|
Se9 .09552 .48601 .14213 |
|
Se10 .01298 .58883 .27815 |
|
Se11 -.01931 .71476 .12135 |
|
Se12 .08347 .82945 .18553 |
|
Se13 .19177 .81338 .00963 |
|
Se14 .31020 .73961 .14402 |
|
Se15 .30834 .59137 .04778 |
|
Se16 .24353 .50553 .23353 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Cherin P, Unger P |
| |
Inorganic Chemistry 6 (1967) 1589-1591 |
|
The crystal structure of trigonal selenium |
|
Locality: synthetic |
|
_database_code_amcsd 0012674 |
|
4.3662 4.3662 4.9536 90 90 120 P3_121 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Se .2254 0 1/3 .0338 .0417 .03775 .02085 0 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)
|
| |
|
Selenium |
|
Miyamoto Y |
| |
Japanese Journal of Applied Physics 19 (1980) 1813-1819 |
|
Structure and phase transformation of rhombohedral selenium composed of Se6 molecules |
|
Locality: synthetic |
|
_database_code_amcsd 0012739 |
|
11.362 11.362 4.429 90 90 120 R-3 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Se .16021 .20227 .12045 .00462 .00404 .02795 .00212 -.00131 -.00146 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 66 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012740 |
|
3.965 3.965 3.091 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 76.9 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012741 |
|
3.937 3.937 3.044 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 86.2 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012742 |
|
3.908 3.908 2.985 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 87.9 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012743 |
|
3.8920 3.8920 2.9572 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 101.3 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012744 |
|
3.8704 3.8704 2.9123 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 110 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012745 |
|
3.834 3.834 2.848 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 120 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012746 |
|
3.829 3.829 2.791 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 130 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012747 |
|
3.838 3.838 2.695 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 140 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012748 |
|
3.850 3.850 2.645 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 142.5 GPa |
|
Note: structure known as beta-Po type, phase Se V |
|
_database_code_amcsd 0012749 |
|
3.844 3.844 2.635 90 90 120 R-3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 140 GPa |
|
Note: structure known as bcc, phase Se VI |
|
_database_code_amcsd 0012750 |
|
2.8220 2.8220 2.8220 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 142.5 GPa |
|
Note: structure known as bcc, phase Se VI |
|
_database_code_amcsd 0012751 |
|
2.8159 2.8159 2.8159 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 146.5 GPa |
|
Note: structure known as bcc, phase Se VI |
|
_database_code_amcsd 0012752 |
|
2.8076 2.8076 2.8076 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Akahama Y, Kobayashi M, Kawamura H |
| |
Japanese Journal of Applied Physics 31 (1992) 1621-1624 |
|
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa |
|
Locality: synthetic |
|
Sample: at P = 150 GPa |
|
Note: structure known as bcc, phase Se VI |
|
_database_code_amcsd 0012753 |
|
2.7941 2.7941 2.7941 90 90 90 Im3m |
|
atom x y z |
|
Se 0 0 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)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015161 |
|
4.368 4.368 4.958 90 90 120 P3_121 |
|
atom x y z |
|
Se .2254 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 2.58 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015162 |
|
4.052 4.052 5.038 90 90 120 P3_121 |
|
atom x y z |
|
Se .2373 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 4.15 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015163 |
|
3.956 3.956 5.069 90 90 120 P3_121 |
|
atom x y z |
|
Se .2481 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 4.99 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015164 |
|
3.910 3.910 5.080 90 90 120 P3_121 |
|
atom x y z |
|
Se .2490 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 6.57 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015165 |
|
3.846 3.846 5.095 90 90 120 P3_121 |
|
atom x y z |
|
Se .2493 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 7.70 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015166 |
|
3.810 3.810 5.110 90 90 120 P3_121 |
|
atom x y z |
|
Se .2486 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Selenium |
|
Keller R, Holzapfel W B, Schulz H |
| |
Physical Review B16 (1977) 4404-4412 |
|
Effect of pressure on the atom positions in Se and Te |
|
Locality: synthetic |
|
Sample: at P = 8.64 GPa |
|
Note: known as alpha phase with trigonal structure |
|
_database_code_amcsd 0015167 |
|
3.779 3.779 5.109 90 90 120 P3_121 |
|
atom x y z |
|
Se .2487 0 1/3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
