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Sulphur |
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Rettig S J, Trotter J |
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Acta Crystallographica C43 (1987) 2260-2262 |
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Refinement of the structure of orthorhombic sulfur, alpha-S8 |
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Locality: synthetic |
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Sample: at T = 298 K |
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Note: alpha phase |
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_database_code_amcsd 0010056 |
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10.4646 12.8660 24.4860 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .85584 -.04733 -.04854 .045 .0608 .0396 .0333 .0032 .0052 .0080 |
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S2 .70733 -.02023 .00409 .045 .0441 .0486 .0414 .0099 -.0053 .0017 |
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S3 .78415 .03022 .07623 .046 .0580 .0370 .0426 .0010 .0041 -.0090 |
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S4 .78596 -.09232 .12947 .043 .0336 .0623 .0338 -.0018 .0061 .0029 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Sulphur |
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Rettig S J, Trotter J |
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Acta Crystallographica C43 (1987) 2260-2262 |
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Refinement of the structure of orthorhombic sulfur, alpha-S8 |
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Locality: synthetic |
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Sample: at T = 298 K |
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Note: alpha phase |
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Note: coordinate positions of atoms correspond to high-angle refinements |
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_database_code_amcsd 0010057 |
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10.4646 12.8660 24.4860 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .85585 -.04732 -.04860 .044 .0598 .0390 .0326 .0031 .0048 .0079 |
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S2 .70723 -.02031 .00406 .044 .0439 .0478 .0411 .0096 -.0051 .0015 |
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S3 .78402 .03022 .07618 .045 .0572 .0366 .0424 .0011 .0061 -.0091 |
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S4 .78595 -.09239 .12947 .043 .0332 .0618 .0331 -.0021 .0058 .0028 |
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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 (permalink) |
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Sulphur |
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Crichton W A, Vaughan G B M, Mezouar M |
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Zeitschrift fur Kristallographie 216 (2001) 417-419 |
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In situ structure solution of helical sulphur at 3 GPa and 400 deg C |
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Locality: synthetic |
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P = 3 GPa, T = 400 C |
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_database_code_amcsd 0011091 |
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7.0897 7.0897 4.30238 90 90 120 P3_221 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .7727 .3067 .6105 .061 .108 .0277 .054 -.0077 -.0177 |
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S2 .8755 0 1/6 .074 .069 .033 .035 -.0032 -.006 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Sulphur |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 7-83 |
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Second edition. Interscience Publishers, New York, New York |
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_database_code_amcsd 0011255 |
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10.467 12.870 24.493 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z |
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S1 .8554 .9526 .9516 |
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S2 .7844 .0301 .0763 |
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S3 .7069 .9795 .0040 |
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S4 .7862 .9073 .1290 |
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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 (permalink) |
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Sulphur |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 7-83 |
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Second edition. Interscience Publishers, New York, New York |
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_database_code_amcsd 0011256 |
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10.818 10.818 4.280 90 90 120 R-3 |
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atom x y z |
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S .1454 .1882 .1055 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Sulphur |
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Templeton L K, Templeton D H, Zalkin A |
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Inorganic Chemistry 15 (1976) 1999-2001 |
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Crystal structure of monoclinic sulfur |
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Locality: synthetic |
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Note: this is known as the beta phase of sulfur |
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_database_code_amcsd 0012682 |
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10.926 10.855 10.790 90 95.92 90 P2_1/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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S1 .2333 .5251 .0299 .009949 .008168 .010613 .001208 .000364 .001352 |
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S2 .1538 .3555 .0070 .007281 .012475 .013131 -.002119 -.000664 .001330 |
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S3 .2572 .2523 -.1022 .012467 .009781 .008812 -.001462 -.003837 -.000687 |
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S4 .3720 .1439 .0134 .012870 .006153 .010895 -.001738 -.002486 .000172 |
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S5 .5398 .2283 .0381 .008996 .008211 .007510 .000911 .000429 -.000494 |
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S6 .5531 .3154 .2075 .009843 .008656 .006272 -.000127 -.001693 .000515 |
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S7 .5133 .4979 .1780 .009568 .007214 .009094 -.001992 .000043 -.001330 |
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S8 .3317 .5246 .2023 .011324 .009505 .008226 .000106 .001972 -.002382 |
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S9 .1783 -.1083 .0823 .5 .007620 .011881 .019317 .000636 -.003215 .001502 |
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S10 .0505 -.0710 .2039 .5 .016087 .014215 .011720 -.001272 -.002786 .006009 |
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S11 .0074 .1125 .1880 .5 .017145 .012306 .008248 -.000424 -.003858 -.001717 |
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S12 -.1553 .1273 .0790 .5 .009737 .013367 .009984 .001483 .002572 -.000215 |
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S13 -.1199 .1709 -.0981 .5 .010795 .009548 .009333 .000848 -.000643 .002575 |
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S14 -.1266 .0105 -.1966 .5 .010372 .016549 .008899 .000424 -.002143 -.003219 |
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S15 .0510 -.0466 -.2030 .5 .011642 .017186 .012371 .000000 .004501 -.002790 |
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S16 .0899 -.1822 -.0743 .5 .009949 .008911 .020619 .000424 .000643 -.002790 |
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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 (permalink) |
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