American Mineralogist Crystal Structure Database

11 matching records for this search.

Sulfur
 
Rettig S J, Trotter J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=2260
Acta Crystallographica C43 (1987) 2260-2262
Refinement of the structure of orthorhombic sulfur, alpha-S8
Locality: synthetic
Sample: at T = 298 K
Note: alpha phase
_database_code_amcsd 0010058
10.4646 12.8660 24.4860 90 90 90 *Fddd
.125 .125 .125
atom      x       y       z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .85584 -.04733 -.04854 .045  .0608  .0396  .0333  .0032  .0052  .0080
S2   .70733 -.02023  .00409 .045  .0441  .0486  .0414  .0099 -.0053  .0017
S3   .78415  .03022  .07623 .046  .0580  .0370  .0426  .0010  .0041 -.0090
S4   .78596 -.09232  .12947 .043  .0336  .0623  .0338 -.0018  .0061  .0029
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Sulfur
 
Rettig S J, Trotter J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=2260
Acta Crystallographica C43 (1987) 2260-2262
Refinement of the structure of orthorhombic sulfur, alpha-S8
Locality: synthetic
Sample: at T = 298 K
Note: alpha phase
Note: coordinate positions of atoms correspond to high-angle refinements
_database_code_amcsd 0010059
10.4646 12.8660 24.4860 90 90 90 *Fddd
.125 .125 .125
atom      x       y       z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .85585 -.04732 -.04860 .044  .0598  .0390  .0326  .0031  .0048  .0079
S2   .70723 -.02031  .00406 .044  .0439  .0478  .0411  .0096 -.0051  .0015
S3   .78402  .03022  .07618 .045  .0572  .0366  .0424  .0011  .0061 -.0091
S4   .78595 -.09239  .12947 .043  .0332  .0618  .0331 -.0021  .0058  .0028
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Sulfur
 
Debaerdemaeker T, Kutoglu A
 
Crystal Structure Communications 3 (1974) 611-613
Cyclooctadecasulfur, S18 (beta)
Locality: synthetic
Note: beta phase
_database_code_amcsd 0012330
10.75 7.25 12.25 90 92.3 90 P2_1/n
atom     x      y     z Biso
S1   .8071  .0834 .0947 3.23
S2   .2101  .0189 .0645 2.94
S3   .1026  .2536 .0669 3.44
S4   .2137  .4591 .0089 3.49
S5   .3150  .5638 .1457 3.74
S6   .4932  .4513 .1510 3.97
S7   .4853  .2265 .2582 3.36
S8   .5109 -.0014 .1598 3.63
S9   .6958 -.0777 .1906 3.26
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Sulfur
 
Warren B, Burwell J
 
Journal of Chemical Physics 3 (1935) 6-8
The structure of rhombic sulphur
_cod_database_code 1011160
_database_code_amcsd 0018039
10.48 12.92 24.54999 90 90 90 Fddd
atom     x    y    z
S1   -.017 .083 .072
S2   -.094 .161   .2
S3   -.167 .105 .125
S4   -.094 .028  .25
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Sulfur
 
Donohue J, Caron A, Goldish E
 
Journal of the American Chemical Society 83 (1961) 3748-3751
The crystal and molecular structure of S6 (sulfur-6)
Locality: synthetic
_database_code_amcsd 0014103
10.818 10.818 4.280 90 90 120 R-3
atom     x     y     z Biso
S    .1454 .1882 .1055 -.89
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Sulfur
 
Luo H, Greene R G, Ruoff A L
 
Physical Review Letters 71 (1993) 2943-2946
Beta-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa
Locality: synthetic
Sample: at P = 206.5 GPa
Note: this is known as the Beta-Po phase of sulfur, stable above 162 GPa
_database_code_amcsd 0015277
3.277 3.277 2.584 90 90 120 R-3m
atom x y z
S    0 0 0
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Sulfur
 
Schmidt V M, Wilhelm E, Debaerdemaeker T, Hellner E, Kutoglu A
 
Zeitschrift fur Anorganische und Allgemeine Chemie 405 (1974) 153-162
Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und
cycloikosaschwefel, S20
Locality: synthetic
Note: structure for S18
_database_code_amcsd 0015780
21.152 11.441 7.581 90 90 90 P2_12_12_1
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
S1   .5141 .3251 .7159 .00128 .00496 .01566  .00000  .00031  .00144
S2   .5933 .2592 .5953 .00128 .00611 .01131 -.00031  .00015 -.00086
S3   .6684 .3434 .7108 .00139 .00706 .01653 -.00082  .00015  .00028
S4   .6944 .2473 .9290 .00167 .00649 .01609  .00072 -.00093 -.00115
S5   .6408 .3067 .1376 .00184 .00553 .01566  .00010  .00031  .00028
S6   .6868 .4495 .2425 .00167 .00630 .01522  .00062 -.00093 -.00086
S7   .6631 .5881 .0835 .00139 .00553 .01305 -.00031  .00062  .00028
S8   .5799 .6573 .1760 .00145 .00458 .01261  .00010  .00031 -.00057
S9   .5097 .5519 .0768 .00134 .00764 .01044 -.00020 -.00031  .00115
S10  .4867 .4399 .2794 .00145 .00477 .01653  .00020  .00031  .00172
S11  .4055 .5060 .3892 .00162 .00706 .01087 -.00010  .00046 -.00115
S12  .3321 .4203 .2673 .00139 .00668 .01305 -.00062  .00093  .00028
S13  .3055 .5164 .0498 .00156 .00649 .01435  .00093  .00000 -.00057
S14  .3603 .4591 .8423 .00178 .00515 .01348 -.00010  .00093  .00028
S15  .3163 .3108 .7464 .00173 .00553 .01131  .00031 -.00124 -.00028
S16  .3413 .1784 .9152 .00122 .00496 .01218  .00010  .00093  .00086
S17  .4236 .1065 .8245 .00128 .00439 .01305  .00000  .00078 -.00086
S18  .4945 .2121 .9192 .00134 .00802 .01044 -.00031 -.00062  .00115
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Sulfur
 
Schmidt V M, Wilhelm E, Debaerdemaeker T, Hellner E, Kutoglu A
 
Zeitschrift fur Anorganische und Allgemeine Chemie 405 (1974) 153-162
Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und
cycloikosaschwefel, S20
Locality: synthetic
Note: structure for S20
_database_code_amcsd 0015781
18.580 13.181 8.600 90 90 90 Pbcn
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
S1   .0546 .5242 .7177 .00427 .00590 .04360 -.00102  .00344  .00110
S2   .0973 .4002 .8211 .00296 .01050 .02670 -.00010 -.00078 -.00198
S3   .0912 .2890 .6563 .00202 .00604 .04022 -.00040  .00078 -.00220
S4   .1804 .3070 .5189 .00282 .01036 .02332 -.00040  .00031 -.00088
S5   .2630 .2405 .6338 .00173 .00892 .02839 -.00153 -.00125 -.00132
S6   .2599 .0888 .5834 .00166 .00992 .02569 -.00071  .00093 -.00176
S7   .1946 .0217 .7422 .00224 .00863 .02095 -.00010 -.00125  .00088
S8   .0914 .0299 .6560 .00144 .00518 .03143 -.00010  .00046 -.00022
S9   .0716 .8937 .5511 .00195 .00748 .01960  .00030 -.00015 -.00066
S10  .0543 .7921 .7257 .00195 .00532 .02670  .00081  .00046  .00110
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Sulfur
 
Steidel J, Pickardt J, Steudel R
 
Zeitschrift fur Naturforschung B33 (1978) 1554-1555
Redetermination of the crystal and molecular structure of cyclohexasulfur, S6
Locality: synthetic
Sample: at T = 183 K
_database_code_amcsd 0015833
10.766 10.766 4.225 90 90 120 R-3
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S    .1905 .1475 .3940  .0106  .0115  .0313  .0049  .0022  .0020
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Sulfur
 
Steudel R, Steidel J, Reinhardt R
 
Zeitschrift fur Naturforschung B38 (1983) 1548-1556
X-ray structural analyses of cyclodecasulfur (S10) and of a
cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10)
Locality: synthetic
Sample: at T = 163 K
_database_code_amcsd 0015839
12.533 10.275 12.776 90 37.98 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .5959 .2878 .7308  .0254  .0194  .0326 -.0007 -.0236  .0036
S2   .7609 .4401 .5640  .0218  .0201  .0289 -.0001 -.0182 -.0006
S3   .7657 .5517 .6931  .0264  .0253  .0437  .0034 -.0297 -.0044
S4   .5457 .6627 .8726  .0263  .0314  .0267  .0046 -.0216 -.0031
S5   .5947 .8144 .7321  .0263  .0209  .0355 -.0030 -.0251  .0003
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Sulfur
 
Steudel R, Steidel J, Reinhardt R
 
Zeitschrift fur Naturforschung B38 (1983) 1548-1556
X-ray structural analyses of cyclodecasulfur (S10) and of a
cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10)
Locality: synthetic
Sample: at T = 163 K
Note: structure pertaining to mix of S6 and S10
_database_code_amcsd 0015840
19.541 9.431 8.831 90 105.11 90 I2/a
atom      x      y       z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .19995 .27051  .01505  .0187  .0114  .0243 -.0012  .0090 -.0017
S2   .19912 .43643  .16974  .0253  .0139  .0152  .0037  .0067  .0012
S3   .11820 .56635  .05509  .0207  .0143  .0186  .0014  .0100  .0028
S4   .14744 .68845 -.11040  .0229  .0156  .0137 -.0028  .0054  .0009
S5   .20037 .85730  .01703  .0206  .0119  .0236  .0003  .0063 -.0041
S6   .03845 .44632  .33035  .0268  .0155  .0186 -.0017  .0132 -.0006
S7   .02108 .30167  .49180  .0260  .0100  .0182 -.0003  .0083  .0001
S8   .04652 .41784  .69666  .0291  .0129  .0146  .0001  .0032  .0002
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Total number of retrieved datasets: 11
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