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Sulfur |
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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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10.4646 12.8660 24.4860 90 90 90 Fddd |
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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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Sulfur |
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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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10.4646 12.8660 24.4860 90 90 90 Fddd |
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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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Sulfur |
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Luo H, Greene R G, Ruoff A L |
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Physical Review Letters 71 (1993) 2943-2946 |
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Beta-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa |
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Locality: synthetic |
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Sample: at P = 206.5 GPa |
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Note: this is known as the Beta-Po phase of sulfur, stable above 162 GPa |
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3.277 3.277 2.584 90 90 120 R-3m |
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atom x y z |
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S 0 0 0 |
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Sulfur |
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Donohue J, Caron A, Goldish E |
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Journal of the American Chemical Society 83 (1961) 3748-3751 |
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The crystal and molecular structure of S6 (sulfur-6) |
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Locality: synthetic |
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10.818 10.818 4.280 90 90 120 R-3 |
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atom x y z Biso |
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S .1454 .1882 .1055 -.89 |
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Sulfur |
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Schmidt V M, Wilhelm E, Debaerdemaeker T, Hellner E, Kutoglu A |
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Zeitschrift fur Anorganische und Allgemeine Chemie 405 (1974) 153-162 |
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Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und |
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cycloikosaschwefel, S20 |
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Locality: synthetic |
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Note: structure for S18 |
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21.152 11.441 7.581 90 90 90 P2_12_12_1 |
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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) |
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S1 .5141 .3251 .7159 .00128 .00496 .01566 .00000 .00031 .00144 |
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S2 .5933 .2592 .5953 .00128 .00611 .01131 -.00031 .00015 -.00086 |
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S3 .6684 .3434 .7108 .00139 .00706 .01653 -.00082 .00015 .00028 |
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S4 .6944 .2473 .9290 .00167 .00649 .01609 .00072 -.00093 -.00115 |
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S5 .6408 .3067 .1376 .00184 .00553 .01566 .00010 .00031 .00028 |
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S6 .6868 .4495 .2425 .00167 .00630 .01522 .00062 -.00093 -.00086 |
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S7 .6631 .5881 .0835 .00139 .00553 .01305 -.00031 .00062 .00028 |
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S8 .5799 .6573 .1760 .00145 .00458 .01261 .00010 .00031 -.00057 |
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S9 .5097 .5519 .0768 .00134 .00764 .01044 -.00020 -.00031 .00115 |
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S10 .4867 .4399 .2794 .00145 .00477 .01653 .00020 .00031 .00172 |
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S11 .4055 .5060 .3892 .00162 .00706 .01087 -.00010 .00046 -.00115 |
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S12 .3321 .4203 .2673 .00139 .00668 .01305 -.00062 .00093 .00028 |
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S13 .3055 .5164 .0498 .00156 .00649 .01435 .00093 .00000 -.00057 |
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S14 .3603 .4591 .8423 .00178 .00515 .01348 -.00010 .00093 .00028 |
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S15 .3163 .3108 .7464 .00173 .00553 .01131 .00031 -.00124 -.00028 |
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S16 .3413 .1784 .9152 .00122 .00496 .01218 .00010 .00093 .00086 |
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S17 .4236 .1065 .8245 .00128 .00439 .01305 .00000 .00078 -.00086 |
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S18 .4945 .2121 .9192 .00134 .00802 .01044 -.00031 -.00062 .00115 |
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Sulfur |
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Schmidt V M, Wilhelm E, Debaerdemaeker T, Hellner E, Kutoglu A |
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Zeitschrift fur Anorganische und Allgemeine Chemie 405 (1974) 153-162 |
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Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und |
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cycloikosaschwefel, S20 |
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Locality: synthetic |
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Note: structure for S20 |
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18.580 13.181 8.600 90 90 90 Pbcn |
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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) |
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S1 .0546 .5242 .7177 .00427 .00590 .04360 -.00102 .00344 .00110 |
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S2 .0973 .4002 .8211 .00296 .01050 .02670 -.00010 -.00078 -.00198 |
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S3 .0912 .2890 .6563 .00202 .00604 .04022 -.00040 .00078 -.00220 |
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S4 .1804 .3070 .5189 .00282 .01036 .02332 -.00040 .00031 -.00088 |
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S5 .2630 .2405 .6338 .00173 .00892 .02839 -.00153 -.00125 -.00132 |
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S6 .2599 .0888 .5834 .00166 .00992 .02569 -.00071 .00093 -.00176 |
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S7 .1946 .0217 .7422 .00224 .00863 .02095 -.00010 -.00125 .00088 |
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S8 .0914 .0299 .6560 .00144 .00518 .03143 -.00010 .00046 -.00022 |
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S9 .0716 .8937 .5511 .00195 .00748 .01960 .00030 -.00015 -.00066 |
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S10 .0543 .7921 .7257 .00195 .00532 .02670 .00081 .00046 .00110 |
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Sulfur |
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Steidel J, Pickardt J, Steudel R |
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Zeitschrift fur Naturforschung B33 (1978) 1554-1555 |
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Redetermination of the crystal and molecular structure of cyclohexasulfur, S6 |
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Locality: synthetic |
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Sample: at T = 183 K |
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10.766 10.766 4.225 90 90 120 R-3 |
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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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S .1905 .1475 .3940 .0106 .0115 .0313 .0049 .0022 .0020 |
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Sulfur |
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Steudel R, Steidel J, Reinhardt R |
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Zeitschrift fur Naturforschung B38 (1983) 1548-1556 |
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X-ray structural analyses of cyclodecasulfur (S10) and of a |
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cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) |
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Locality: synthetic |
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Sample: at T = 163 K |
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12.533 10.275 12.776 90 37.98 90 C2/c |
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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 .5959 .2878 .7308 .0254 .0194 .0326 -.0007 -.0236 .0036 |
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S2 .7609 .4401 .5640 .0218 .0201 .0289 -.0001 -.0182 -.0006 |
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S3 .7657 .5517 .6931 .0264 .0253 .0437 .0034 -.0297 -.0044 |
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S4 .5457 .6627 .8726 .0263 .0314 .0267 .0046 -.0216 -.0031 |
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S5 .5947 .8144 .7321 .0263 .0209 .0355 -.0030 -.0251 .0003 |
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Sulfur |
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Steudel R, Steidel J, Reinhardt R |
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Zeitschrift fur Naturforschung B38 (1983) 1548-1556 |
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X-ray structural analyses of cyclodecasulfur (S10) and of a |
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cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) |
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Locality: synthetic |
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Sample: at T = 163 K |
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Note: structure pertaining to mix of S6 and S10 |
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19.541 9.431 8.831 90 105.11 90 I2/a |
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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 .19995 .27051 .01505 .0187 .0114 .0243 -.0012 .0090 -.0017 |
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S2 .19912 .43643 .16974 .0253 .0139 .0152 .0037 .0067 .0012 |
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S3 .11820 .56635 .05509 .0207 .0143 .0186 .0014 .0100 .0028 |
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S4 .14744 .68845 -.11040 .0229 .0156 .0137 -.0028 .0054 .0009 |
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S5 .20037 .85730 .01703 .0206 .0119 .0236 .0003 .0063 -.0041 |
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S6 .03845 .44632 .33035 .0268 .0155 .0186 -.0017 .0132 -.0006 |
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S7 .02108 .30167 .49180 .0260 .0100 .0182 -.0003 .0083 .0001 |
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S8 .04652 .41784 .69666 .0291 .0129 .0146 .0001 .0032 .0002 |
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Sulfur |
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Debaerdemaeker T, Kutoglu A |
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Crystal Structure Communications 3 (1974) 611-613 |
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Cyclooctadecasulfur, S18 (beta) |
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Locality: synthetic |
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Note: beta phase |
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10.75 7.25 12.25 90 92.3 90 P2_1/n |
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atom x y z Biso |
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S1 .8071 .0834 .0947 3.23 |
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S2 .2101 .0189 .0645 2.94 |
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S3 .1026 .2536 .0669 3.44 |
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S4 .2137 .4591 .0089 3.49 |
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S5 .3150 .5638 .1457 3.74 |
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S6 .4932 .4513 .1510 3.97 |
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S7 .4853 .2265 .2582 3.36 |
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S8 .5109 -.0014 .1598 3.63 |
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S9 .6958 -.0777 .1906 3.26 |
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