#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:37:12 +0300 (Thu, 26 Apr 2018) $ #$Revision: 511 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000063.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000063 loop_ _publ_author_name 'Burns, P. C.' _publ_section_title ; The structure of edoylerite determined from a microcrystal ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 113 _journal_page_last 118 _journal_volume 37 _journal_year 1999 _chemical_compound_source R060543 _chemical_formula_sum 'Cr Hg3 O4 S2' _chemical_name_mineral Edoylerite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 118.746 _cell_angle_gamma 90 _cell_length_a 7.5283 _cell_length_b 14.8325 _cell_length_c 7.4629 _cell_volume 730.634 _exptl_crystal_density_diffrn 7.108 _cod_original_formula_sum 'Hg3 Cr S2 O4' _cod_database_code 9004520 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R060543.rod _rod_data_source.block 3500000 _rod_database.code 1000063 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9004520 COD http://www.crystallography.net/cod/9004520.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 93.97052 0.0000000E+00 94.45264 9.485840 94.93475 13.56445 95.41687 19.49512 95.89898 31.23291 96.38110 45.77881 96.86321 60.86914 97.34533 71.63135 97.82745 67.80273 98.30956 66.98730 98.79168 69.92627 99.27380 76.88867 99.75591 85.79932 100.2380 96.62061 100.7201 111.5957 101.2023 132.7124 101.6844 159.1904 102.1665 185.4214 102.6486 213.4263 103.1307 239.3062 103.6128 258.9795 104.0950 271.3774 104.5771 279.8135 105.0592 283.9194 105.5413 284.3804 106.0234 282.1445 106.5055 277.0005 106.9877 269.5562 107.4698 263.0815 107.9519 257.7734 108.4340 253.6440 108.9161 249.5029 109.3982 245.5850 109.8804 244.8818 110.3625 245.4180 110.8446 249.7817 111.3267 256.0244 111.8088 257.9873 112.2909 258.5972 112.7731 257.7026 113.2552 251.6362 113.7373 241.7271 114.2194 229.1450 114.7015 216.0366 115.1836 202.1533 115.6658 187.5698 116.1479 171.9517 116.6300 154.5405 117.1121 134.9907 117.5942 114.4209 118.0763 97.62549 118.5584 85.29785 119.0406 74.17725 119.5227 64.36572 120.0048 55.56104 120.4869 46.63623 120.9690 36.95166 121.4511 27.48828 121.9333 19.89941 122.4154 14.11670 122.8975 9.765137 123.3796 7.557129 123.8617 7.547363 124.3438 6.601074 124.8260 2.755859 125.3081 1.835938 125.7902 4.553711 126.2723 3.101074 126.7544 0.1059570 127.2365 0.7246090 127.7187 8.634766 128.2008 13.92725 128.6829 11.37012 129.1650 5.078125 129.6471 0.6992190 130.1292 2.020996 130.6114 8.433594 131.0935 12.24854 131.5756 11.47949 132.0577 9.540527 132.5398 7.747559 133.0219 5.884277 133.5041 2.752930 133.9862 2.897949 134.4683 11.50928 134.9504 17.47510 135.4325 19.35938 135.9146 20.65918 136.3968 23.64502 136.8789 28.22559 137.3610 32.57617 137.8431 36.54248 138.3252 40.50146 138.8073 43.30273 139.2895 42.87988 139.7716 42.68018 140.2537 46.80371 140.7358 56.85547 141.2179 68.76416 141.7000 76.11768 142.1821 79.33301 142.6643 82.87305 143.1464 89.59424 143.6285 97.23730 144.1106 101.6440 144.5927 100.7739 145.0748 98.16211 145.5570 98.30078 146.0391 101.1743 146.5212 103.5171 147.0033 102.4370 147.4854 96.35059 147.9675 89.31201 148.4497 81.44043 148.9318 73.80566 149.4139 67.37646 149.8960 61.69141 150.3781 56.48193 150.8602 52.75732 151.3424 50.97070 151.8245 50.51221 152.3066 47.45020 152.7887 44.35400 153.2708 43.78809 153.7529 46.55664 154.2351 50.74072 154.7172 51.49805 155.1993 43.54102 155.6814 38.43066 156.1635 38.83350 156.6456 41.71582 157.1278 43.27930 157.6099 41.54541 158.0920 37.52246 158.5741 35.56104 159.0562 37.16162 159.5383 38.75000 160.0205 39.22705 160.5026 39.00928 160.9847 39.17969 161.4668 40.46973 161.9489 42.54541 162.4310 43.82715 162.9131 43.66260 163.3953 43.38916 163.8774 43.84961 164.3595 44.97900 164.8416 46.07666 165.3237 46.82373 165.8058 47.20215 166.2880 47.22803 166.7701 46.89062 167.2522 46.22900 167.7343 45.23975 168.2164 43.90918 168.6985 42.34375 169.1807 39.79688 169.6628 37.22021 170.1449 36.00928 170.6270 37.27832 171.1091 39.86816 171.5912 41.15479 172.0734 40.89941 172.5555 39.67236 173.0376 37.05420 173.5197 33.93213 174.0018 31.58301 174.4839 30.82861 174.9661 31.47266 175.4482 32.29102 175.9303 34.20996 176.4124 35.16992 176.8945 34.82422 177.3766 33.19336 177.8588 30.01221 178.3409 24.63379 178.8230 16.96924 179.3051 13.15332 179.7872 16.15967 180.2693 20.01123 180.7515 23.43213 181.2336 26.29492 181.7157 28.91992 182.1978 31.69385 182.6799 34.75195 183.1620 35.05078 183.6441 31.30176 184.1263 26.83740 184.6084 22.46191 185.0905 18.35938 185.5726 15.09570 186.0547 14.12207 186.5368 16.46143 187.0190 17.25684 187.5011 15.41211 187.9832 12.34082 188.4653 8.663086 188.9474 4.708496 189.4296 1.113281 189.9117 1.770996 190.3938 3.895996 190.8759 5.062500 191.3580 5.262695 191.8401 4.242188 192.3223 0.8056640 192.8044 5.759766 193.2865 10.87402 193.7686 8.085449 194.2507 0.2592770 194.7328 7.439453 195.2150 11.11523 195.6971 12.33105 196.1792 12.96191 196.6613 12.96240 197.1434 12.89014 197.6255 12.83496 198.1077 12.92480 198.5898 13.68506 199.0719 16.53320 199.5540 20.63525 200.0361 22.11035 200.5182 19.34912 201.0004 15.87061 201.4825 13.43604 201.9646 11.86035 202.4467 10.69434 202.9288 9.517090 203.4109 8.333008 203.8930 7.935547 204.3752 9.949707 204.8573 10.99658 205.3394 8.847168 205.8215 4.604980 206.3036 0.9785160 206.7857 0.5839840 207.2679 3.685547 207.7500 5.133789 208.2321 2.496094 208.7142 0.3237300 209.1963 0.6166990 209.6784 2.747070 210.1606 4.787109 210.6427 4.974609 211.1248 3.093750 211.6069 1.106445 212.0890 0.5971680 212.5711 2.691406 213.0533 6.101563 213.5354 10.25439 214.0175 13.44043 214.4996 13.68652 214.9817 10.07666 215.4638 10.00781 215.9460 14.97217 216.4281 21.22412 216.9102 28.16650 217.3923 35.11035 217.8744 40.53027 218.3565 42.64453 218.8387 40.88721 219.3208 41.14453 219.8029 43.20752 220.2850 47.16846 220.7671 53.58203 221.2492 62.23242 221.7314 71.70752 222.2135 80.59570 222.6956 88.92285 223.1777 99.55371 223.6598 114.2388 224.1419 129.9004 224.6240 144.7622 225.1062 158.6558 225.5883 170.7339 226.0704 178.6470 226.5525 183.5444 227.0346 193.8164 227.5167 212.8047 227.9989 235.6489 228.4810 257.9795 228.9631 279.5435 229.4452 301.6802 229.9273 324.3179 230.4094 348.2236 230.8916 375.6777 231.3737 405.8232 231.8558 440.2852 232.3379 481.7847 232.8200 530.9263 233.3021 582.9458 233.7843 634.1172 234.2664 686.7065 234.7485 744.8906 235.2306 810.6099 235.7127 881.5381 236.1948 956.1479 236.6770 1035.925 237.1591 1114.620 237.6412 1190.140 238.1233 1263.166 238.6054 1334.482 239.0875 1404.120 239.5697 1472.452 240.0518 1538.531 240.5339 1600.930 241.0160 1666.610 241.4981 1735.236 241.9802 1809.476 242.4624 1892.936 242.9445 1986.927 243.4266 2089.446 243.9087 2196.659 244.3908 2306.843 244.8729 2426.902 245.3550 2559.585 245.8372 2700.840 246.3193 2847.073 246.8014 2997.180 247.2835 3153.375 247.7656 3321.138 248.2477 3498.238 248.7299 3693.477 249.2120 3906.299 249.6941 4135.450 250.1762 4381.279 250.6583 4644.295 251.1404 4921.060 251.6226 5211.540 252.1047 5524.558 252.5868 5826.944 253.0689 6138.921 253.5510 6427.340 254.0331 6683.445 254.5153 6899.374 254.9974 7054.169 255.4795 7118.334 255.9616 7091.627 256.4437 6959.275 256.9258 6709.932 257.4080 6387.954 257.8901 6000.051 258.3722 5558.594 258.8543 5095.665 259.3364 4650.137 259.8185 4211.750 260.3007 3821.860 260.7828 3473.742 261.2649 3163.888 261.7470 2891.859 262.2291 2655.894 262.7112 2457.126 263.1934 2297.050 263.6755 2182.127 264.1576 2087.751 264.6397 2012.493 265.1218 1954.008 265.6039 1913.996 266.0861 1891.114 266.5682 1880.511 267.0503 1877.684 267.5324 1882.521 268.0145 1897.464 268.4966 1928.228 268.9788 1961.823 269.4609 1993.373 269.9430 2022.128 270.4251 2048.370 270.9072 2072.096 271.3893 2093.034 271.8715 2114.210 272.3536 2137.923 272.8357 2159.579 273.3178 2178.787 273.7999 2194.501 274.2820 2204.652 274.7642 2208.057 275.2463 2204.615 275.7284 2192.098 276.2105 2172.729 276.6926 2144.568 277.1747 2106.458 277.6568 2058.913 278.1389 2002.612 278.6211 1937.218 279.1032 1864.425 279.5853 1790.359 280.0674 1709.522 280.5495 1633.730 281.0316 1567.583 281.5138 1508.267 281.9959 1450.254 282.4780 1390.878 282.9601 1332.619 283.4422 1284.005 283.9243 1249.234 284.4065 1214.099 284.8886 1175.244 285.3707 1134.468 285.8528 1094.058 286.3349 1054.578 286.8170 1016.436 287.2992 980.0215 287.7813 945.3608 288.2634 912.5000 288.7455 884.4810 289.2276 857.2261 289.7097 826.5527 290.1919 791.5503 290.6740 752.1943 291.1561 706.2920 291.6382 652.7153 292.1203 602.8052 292.6024 559.6084 293.0846 519.4536 293.5667 478.5190 294.0488 436.1826 294.5309 395.2603 295.0130 358.5264 295.4951 326.1753 295.9773 294.3271 296.4594 260.0586 296.9415 228.2407 297.4236 203.6890 297.9057 186.1743 298.3878 170.3462 298.8700 152.5112 299.3521 133.2354 299.8342 116.0234 300.3163 101.5005 300.7984 88.50000 301.2805 76.66064 301.7627 65.84131 302.2448 55.18311 302.7269 44.02100 303.2090 32.87207 303.6911 23.05615 304.1732 14.45312 304.6554 7.136230 305.1375 1.727539 305.6196 2.291016 306.1017 6.619629 306.5838 12.37451 307.0659 17.73926 307.5481 18.49658 308.0302 13.62891 308.5123 9.339844 308.9944 8.593750 309.4765 9.517578 309.9586 9.314941 310.4408 7.496094 310.9229 3.516113 311.4050 4.673828 311.8871 17.30371 312.3692 27.60303 312.8513 31.84521 313.3335 34.12598 313.8156 39.72510 314.2977 49.45605 314.7798 59.87598 315.2619 67.45312 315.7440 72.47852 316.2262 79.45654 316.7083 88.33643 317.1904 99.56934 317.6725 114.1353 318.1546 131.9106 318.6367 150.6763 319.1188 169.0225 319.6010 187.2139 320.0831 206.5791 320.5652 225.7295 321.0473 247.4443 321.5294 273.2583 322.0115 302.8667 322.4937 336.0537 322.9758 373.2119 323.4579 413.1304 323.9400 451.5073 324.4221 486.7559 324.9042 524.3091 325.3864 567.2061 325.8685 613.6328 326.3506 661.3066 326.8327 710.1372 327.3148 758.0708 327.7969 803.4102 328.2791 848.1611 328.7612 881.7603 329.2433 900.7021 329.7254 908.0322 330.2075 905.3599 330.6896 892.9673 331.1718 875.5869 331.6539 856.4141 332.1360 835.3184 332.6181 817.9287 333.1002 802.9917 333.5823 792.9946 334.0645 788.4609 334.5466 789.9966 335.0287 800.4824 335.5108 822.6880 335.9929 856.0542 336.4750 892.4980 336.9572 931.1133 337.4393 973.5635 337.9214 1019.545 338.4035 1069.945 338.8856 1126.184 339.3677 1188.693 339.8499 1257.696 340.3320 1335.074 340.8141 1425.438 341.2962 1514.678 341.7783 1601.904 342.2604 1685.758 342.7426 1767.122 343.2247 1845.977 343.7068 1914.315 344.1889 1961.982 344.6710 1987.731 345.1531 1987.471 345.6353 1957.537 346.1174 1903.453 346.5995 1823.791 347.0816 1722.053 347.5637 1609.023 348.0458 1493.311 348.5280 1374.119 349.0101 1267.207 349.4922 1172.326 349.9743 1086.743 350.4564 1009.580 350.9385 942.1313 351.4207 887.2544 351.9028 847.3257 352.3849 819.4609 352.8670 792.4165 353.3491 767.6265 353.8312 742.5947 354.3134 716.6963 354.7955 690.8818 355.2776 666.4614 355.7597 643.7349 356.2418 620.9502 356.7239 594.8364 357.2061 562.6035 357.6882 532.7832 358.1703 503.4668 358.6524 477.8818 359.1345 458.7910 359.6166 445.8706 360.0987 436.6348 360.5808 428.3896 361.0630 420.7720 361.5451 417.0879 362.0272 418.2544 362.5093 422.5283 362.9914 429.1284 363.4735 438.2842 363.9557 451.1748 364.4378 468.8682 364.9199 489.8579 365.4020 507.8149 365.8841 522.8677 366.3662 534.3555 366.8484 541.7183 367.3305 545.8530 367.8126 547.1040 368.2947 545.7720 368.7768 543.0586 369.2589 540.5522 369.7411 537.9292 370.2232 536.3901 370.7053 536.1274 371.1874 536.6646 371.6695 539.8828 372.1516 544.3608 372.6338 545.3589 373.1159 538.6763 373.5980 524.4751 374.0801 506.6211 374.5622 485.6548 375.0443 459.4756 375.5265 424.1499 376.0086 384.2744 376.4907 346.7788 376.9728 314.6279 377.4549 286.9639 377.9370 261.4414 378.4192 237.1885 378.9013 217.8228 379.3834 206.9941 379.8655 199.7544 380.3476 192.6182 380.8297 184.8984 381.3119 177.8970 381.7940 171.9956 382.2761 167.2471 382.7582 167.6167 383.2403 176.6953 383.7224 187.6431 384.2046 195.5171 384.6867 201.0830 385.1688 207.3774 385.6509 216.3828 386.1330 227.1421 386.6151 238.0825 387.0973 249.7754 387.5794 259.4497 388.0615 266.5322 388.5436 270.1436 389.0257 268.6079 389.5078 261.6606 389.9900 249.2607 390.4721 229.1118 390.9542 202.1304 391.4363 176.3462 391.9184 154.3999 392.4005 134.7764 392.8827 114.8521 393.3648 94.37500 393.8469 76.16943 394.3290 62.53564 394.8111 51.57227 395.2932 40.07227 395.7754 27.30908 396.2575 16.02979 396.7396 9.133301 397.2217 6.375977 397.7038 2.901855 398.1859 2.921875 398.6681 8.313965 399.1501 11.47754 399.6323 12.67432 400.1144 12.76074 400.5965 11.87842 401.0786 10.65186 401.5607 11.06055 402.0428 15.19043 402.5250 17.17871 403.0071 13.84473 403.4892 8.874512 403.9713 6.477051 404.4534 7.601563 404.9355 10.70703 405.4177 14.43506 405.8998 19.49121 406.3819 20.95947 406.8640 15.00586 407.3461 9.552246 407.8282 9.928223 408.3104 14.10840 408.7925 16.25244 409.2746 12.51074 409.7567 4.425293 410.2388 0.8735350 410.7209 2.273926 411.2031 2.010742 411.6852 1.432129 412.1673 5.497070 412.6494 7.668457 413.1315 7.356934 413.6136 5.911133 414.0958 4.888672 414.5779 4.103516 415.0600 4.513672 415.5421 8.013672 416.0242 10.93555 416.5063 12.68945 416.9885 12.70557 417.4706 9.628418 417.9527 1.651367 418.4348 9.189941 418.9169 15.39746 419.3990 14.26221 419.8812 14.49121 420.3633 20.68457 420.8454 28.34033 421.3275 33.30176 421.8096 34.54443 422.2917 34.02637 422.7739 32.99561 423.2560 31.52393 423.7381 31.51416 424.2202 34.04150 424.7023 36.95264 425.1844 38.67432 425.6666 39.37549 426.1487 39.67139 426.6308 39.09033 427.1129 38.56689 427.5950 39.38623 428.0771 41.54883 428.5593 45.37988 429.0414 53.17188 429.5235 61.61084 430.0056 63.50977 430.4877 55.97461 430.9698 48.53564 431.4520 46.69971 431.9341 48.21729 432.4162 48.34375 432.8983 45.78418 433.3804 42.75879 433.8625 41.67871 434.3447 42.75732 434.8268 45.02490 435.3089 49.69189 435.7910 54.45605 436.2731 58.12061 436.7552 60.58057 437.2374 61.84961 437.7195 61.86914 438.2016 60.82715 438.6837 59.48145 439.1658 56.99072 439.6479 55.28223 440.1301 55.03027 440.6122 55.34570 441.0943 55.16650 441.5764 54.43701 442.0585 54.27588 442.5406 56.23291 443.0227 60.81982 443.5049 63.90967 443.9870 65.25732 444.4691 65.35791 444.9512 62.96387 445.4333 59.69092 445.9154 58.07861 446.3976 59.54199 446.8797 62.94775 447.3618 66.02344 447.8439 68.97510 448.3260 70.91211 448.8081 69.96338 449.2903 69.15723 449.7724 70.89160 450.2545 75.03076 450.7366 79.02441 451.2187 80.39600 451.7008 79.88281 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