#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:34:35 +0300 (Thu, 24 May 2018) $ #$Revision: 738 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000242.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_1000242 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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 1000242 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 97.01495 0.0000000E+00 97.49707 5.359863 97.97919 13.82422 98.46130 23.44385 98.94342 25.03223 99.42554 14.93066 99.90765 5.117676 100.3898 3.291992 100.8719 18.23291 101.3540 38.34912 101.8361 48.83008 102.3182 51.23682 102.8004 46.41113 103.2825 34.27100 103.7646 22.02832 104.2467 7.640137 104.7288 5.363770 105.2109 8.612793 105.6931 0.4238280 106.1752 15.58203 106.6573 34.85645 107.1394 61.15039 107.6215 87.32666 108.1036 113.6963 108.5858 140.4170 109.0679 166.9399 109.5500 195.2163 110.0321 222.5952 110.5142 247.5098 110.9963 273.6147 111.4785 293.9272 111.9606 306.6289 112.4427 312.0859 112.9248 315.5913 113.4069 319.0786 113.8890 320.4692 114.3712 318.1514 114.8533 307.9189 115.3354 297.5161 115.8175 289.4673 116.2996 283.9790 116.7817 279.1143 117.2639 275.3154 117.7460 271.4531 118.2281 266.0874 118.7102 255.7920 119.1923 245.5742 119.6744 238.6221 120.1566 235.5396 120.6387 233.4985 121.1208 229.3545 121.6029 224.7222 122.0850 223.0347 122.5671 227.1743 123.0493 234.2573 123.5314 241.8457 124.0135 250.0859 124.4956 256.8638 124.9777 258.6255 125.4598 256.3970 125.9420 254.3584 126.4241 254.7227 126.9062 256.9937 127.3883 260.6787 127.8704 266.4062 128.3525 272.2861 128.8347 274.7515 129.3168 273.9893 129.7989 273.4565 130.2810 277.4302 130.7631 284.4561 131.2452 288.5659 131.7274 287.0303 132.2095 282.2910 132.6916 281.2656 133.1737 284.5171 133.6558 288.7573 134.1379 290.3843 134.6201 289.5469 135.1022 290.1641 135.5843 294.0259 136.0664 300.4512 136.5485 304.4087 137.0306 305.1802 137.5128 305.6875 137.9949 310.1270 138.4770 319.6865 138.9591 329.4385 139.4412 335.7891 139.9233 338.1890 140.4055 341.5488 140.8876 346.7427 141.3697 352.2065 141.8518 357.6191 142.3339 363.9097 142.8160 367.2329 143.2982 364.8594 143.7803 355.1948 144.2624 350.1587 144.7445 352.1987 145.2266 357.8916 145.7087 359.2993 146.1909 354.2212 146.6730 347.7651 147.1551 341.7734 147.6372 336.0391 148.1193 332.6646 148.6014 333.0908 149.0836 336.2114 149.5657 335.8647 150.0478 329.9326 150.5299 322.7388 151.0120 316.4604 151.4941 308.2515 151.9763 301.0273 152.4584 296.8789 152.9405 295.4595 153.4226 294.4683 153.9047 295.6504 154.3868 295.2378 154.8690 292.1777 155.3511 281.1079 155.8332 270.1187 156.3153 259.4204 156.7974 249.1855 157.2795 241.1113 157.7617 239.5044 158.2438 238.5752 158.7259 234.2153 159.2080 220.9541 159.6901 208.7266 160.1722 201.3496 160.6544 198.6992 161.1365 195.6675 161.6186 189.8120 162.1007 183.2192 162.5828 177.4175 163.0649 173.5337 163.5471 171.1416 164.0292 169.9941 164.5113 169.9248 164.9934 168.4351 165.4755 162.7295 165.9576 155.0923 166.4398 148.4600 166.9219 144.9854 167.4040 142.1870 167.8861 138.5254 168.3682 133.7964 168.8503 128.8218 169.3325 123.8936 169.8146 119.0752 170.2967 114.4614 170.7788 111.2266 171.2609 107.8330 171.7430 102.5522 172.2252 95.20020 172.7073 87.87744 173.1894 81.63525 173.6715 76.59473 174.1536 73.07715 174.6357 71.81641 175.1179 71.75293 175.6000 72.06055 176.0821 72.96582 176.5642 72.95020 177.0463 70.37793 177.5284 65.57031 178.0106 59.59082 178.4927 52.32910 178.9748 44.48438 179.4569 36.71582 179.9390 28.64062 180.4211 22.49219 180.9033 21.88574 181.3854 26.05176 181.8675 30.95215 182.3496 35.68945 182.8317 39.44336 183.3138 40.17383 183.7960 36.88574 184.2781 32.48242 184.7602 31.50977 185.2423 33.55957 185.7244 35.01953 186.2065 32.50879 186.6887 27.31348 187.1708 24.29883 187.6529 23.74805 188.1350 25.80371 188.6171 32.49316 189.0992 43.72852 189.5814 52.94727 190.0635 54.86426 190.5456 50.58203 191.0277 46.75098 191.5098 44.11230 191.9919 42.38770 192.4741 41.15332 192.9562 40.42969 193.4383 39.57129 193.9204 37.72168 194.4025 34.97070 194.8846 33.09668 195.3668 32.37598 195.8489 32.50586 196.3310 33.27734 196.8131 34.87500 197.2952 35.46777 197.7773 32.68555 198.2595 26.33398 198.7416 23.57520 199.2237 26.44922 199.7058 32.48047 200.1879 34.39746 200.6700 31.68652 201.1522 27.91211 201.6343 25.84863 202.1164 25.83789 202.5985 24.39355 203.0806 20.83301 203.5627 15.67090 204.0449 9.880859 204.5270 2.754883 205.0091 2.902344 205.4912 4.043945 205.9733 0.5429690 206.4554 1.851563 206.9376 1.955078 207.4197 9.573242 207.9018 16.36914 208.3839 22.76562 208.8660 27.12695 209.3481 27.59570 209.8303 22.91309 210.3124 19.32812 210.7945 17.31543 211.2766 16.80566 211.7587 18.00098 212.2408 22.05371 212.7230 25.21484 213.2051 24.83301 213.6872 20.23535 214.1693 14.45996 214.6514 7.264648 215.1335 0.6250000 215.6157 5.253906 216.0978 5.228516 216.5799 4.180664 217.0620 4.960938 217.5441 9.106445 218.0262 10.03613 218.5084 6.040039 218.9905 1.697266 219.4726 7.454102 219.9547 10.85840 220.4368 12.69336 220.9189 13.26953 221.4011 11.88965 221.8832 10.39746 222.3653 8.472656 222.8474 6.348633 223.3295 4.742188 223.8116 3.284180 224.2938 3.081055 224.7759 5.344727 225.2580 12.12891 225.7401 16.63379 226.2222 18.03418 226.7043 16.92383 227.1865 15.08984 227.6686 12.07910 228.1507 9.476563 228.6328 8.193359 229.1149 8.064453 229.5970 9.893555 230.0792 14.86328 230.5613 21.78809 231.0434 26.22070 231.5255 27.78809 232.0076 27.19238 232.4897 24.41797 232.9719 17.76270 233.4540 12.42578 233.9361 9.146484 234.4182 7.076172 234.9003 7.328649 235.3824 4.030273 235.8646 11.31543 236.3467 17.12109 236.8288 20.13770 237.3109 24.04199 237.7930 28.25488 238.2751 33.32324 238.7573 41.17480 239.2394 54.14258 239.7215 66.61816 240.2036 75.82227 240.6857 79.16992 241.1678 84.31934 241.6500 90.71387 242.1321 98.67383 242.6142 110.3027 243.0963 128.9971 243.5784 146.3896 244.0605 158.1514 244.5427 161.3789 245.0248 166.4590 245.5069 173.0859 245.9890 182.1416 246.4711 195.5615 246.9532 216.4521 247.4354 237.2119 247.9175 253.5928 248.3996 262.1895 248.8817 278.1504 249.3638 303.1104 249.8459 334.7666 250.3281 368.9150 250.8102 405.8555 251.2923 445.2461 251.7744 487.3506 252.2565 531.4160 252.7386 579.3506 253.2208 630.5059 253.7029 686.0762 254.1850 749.8467 254.6671 825.7490 255.1492 902.2549 255.6313 974.0293 256.1135 1038.704 256.5956 1110.368 257.0777 1187.970 257.5598 1274.358 258.0419 1365.761 258.5240 1467.585 259.0062 1574.829 259.4883 1689.088 259.9704 1808.925 260.4525 1924.381 260.9346 2029.146 261.4167 2135.318 261.8989 2258.313 262.3810 2402.803 262.8631 2548.602 263.3452 2688.708 263.8273 2825.663 264.3094 2969.431 264.7916 3121.892 265.2737 3281.308 265.7558 3449.060 266.2379 3624.604 266.7200 3808.279 267.2021 4007.103 267.6843 4217.755 268.1664 4412.143 268.6485 4585.764 269.1306 4751.059 269.6127 4919.094 270.0948 5093.704 270.5770 5249.403 271.0591 5379.739 271.5412 5486.711 272.0233 5585.355 272.5054 5678.286 272.9875 5750.256 273.4697 5789.452 273.9518 5794.675 274.4339 5776.084 274.9160 5738.310 275.3981 5676.012 275.8802 5570.095 276.3624 5420.134 276.8445 5233.582 277.3266 5009.629 277.8087 4746.681 278.2908 4470.561 278.7729 4179.149 279.2551 3881.200 279.7372 3600.392 280.2193 3335.525 280.7014 3090.418 281.1835 2863.952 281.6656 2656.166 282.1478 2471.582 282.6299 2311.903 283.1120 2171.979 283.5941 2045.258 284.0762 1931.580 284.5583 1828.795 285.0405 1736.791 285.5226 1654.938 286.0047 1575.960 286.4868 1498.484 286.9689 1427.928 287.4510 1380.560 287.9332 1354.456 288.4153 1312.027 288.8974 1232.333 289.3795 1124.841 289.8616 1023.650 290.3438 928.2881 290.8259 843.2021 291.3080 775.9629 291.7901 724.8701 292.2722 676.7891 292.7543 627.3203 293.2365 578.6357 293.7186 535.9971 294.2007 499.7197 294.6828 468.6035 295.1649 443.7266 295.6470 423.7314 296.1292 403.5312 296.6113 381.9326 297.0934 359.6348 297.5755 337.3477 298.0576 315.0703 298.5397 293.1924 299.0219 270.4736 299.5040 248.3633 299.9861 230.6924 300.4682 219.6064 300.9503 210.6035 301.4324 197.6934 301.9146 181.9775 302.3967 167.4854 302.8788 157.5684 303.3609 150.2822 303.8430 142.5928 304.3251 133.6836 304.8073 125.7451 305.2894 119.9775 305.7715 116.5508 306.2536 116.0342 306.7357 118.4375 307.2178 123.7822 307.7000 132.3584 308.1821 144.1855 308.6642 157.5732 309.1463 171.4131 309.6284 185.7031 310.1105 200.8047 310.5927 214.4502 311.0748 230.2959 311.5569 253.1338 312.0390 282.9541 312.5211 311.0557 313.0032 330.6182 313.4854 347.1768 313.9675 366.2979 314.4496 393.6436 314.9317 420.7402 315.4138 441.7109 315.8959 458.0537 316.3781 479.1621 316.8602 509.6855 317.3423 546.0859 317.8244 585.9814 318.3065 630.9033 318.7886 676.3418 319.2708 717.6104 319.7529 757.5303 320.2350 804.3652 320.7171 858.1465 321.1992 920.4492 321.6813 992.9229 322.1635 1079.345 322.6456 1167.225 323.1277 1253.423 323.6098 1339.511 324.0919 1428.585 324.5740 1525.843 325.0562 1620.464 325.5383 1711.987 326.0204 1804.168 326.5025 1877.479 326.9846 1931.846 327.4667 1966.271 327.9489 1980.535 328.4310 1978.021 328.9131 1952.237 329.3952 1900.533 329.8773 1822.824 330.3594 1727.941 330.8416 1604.984 331.3237 1475.268 331.8058 1353.552 332.2879 1238.708 332.7700 1132.654 333.2521 1031.368 333.7343 937.3438 334.2164 863.8799 334.6985 818.8164 335.1806 782.9775 335.6627 745.4619 336.1448 702.3340 336.6270 670.3389 337.1091 650.8984 337.5912 642.3408 338.0733 643.1455 338.5554 656.1807 339.0375 669.3320 339.5197 676.2783 340.0018 676.0801 340.4839 683.7686 340.9660 701.2207 341.4481 722.5137 341.9302 741.9102 342.4124 760.0605 342.8945 769.2822 343.3766 766.5088 343.8587 752.2998 344.3408 730.7852 344.8229 702.0801 345.3051 668.9316 345.7872 632.6123 346.2693 592.5967 346.7514 547.2139 347.2335 494.7236 347.7156 440.7998 348.1978 396.4521 348.6799 361.5117 349.1620 333.2607 349.6441 312.9199 350.1262 297.7656 350.6083 280.3535 351.0905 258.6709 351.5726 240.1367 352.0547 231.9932 352.5368 232.4512 353.0189 238.1982 353.5010 249.3711 353.9832 265.6025 354.4653 286.9600 354.9474 313.4746 355.4295 340.6318 355.9116 362.9434 356.3937 384.2227 356.8759 409.7031 357.3580 443.1221 357.8401 479.2891 358.3222 514.2842 358.8043 549.5244 359.2864 588.5566 359.7686 632.0293 360.2507 680.5312 360.7328 734.7715 361.2149 798.8027 361.6970 862.5127 362.1791 921.9316 362.6613 977.9209 363.1434 1032.558 363.6255 1084.654 364.1076 1136.800 364.5897 1193.704 365.0718 1260.466 365.5540 1311.388 366.0361 1339.427 366.5182 1350.014 367.0003 1349.618 367.4824 1329.588 367.9645 1308.577 368.4467 1289.161 368.9288 1271.715 369.4109 1259.056 369.8930 1255.320 370.3751 1253.660 370.8572 1250.033 371.3394 1248.613 371.8215 1238.491 372.3036 1220.527 372.7857 1193.233 373.2678 1150.627 373.7499 1088.518 374.2321 1017.927 374.7142 941.9473 375.1963 856.4805 375.6784 778.6768 376.1605 708.5879 376.6426 647.4141 377.1248 599.9307 377.6069 566.6758 378.0890 538.7832 378.5711 514.6201 379.0532 493.4023 379.5353 470.9199 380.0175 446.0342 380.4996 425.4863 380.9817 417.3467 381.4638 420.7236 381.9459 425.8701 382.4280 429.8262 382.9102 434.3369 383.3923 442.3066 383.8744 453.8828 384.3565 469.1973 384.8386 493.6289 385.3207 521.1045 385.8029 537.4805 386.2850 540.4912 386.7671 536.7959 387.2492 535.9375 387.7313 533.8867 388.2134 521.2393 388.6956 490.4941 389.1777 449.6416 389.6598 403.0586 390.1419 351.4971 390.6240 300.6982 391.1061 253.3350 391.5883 208.6836 392.0704 165.3398 392.5525 118.8525 393.0346 79.81641 393.5167 54.16113 393.9988 39.28125 394.4810 27.65723 394.9631 18.38379 395.4452 10.41602 395.9273 2.827148 396.4094 5.507813 396.8915 0.1920472 397.3737 6.808594 397.8558 0.7880860 398.3379 0.8916020 398.8200 7.285156 399.3021 15.07324 399.7842 21.98340 400.2664 28.10938 400.7485 28.74121 401.2306 18.26367 401.7127 8.080078 402.1948 6.549805 402.6769 21.54004 403.1591 27.63672 403.6412 19.09473 404.1233 2.829102 404.6054 3.605469 405.0875 2.461914 405.5696 10.53125 406.0518 16.62500 406.5339 20.61719 407.0160 23.34961 407.4981 24.01270 407.9802 25.02832 408.4623 31.50781 408.9445 43.12402 409.4266 47.48145 409.9087 38.01562 410.3908 21.74902 410.8729 16.31738 411.3550 21.34668 411.8372 27.92090 412.3193 30.24316 412.8014 29.35449 413.2835 28.18555 413.7656 27.55566 414.2477 25.15430 414.7299 16.34082 415.2120 3.852539 415.6941 5.677734 416.1762 4.520508 416.6583 1.738281 417.1404 6.436523 417.6226 18.39551 418.1047 29.85156 418.5868 34.63672 419.0689 37.30078 419.5510 42.56348 420.0331 54.54004 420.5153 65.21582 420.9974 72.83789 421.4795 77.02637 421.9616 76.29883 422.4437 64.66016 422.9258 53.12402 423.4080 47.31836 423.8901 50.30859 424.3722 50.05371 424.8543 42.98145 425.3364 33.87402 425.8185 27.41895 426.3007 25.56836 426.7828 23.62207 427.2649 20.42969 427.7470 16.42871 428.2291 14.64941 428.7112 16.03027 429.1934 17.78125 429.6755 18.60156 430.1576 18.52344 430.6397 16.18359 431.1218 10.43457 431.6039 3.979492 432.0861 2.059570 432.5682 1.3714520E-02 433.0503 6.139648 433.5324 1.581055 434.0145 6.487305 434.4966 11.23730 434.9788 12.55371 435.4609 10.87695 435.9430 5.063477 436.4251 3.695313 436.9072 12.53613 437.3893 22.08105 437.8715 28.99512 438.3536 25.43555 438.8357 15.51465 439.3178 10.72949 439.7999 21.82812 440.2820 37.54395 440.7642 48.48145 441.2463 54.08984 441.7284 54.98828 442.2105 46.99805 442.6926 36.38770 443.1747 29.25879 443.6569 29.44727 444.1390 30.38184 444.6211 29.21680 445.1032 27.13770 445.5853 27.56348 446.0674 34.37598 446.5496 41.19531 447.0317 46.09473 447.5138 49.38281 447.9959 50.17969 448.4780 48.23730 448.9601 44.49316 449.4423 39.38867 449.9244 31.15137 450.4065 25.95996 450.8886 25.41406 451.3707 28.62207 451.8528 32.07715 452.3350 35.79590 452.8171 39.31152 453.2992 41.54688 453.7813 42.33789 454.2634 46.21973 454.7455 53.63672 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