#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:35:44 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1175 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000594.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_1000594 loop_ _publ_author_name 'Grice, J. D.' _publ_section_title ; A solution to the crystal structures of bismutite and beyerite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 693 _journal_page_last 698 _journal_paper_doi 10.2113/gscanmin.40.2.693 _journal_volume 40 _journal_year 2002 _chemical_compound_source R060665 _chemical_formula_sum 'C Bi2 O5' _chemical_name_mineral Bismutite _space_group_IT_number 44 _symmetry_space_group_name_Hall 'I 2 -2' _symmetry_space_group_name_H-M 'I m m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.865 _cell_length_b 3.862 _cell_length_c 13.675 _cell_volume 204.122 _exptl_crystal_density_diffrn 8.297 _cod_original_formula_sum 'Bi2 C O5' _cod_database_code 9004677 _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 R060665.rod _rod_data_source.block 3500000 _rod_database.code 1000594 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 9004677 COD http://www.crystallography.net/cod/9004677.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 96.38110 0.0000000E+00 96.86321 14.67139 97.34533 28.00928 97.82745 28.14600 98.30956 28.96143 98.79168 31.77686 99.27380 37.37598 99.75591 44.99414 100.2380 54.32812 100.7201 61.56641 101.2023 59.90088 101.6844 45.31885 102.1665 30.31641 102.6486 19.20166 103.1307 10.64893 103.6128 3.222656 104.0950 3.631836 104.5771 8.453613 105.0592 12.61328 105.5413 15.69727 106.0234 16.07520 106.5055 12.24854 106.9877 5.346680 107.4698 0.4384770 107.9519 2.981934 108.4340 6.335449 108.9161 12.62646 109.3982 20.95752 109.8804 29.16064 110.3625 34.99463 110.8446 37.62598 111.3267 41.73486 111.8088 47.47021 112.2909 54.28613 112.7731 61.83057 113.2552 70.06152 113.7373 79.26611 114.2194 89.79248 114.7015 101.6562 115.1836 115.2578 115.6658 133.0322 116.1479 151.3901 116.6300 166.2061 117.1121 175.8677 117.5942 183.0234 118.0763 194.1235 118.5584 210.6982 119.0406 226.9639 119.5227 239.5771 120.0048 250.2773 120.4869 263.9102 120.9690 282.5254 121.4511 305.8838 121.9333 332.1519 122.4154 362.5400 122.8975 393.6216 123.3796 421.4365 123.8617 445.4424 124.3438 470.9297 124.8260 502.3037 125.3081 535.6489 125.7902 567.2085 126.2723 594.4648 126.7544 620.4126 127.2365 651.7969 127.7187 691.3628 128.2008 732.4365 128.6829 772.0679 129.1650 811.9678 129.6471 854.3594 130.1292 900.8730 130.6114 951.3086 131.0935 1002.200 131.5756 1051.911 132.0577 1104.158 132.5398 1159.743 133.0219 1218.740 133.5041 1280.536 133.9862 1344.757 134.4683 1411.663 134.9504 1481.912 135.4325 1554.160 135.9146 1630.052 136.3968 1711.330 136.8789 1797.709 137.3610 1886.374 137.8431 1972.674 138.3252 2055.885 138.8073 2143.643 139.2895 2237.414 139.7716 2335.739 140.2537 2437.411 140.7358 2541.916 141.2179 2649.164 141.7000 2758.299 142.1821 2868.740 142.6643 2982.537 143.1464 3100.791 143.6285 3223.056 144.1106 3348.510 144.5927 3477.263 145.0748 3609.164 145.5570 3743.836 146.0391 3881.035 146.5212 4020.875 147.0033 4163.868 147.4854 4310.481 147.9675 4457.655 148.4497 4606.011 148.9318 4755.425 149.4139 4906.583 149.8960 5058.965 150.3781 5212.542 150.8602 5366.042 151.3424 5522.145 151.8245 5674.711 152.3066 5823.113 152.7887 5969.098 153.2708 6117.113 153.7529 6267.718 154.2351 6415.393 154.7172 6549.486 155.1993 6657.001 155.6814 6764.242 156.1635 6876.894 156.6456 6988.836 157.1278 7093.058 157.6099 7186.387 158.0920 7268.528 158.5741 7336.657 159.0562 7390.272 159.5383 7433.177 160.0205 7462.966 160.5026 7482.170 160.9847 7497.078 161.4668 7512.253 161.9489 7524.377 162.4310 7522.509 162.9131 7507.159 163.3953 7479.524 163.8774 7439.148 164.3595 7386.466 164.8416 7325.354 165.3237 7258.039 165.8058 7182.492 166.2880 7096.027 166.7701 6994.829 167.2522 6884.797 167.7343 6773.699 168.2164 6662.947 168.6985 6545.316 169.1807 6416.457 169.6628 6279.056 170.1449 6133.319 170.6270 5977.666 171.1091 5815.374 171.5912 5653.903 172.0734 5493.545 172.5555 5333.595 173.0376 5171.104 173.5197 5008.107 174.0018 4846.366 174.4839 4687.359 174.9661 4531.025 175.4482 4378.918 175.9303 4230.902 176.4124 4088.002 176.8945 3951.522 177.3766 3820.250 177.8588 3693.397 178.3409 3569.346 178.8230 3447.801 179.3051 3335.084 179.7872 3236.392 180.2693 3141.106 180.7515 3046.444 181.2336 2952.617 181.7157 2862.246 182.1978 2777.429 182.6799 2698.511 183.1620 2622.902 183.6441 2549.876 184.1263 2479.816 184.6084 2414.055 185.0905 2352.137 185.5726 2291.793 186.0547 2231.111 186.5368 2169.884 187.0190 2112.362 187.5011 2061.439 187.9832 2012.611 188.4653 1962.549 188.9474 1911.152 189.4296 1859.803 189.9117 1809.034 190.3938 1759.370 190.8759 1714.271 191.3580 1676.982 191.8401 1643.377 192.3223 1608.813 192.8044 1572.599 193.2865 1536.193 193.7686 1499.870 194.2507 1463.978 194.7328 1430.835 195.2150 1403.187 195.6971 1378.299 196.1792 1349.806 196.6613 1315.132 197.1434 1281.150 197.6255 1253.453 198.1077 1230.271 198.5898 1208.274 199.0719 1185.557 199.5540 1162.063 200.0361 1138.792 200.5182 1116.393 201.0004 1093.099 201.4825 1067.382 201.9646 1040.200 202.4467 1014.371 202.9288 992.8103 203.4109 975.1787 203.8930 955.0742 204.3752 929.4128 204.8573 904.2822 205.3394 882.9814 205.8215 864.4497 206.3036 845.5210 206.7857 823.5925 207.2679 798.5508 207.7500 774.3933 208.2321 750.5469 208.7142 728.0657 209.1963 707.6304 209.6784 688.9634 210.1606 671.4729 210.6427 654.9739 211.1248 640.0464 211.6069 623.0039 212.0890 601.4551 212.5711 580.0986 213.0533 560.5017 213.5354 542.8857 214.0175 526.4927 214.4996 510.5623 214.9817 494.9568 215.4638 480.7712 215.9460 468.8801 216.4281 457.0137 216.9102 443.9722 217.3923 429.9812 217.8744 415.6885 218.3565 401.5820 218.8387 387.5886 219.3208 374.7014 219.8029 363.7310 220.2850 352.8962 220.7671 341.1282 221.2492 328.4226 221.7314 315.2986 222.2135 301.8315 222.6956 288.0767 223.1777 276.2769 223.6598 268.1846 224.1419 260.7065 224.6240 251.3313 225.1062 239.9751 225.5883 228.9207 226.0704 220.5789 226.5525 214.4712 227.0346 206.1870 227.5167 192.7913 227.9989 178.8467 228.4810 169.2585 228.9631 164.3789 229.4452 160.2112 229.9273 154.2407 230.4094 146.8691 230.8916 139.0569 231.3737 130.5815 231.8558 121.9583 232.3379 113.6895 232.8200 105.7637 233.3021 98.30884 233.7843 91.59766 234.2664 85.31787 234.7485 78.86792 235.2306 71.11011 235.7127 63.95581 236.1948 60.98608 236.6770 63.52026 237.1591 64.40088 237.6412 57.78394 238.1233 48.05200 238.6054 39.79858 239.0875 34.80981 239.5697 31.33618 240.0518 26.54858 240.5339 19.80566 241.0160 13.64795 241.4981 9.191650 241.9802 5.672852 242.4624 2.454102 242.9445 0.6733400 243.4266 3.508301 243.9087 5.670166 244.3908 7.005859 244.8729 8.008057 245.3550 8.906006 245.8372 9.538574 246.3193 9.536865 246.8014 8.742676 247.2835 7.790283 247.7656 8.020508 248.2477 9.991943 248.7299 11.81812 249.2120 12.75610 249.6941 13.65698 250.1762 15.25244 250.6583 17.76050 251.1404 20.62793 251.6226 23.05298 252.1047 24.80957 252.5868 26.45898 253.0689 28.44800 253.5510 30.10132 254.0331 30.68970 254.5153 30.12427 254.9974 29.34399 255.4795 30.07764 255.9616 33.77222 256.4437 35.68799 256.9258 34.94360 257.4080 33.31763 257.8901 31.82275 258.3722 30.71069 258.8543 29.83716 259.3364 28.99121 259.8185 28.05078 260.3007 27.47852 260.7828 28.18921 261.2649 28.58740 261.7470 27.40356 262.2291 24.69385 262.7112 21.52295 263.1934 19.08594 263.6755 17.44092 264.1576 16.47974 264.6397 16.73853 265.1218 17.09644 265.6039 17.11182 266.0861 16.64282 266.5682 15.58154 267.0503 13.71924 267.5324 10.83130 268.0145 8.508057 268.4966 7.361572 268.9788 6.118164 269.4609 3.757813 269.9430 0.5915530 270.4251 2.138184 270.9072 3.326660 271.3893 2.936035 271.8715 3.020996 272.3536 3.103760 272.8357 3.994873 273.3178 6.958496 273.7999 11.16675 274.2820 14.35181 274.7642 14.79639 275.2463 12.79907 275.7284 12.20190 276.2105 13.00439 276.6926 14.75732 277.1747 18.12378 277.6568 22.32349 278.1389 25.61548 278.6211 26.93604 279.1032 26.81543 279.5853 27.50830 280.0674 29.57495 280.5495 31.59668 281.0316 33.22656 281.5138 34.57959 281.9959 35.85400 282.4780 37.14771 282.9601 38.40698 283.4422 39.61597 283.9243 41.07568 284.4065 41.95654 284.8886 41.01416 285.3707 39.67383 285.8528 40.59253 286.3349 44.89795 286.8170 50.05908 287.2992 51.29663 287.7813 47.11401 288.2634 44.51465 288.7455 45.52002 289.2276 48.33203 289.7097 50.98877 290.1919 53.05762 290.6740 54.76440 291.1561 56.26099 291.6382 57.50830 292.1203 58.93652 292.6024 60.58423 293.0846 62.42896 293.5667 64.47827 294.0488 66.71985 294.5309 69.05444 295.0130 71.39734 295.4951 73.70947 295.9773 75.87146 296.4594 78.43420 296.9415 80.45361 297.4236 80.58423 297.9057 79.00659 298.3878 77.90161 298.8700 78.84851 299.3521 81.71094 299.8342 84.60730 300.3163 88.47424 300.7984 91.50708 301.2805 91.74817 301.7627 89.86938 302.2448 89.10107 302.7269 91.53101 303.2090 95.91565 303.6911 98.44641 304.1732 98.63647 304.6554 98.15320 305.1375 97.09790 305.6196 95.83264 306.1017 95.50879 306.5838 96.88037 307.0659 99.00610 307.5481 99.77820 308.0302 98.71167 308.5123 98.15625 308.9944 99.88232 309.4765 102.4283 309.9586 102.9877 310.4408 100.5947 310.9229 97.18567 311.4050 95.31030 311.8871 94.96985 312.3692 95.29773 312.8513 96.61475 313.3335 98.19324 313.8156 99.06787 314.2977 99.22009 314.7798 99.25757 315.2619 99.72498 315.7440 100.5573 316.2262 100.9664 316.7083 100.2340 317.1904 99.49243 317.6725 99.95654 318.1546 101.5366 318.6367 102.7643 319.1188 102.5985 319.6010 101.4377 320.0831 100.9956 320.5652 101.1654 321.0473 102.1443 321.5294 104.9275 322.0115 108.7764 322.4937 110.8479 322.9758 109.2153 323.4579 105.7917 323.9400 105.5450 324.4221 109.5251 324.9042 113.8843 325.3864 117.9237 325.8685 121.3715 326.3506 123.2122 326.8327 122.7527 327.3148 122.2311 327.7969 125.9149 328.2791 134.7924 328.7612 141.2043 329.2433 141.3516 329.7254 139.3127 330.2075 139.8318 330.6896 143.7703 331.1718 149.1516 331.6539 154.1038 332.1360 158.4950 332.6181 163.0536 333.1002 168.3208 333.5823 173.2612 334.0645 176.7256 334.5466 178.9287 335.0287 181.5330 335.5108 185.6509 335.9929 191.1311 336.4750 196.6890 336.9572 202.9906 337.4393 208.6766 337.9214 212.6959 338.4035 215.6538 338.8856 218.9421 339.3677 223.2047 339.8499 228.1716 340.3320 233.2048 340.8141 238.7018 341.2962 243.5443 341.7783 247.3069 342.2604 250.3757 342.7426 253.0231 343.2247 255.3190 343.7068 257.7601 344.1889 261.0620 344.6710 265.6029 345.1531 270.0154 345.6353 274.5232 346.1174 278.7035 346.5995 282.0129 347.0816 284.5322 347.5637 287.0541 348.0458 290.2720 348.5280 294.2354 349.0101 298.1572 349.4922 303.3956 349.9743 307.2800 350.4564 307.5232 350.9385 305.4697 351.4207 304.3557 351.9028 306.1906 352.3849 310.1448 352.8670 312.6360 353.3491 312.1010 353.8312 312.0599 354.3134 313.0017 354.7955 314.6344 355.2776 316.8937 355.7597 319.7086 356.2418 322.4037 356.7239 323.8068 357.2061 323.2122 357.6882 322.6697 358.1703 322.0051 358.6524 321.5028 359.1345 321.3455 359.6166 321.5315 360.0987 322.0537 360.5808 323.0487 361.0630 324.7057 361.5451 324.9653 362.0272 322.8431 362.5093 320.4264 362.9914 317.9664 363.4735 315.7437 363.9557 314.4775 364.4378 314.7607 364.9199 315.8668 365.4020 314.5607 365.8841 308.2883 366.3662 303.0322 366.8484 299.3445 367.3305 297.0615 367.8126 296.7440 368.2947 298.3553 368.7768 299.9170 369.2589 297.9084 369.7411 290.3855 370.2232 284.6274 370.7053 282.6121 371.1874 280.8383 371.6695 277.1116 372.1516 271.6750 372.6338 266.3132 373.1159 262.8191 373.5980 261.1188 374.0801 258.4637 374.5622 253.3175 375.0443 249.1177 375.5265 247.9907 376.0086 248.2610 376.4907 247.3165 376.9728 243.7375 377.4549 238.5472 377.9370 233.6809 378.4192 228.6866 378.9013 225.3584 379.3834 226.6746 379.8655 228.3281 380.3476 226.2632 380.8297 219.7368 381.3119 212.8145 381.7940 210.3529 382.2761 212.2220 382.7582 212.0366 383.2403 207.5579 383.7224 202.4952 384.2046 199.8618 384.6867 198.9597 385.1688 197.0553 385.6509 191.2102 386.1330 183.6431 386.6151 179.7157 387.0973 180.2643 387.5794 181.5066 388.0615 181.8270 388.5436 181.3245 389.0257 179.9248 389.5078 177.2249 389.9900 174.3068 390.4721 171.8978 390.9542 170.0032 391.4363 169.0421 391.9184 169.8066 392.4005 170.7314 392.8827 169.3251 393.3648 165.4033 393.8469 162.0671 394.3290 160.8680 394.8111 160.9194 395.2932 161.2156 395.7754 161.6978 396.2575 161.3593 396.7396 158.7900 397.2217 154.2589 397.7038 151.0300 398.1859 149.6096 398.6681 149.1553 399.1501 149.9103 399.6323 151.3350 400.1144 151.4038 400.5965 148.8153 401.0786 144.7194 401.5607 142.6108 402.0428 143.8813 402.5250 144.2781 403.0071 142.3201 403.4892 139.4192 403.9713 137.2147 404.4534 136.0953 404.9355 135.3652 405.4177 134.1785 405.8998 132.3451 406.3819 131.0759 406.8640 131.5406 407.3461 131.5354 407.8282 129.1058 408.3104 125.3024 408.7925 122.8738 409.2746 123.5363 409.7567 126.4208 410.2388 127.8970 410.7209 126.0171 411.2031 125.3135 411.6852 128.1697 412.1673 131.4733 412.6494 131.8829 413.1315 128.6678 413.6136 123.9868 414.0958 120.8145 414.5779 119.6460 415.0600 117.3591 415.5421 112.3285 416.0242 107.9786 416.5063 106.2848 416.9885 106.4364 417.4706 106.2686 417.9527 104.0299 418.4348 100.4534 418.9169 98.70898 419.3990 100.1505 419.8812 101.0677 420.3633 99.72644 420.8454 97.47644 421.3275 95.60547 421.8096 94.48694 422.2917 93.53125 422.7739 91.92651 423.2560 89.82458 423.7381 88.66772 424.2202 89.09644 424.7023 89.53284 425.1844 88.93604 425.6666 87.51868 426.1487 85.75598 426.6308 83.71082 427.1129 81.42249 427.5950 78.98511 428.0771 76.37769 428.5593 73.75964 429.0414 70.84375 429.5235 68.22095 430.0056 67.15308 430.4877 68.43530 430.9698 69.50476 431.4520 69.02954 431.9341 67.48022 432.4162 65.70154 432.8983 63.90784 433.3804 62.00562 433.8625 59.76501 434.3447 57.09583 434.8268 55.08142 435.3089 54.12512 435.7910 53.51624 436.2731 53.03369 436.7552 52.52515 437.2374 51.55103 437.7195 49.75378 438.2016 47.53113 438.6837 46.46765 439.1658 48.68225 439.6479 49.31262 440.1301 46.45898 440.6122 42.79065 441.0943 41.11707 441.5764 41.86426 442.0585 43.17847 442.5406 43.03418 443.0227 41.32556 443.5049 38.91858 443.9870 33.85815 444.4691 30.16296 444.9512 30.05933 445.4333 32.01587 445.9154 33.54370 446.3976 33.42566 446.8797 32.01562 447.3618 29.81238 447.8439 26.21423 448.3260 23.62146 448.8081 23.97083 449.2903 24.33276 449.7724 22.58325 450.2545 18.74951 450.7366 14.67102 451.2187 11.43994 451.7008 9.061523 452.1830 7.924194 452.6651 8.469116 453.1472 9.197144 453.6293 9.531494 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