#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:22 +0300 (Thu, 07 Jun 2018) $ #$Revision: 923 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000396.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_1000396 loop_ _publ_author_name 'Colville, A. A.' 'Staudhammer, K.' _publ_section_title ; A refinement of the structure of barite from Cow Green mine ; _journal_name_full 'American Mineralogist' _journal_page_first 1877 _journal_page_last 1880 _journal_volume 52 _journal_year 1967 _chemical_compound_source R050342 _chemical_formula_structural Ba(SO4) _chemical_formula_sum 'Ba O4 S' _chemical_name_mineral Baryte _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 8.884 _cell_length_b 5.458 _cell_length_c 7.153 _cell_volume 346.841 _exptl_crystal_density_diffrn 4.470 _cod_original_formula_sum 'Ba S O4' _cod_related_entry 9000159 _cod_database_code 9014007 _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 R050342.rod _rod_data_source.block 3500000 _rod_database.code 1000396 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 9014007 COD http://www.crystallography.net/cod/9014007.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 130.4407 0.0000000E+00 130.9229 10.37109 131.4050 4.703613 131.8871 33.42236 132.3692 109.3574 132.8513 199.7983 133.3334 294.5820 133.8156 357.7334 134.2977 380.1372 134.7798 384.9546 135.2619 385.4561 135.7440 383.3203 136.2261 379.0479 136.7083 374.4829 137.1904 367.0161 137.6725 367.0806 138.1546 393.4663 138.6367 454.5806 139.1188 495.7515 139.6010 497.5449 140.0831 459.9121 140.5652 438.8540 141.0473 439.5933 141.5294 448.8618 142.0115 446.7471 142.4937 423.2256 142.9758 411.9067 143.4579 429.5283 143.9400 488.4429 144.4221 511.7007 144.9042 479.6475 145.3864 423.3594 145.8685 396.7383 146.3506 413.8545 146.8327 440.4023 147.3148 467.9658 147.7969 504.0210 148.2791 523.1753 148.7612 509.0059 149.2433 479.5918 149.7254 477.3032 150.2075 540.9370 150.6896 597.7007 151.1718 620.0249 151.6539 578.9951 152.1360 546.7334 152.6181 530.3604 153.1002 524.5957 153.5823 513.6533 154.0645 493.1313 154.5466 469.6025 155.0287 445.9180 155.5108 415.3354 155.9929 392.5054 156.4750 385.0576 156.9572 388.7632 157.4393 386.6929 157.9214 366.4507 158.4035 344.5869 158.8856 331.4834 159.3677 340.7539 159.8499 347.1934 160.3320 340.7192 160.8141 323.7676 161.2962 310.6953 161.7783 312.2090 162.2604 317.2729 162.7426 316.7778 163.2247 301.3438 163.7068 285.7334 164.1889 277.9502 164.6710 277.4165 165.1531 275.0605 165.6353 263.7012 166.1174 249.1704 166.5995 237.8813 167.0816 232.4248 167.5637 229.5249 168.0458 229.6475 168.5280 227.7466 169.0101 226.7886 169.4922 237.2012 169.9743 252.4878 170.4564 263.2354 170.9385 260.3511 171.4207 254.4180 171.9028 257.6719 172.3849 271.1284 172.8670 280.0225 173.3491 267.3232 173.8312 242.1133 174.3134 222.2471 174.7955 218.0220 175.2776 222.6157 175.7597 228.0713 176.2418 233.9370 176.7239 242.5591 177.2061 263.0205 177.6882 291.5991 178.1703 308.5923 178.6524 309.2910 179.1345 298.2549 179.6166 282.2451 180.0988 257.9644 180.5809 230.4707 181.0630 197.6968 181.5451 163.2446 182.0272 142.7524 182.5093 151.3389 182.9915 179.3623 183.4736 205.2700 183.9557 230.0420 184.4378 247.6372 184.9199 245.4736 185.4020 228.2861 185.8842 218.8052 186.3663 245.2793 186.8484 298.2798 187.3305 323.9775 187.8126 322.2373 188.2947 301.2905 188.7769 275.0352 189.2590 244.0708 189.7411 212.4648 190.2232 176.7749 190.7053 139.7656 191.1874 120.5688 191.6696 124.2524 192.1517 139.3062 192.6338 145.8184 193.1159 143.6641 193.5980 137.0264 194.0801 125.9614 194.5623 111.0127 195.0444 100.7510 195.5265 97.19482 196.0086 96.80859 196.4907 88.88086 196.9728 71.52490 197.4550 61.84277 197.9371 78.35205 198.4192 121.7744 198.9013 143.8193 199.3834 137.1494 199.8655 110.1934 200.3477 79.49023 200.8298 43.10156 201.3119 12.16553 201.7940 7.054199 202.2761 14.23682 202.7582 10.70264 203.2404 9.722656 203.7225 36.29980 204.2046 34.45508 204.6867 3.856445 205.1688 42.80469 205.6509 59.37354 206.1331 50.39990 206.6152 34.48975 207.0973 10.52979 207.5794 15.86426 208.0615 27.88525 208.5436 20.77832 209.0258 10.67383 209.5079 9.257813 209.9900 19.42676 210.4721 23.65039 210.9542 17.64893 211.4363 5.641113 211.9185 3.060059 212.4006 13.60449 212.8827 25.47900 213.3648 31.35352 213.8469 30.42090 214.3290 26.38965 214.8112 17.78467 215.2933 6.400879 215.7754 0.2817380 216.2575 3.572266 216.7396 0.2192380 217.2217 16.93408 217.7038 56.07178 218.1860 78.01318 218.6681 75.21729 219.1502 54.02100 219.6323 36.21045 220.1144 20.53174 220.5965 10.70215 221.0787 11.15234 221.5608 29.13672 222.0429 37.60547 222.5250 32.68311 223.0071 17.45410 223.4892 1.477051 223.9714 20.63770 224.4535 35.02148 224.9356 31.45703 225.4177 2.474609 225.8998 24.07080 226.3819 28.38916 226.8641 19.38623 227.3462 9.286621 227.8283 5.245605 228.3104 15.94043 228.7925 17.62695 229.2746 4.918457 229.7568 4.455566 230.2389 8.562988 230.7210 9.170898 231.2031 11.45605 231.6852 14.90234 232.1673 20.67969 232.6495 30.43164 233.1316 49.71094 233.6137 59.74023 234.0958 54.45215 234.5779 40.67676 235.0600 39.66943 235.5422 65.56641 236.0243 83.86377 236.5064 75.32471 236.9885 15.48975 237.4706 15.14404 237.9527 0.9599610 238.4349 38.59717 238.9170 53.05957 239.3991 23.52588 239.8812 3.101563 240.3633 2.780273 240.8454 49.08740 241.3276 65.61914 241.8097 25.54150 242.2918 42.25439 242.7739 73.03955 243.2560 49.49512 243.7381 15.62549 244.2203 13.50000 244.7024 38.33594 245.1845 57.34033 245.6666 71.12451 246.1487 78.81250 246.6308 77.51270 247.1130 59.42285 247.5951 45.19385 248.0772 44.15723 248.5593 62.61230 249.0414 70.60205 249.5235 63.26953 250.0057 48.43115 250.4878 38.95020 250.9699 36.98486 251.4520 36.31348 251.9341 33.63916 252.4162 26.64209 252.8984 30.40430 253.3805 53.10693 253.8626 80.37012 254.3447 88.69775 254.8268 67.50342 255.3089 49.40479 255.7911 43.87354 256.2732 52.01270 256.7553 63.68994 257.2374 81.28271 257.7195 100.1738 258.2017 116.4072 258.6838 134.6831 259.1659 139.2954 259.6480 120.0464 260.1301 75.42090 260.6122 55.42578 261.0944 69.80762 261.5765 92.63184 262.0586 94.74268 262.5407 69.66357 263.0228 40.32910 263.5049 8.851563 263.9871 23.35059 264.4692 39.55371 264.9513 37.29980 265.4334 21.96338 265.9155 2.016113 266.3976 38.68945 266.8798 67.28076 267.3619 80.71533 267.8440 81.64893 268.3261 91.79980 268.8082 115.3140 269.2903 139.1958 269.7725 155.7383 270.2546 167.1016 270.7367 157.2485 271.2188 112.7183 271.7009 47.05469 272.1830 21.21533 272.6652 45.44971 273.1473 82.20264 273.6294 108.9546 274.1115 125.3926 274.5936 130.8125 275.0757 120.5918 275.5579 102.1333 276.0400 98.67383 276.5221 113.6890 277.0042 129.3691 277.4863 135.4419 277.9684 131.4087 278.4506 121.7471 278.9327 102.0498 279.4148 82.82227 279.8969 93.90625 280.3790 141.0811 280.8611 178.6279 281.3433 174.4805 281.8254 128.3906 282.3075 102.6533 282.7896 104.8066 283.2717 121.8857 283.7538 129.6602 284.2360 128.6104 284.7181 124.6348 285.2002 117.7227 285.6823 108.5078 286.1644 106.2275 286.6465 113.3926 287.1287 123.5176 287.6108 130.2520 288.0929 133.9141 288.5750 128.4961 289.0571 103.9375 289.5392 68.22070 290.0214 61.38477 290.5035 88.61523 290.9856 120.8418 291.4677 124.2334 291.9498 103.5234 292.4319 87.53125 292.9141 85.79199 293.3962 94.02441 293.8783 107.8330 294.3604 127.4014 294.8425 136.9756 295.3246 111.9521 295.8068 64.69336 296.2889 31.03027 296.7710 19.49219 297.2531 24.68262 297.7352 44.21484 298.2173 78.28027 298.6995 107.8037 299.1816 115.8398 299.6637 111.8037 300.1458 112.6797 300.6279 126.7275 301.1100 141.5605 301.5922 131.8359 302.0743 103.4424 302.5564 82.12109 303.0385 94.07324 303.5206 118.1982 304.0027 122.9805 304.4849 100.9229 304.9670 79.84863 305.4491 96.59277 305.9312 135.9004 306.4133 161.2080 306.8954 138.4551 307.3776 101.5254 307.8597 87.05762 308.3418 99.15430 308.8239 113.8594 309.3060 116.4521 309.7881 109.7480 310.2703 97.95020 310.7524 69.73340 311.2345 46.68750 311.7166 49.73633 312.1987 78.13672 312.6808 104.7500 313.1630 116.6377 313.6451 117.9453 314.1272 113.0537 314.6093 86.37500 315.0914 69.59180 315.5735 95.42285 316.0557 153.9111 316.5378 183.7305 317.0199 121.1533 317.5020 41.91406 317.9841 1.954102 318.4662 38.53223 318.9484 79.85547 319.4305 106.0898 319.9126 119.7236 320.3947 127.2461 320.8768 137.3457 321.3589 136.2949 321.8411 110.6201 322.3232 40.33105 322.8053 5.416016 323.2874 2.470703 323.7695 41.05957 324.2516 72.88477 324.7338 96.39453 325.2159 106.9736 325.6980 98.93359 326.1801 66.23340 326.6622 41.28125 327.1443 28.28223 327.6265 23.04980 328.1086 21.44531 328.5907 22.16504 329.0728 28.59375 329.5549 46.16113 330.0370 74.55859 330.5192 85.73535 331.0013 64.85840 331.4834 39.13867 331.9655 27.27539 332.4476 36.34277 332.9297 47.67578 333.4119 63.14355 333.8940 79.99512 334.3761 84.96387 334.8582 70.88574 335.3403 54.57129 335.8224 46.98633 336.3046 52.40723 336.7867 52.77734 337.2688 44.65039 337.7509 33.55859 338.2330 33.75977 338.7151 51.93945 339.1973 60.84375 339.6794 43.48242 340.1615 2.317383 340.6436 17.96484 341.1257 5.095703 341.6078 40.20605 342.0899 54.09570 342.5721 45.55469 343.0542 29.34375 343.5363 3.720703 344.0184 25.51562 344.5005 27.32812 344.9826 1.963867 345.4648 31.95020 345.9469 23.26562 346.4290 16.62891 346.9111 24.18262 347.3932 25.38281 347.8753 95.80859 348.3575 107.7158 348.8396 66.12793 349.3217 30.73145 349.8038 57.26660 350.2859 119.1348 350.7680 148.5020 351.2502 132.4277 351.7323 102.1855 352.2144 92.85254 352.6965 98.89844 353.1786 103.7490 353.6607 104.2881 354.1429 96.56445 354.6250 66.28320 355.1071 12.41602 355.5892 26.15723 356.0713 3.693359 356.5534 49.59668 357.0356 89.01465 357.5177 92.36816 357.9998 81.38672 358.4819 68.02539 358.9640 52.51074 359.4461 36.28027 359.9283 2.731445 360.4104 22.04004 360.8925 11.79004 361.3746 66.58496 361.8567 133.1084 362.3388 146.5107 362.8210 123.6475 363.3031 103.4248 363.7852 103.0410 364.2673 103.8857 364.7494 95.92383 365.2315 74.52930 365.7137 57.43848 366.1958 48.31738 366.6779 45.34473 367.1600 46.35449 367.6421 55.20508 368.1242 63.81152 368.6064 73.39746 369.0885 84.41895 369.5706 83.72949 370.0527 51.67383 370.5348 23.21973 371.0169 24.03027 371.4991 92.27344 371.9812 123.5205 372.4633 92.87793 372.9454 21.03711 373.4275 18.53906 373.9096 16.16113 374.3918 1.235352 374.8739 24.83789 375.3560 59.25977 375.8381 78.97363 376.3202 84.28613 376.8023 78.45117 377.2845 64.87012 377.7666 41.39551 378.2487 21.69434 378.7308 9.189453 379.2129 4.000977 379.6950 11.60156 380.1772 34.55469 380.6593 55.81543 381.1414 58.71777 381.6235 46.24805 382.1056 43.79785 382.5877 60.14648 383.0699 84.57031 383.5520 100.3535 384.0341 107.3994 384.5162 102.7930 384.9983 74.60645 385.4804 34.70996 385.9626 5.772461 386.4447 11.24805 386.9268 10.17285 387.4089 38.37402 387.8910 110.5479 388.3731 151.6738 388.8553 107.1572 389.3374 39.52832 389.8195 11.33789 390.3016 21.61621 390.7837 33.06348 391.2658 14.87402 391.7480 10.80859 392.2301 20.07617 392.7122 4.849609 393.1943 31.98047 393.6764 50.99316 394.1585 61.10059 394.6407 59.60352 395.1228 29.55566 395.6049 0.6787110 396.0870 11.68652 396.5691 1.946289 397.0512 12.48047 397.5334 37.01562 398.0155 60.65332 398.4976 70.82617 398.9797 50.47070 399.4618 37.50293 399.9439 44.09180 400.4261 69.98047 400.9082 78.90234 401.3903 51.96777 401.8724 23.53613 402.3545 21.20508 402.8366 71.16895 403.3188 92.16309 403.8009 63.71582 404.2830 7.870117 404.7651 10.21289 405.2472 25.56445 405.7293 61.51660 406.2115 74.83887 406.6936 64.65820 407.1757 60.40625 407.6578 63.56836 408.1399 69.03223 408.6220 70.26562 409.1042 67.43457 409.5863 67.19629 410.0684 72.29004 410.5505 80.31445 411.0326 88.14258 411.5147 95.62012 411.9969 97.14453 412.4790 82.13086 412.9611 58.42188 413.4432 43.76367 413.9253 44.49902 414.4074 55.30859 414.8896 79.09277 415.3717 108.5195 415.8538 125.9697 416.3359 110.0244 416.8180 86.49805 417.3001 80.13184 417.7823 90.47363 418.2644 99.97754 418.7465 108.1670 419.2286 110.3799 419.7107 98.12207 420.1928 43.91406 420.6750 9.373047 421.1571 39.14746 421.6392 108.0039 422.1213 149.7305 422.6034 112.3340 423.0855 73.69238 423.5677 69.14746 424.0498 113.6729 424.5319 148.3389 425.0140 171.4990 425.4961 181.9326 425.9782 177.1611 426.4604 134.2471 426.9425 110.2324 427.4246 116.7148 427.9067 150.2793 428.3888 187.4287 428.8709 232.4785 429.3531 273.4463 429.8352 300.9639 430.3173 309.3955 430.7994 334.2051 431.2815 383.0820 431.7636 435.2598 432.2458 445.5410 432.7279 409.5654 433.2100 388.8896 433.6921 406.0654 434.1742 455.1670 434.6563 519.9951 435.1385 602.0029 435.6206 681.9043 436.1027 746.4404 436.5848 796.3906 437.0669 829.0176 437.5490 835.8164 438.0312 846.4180 438.5133 894.1523 438.9954 973.4678 439.4775 1068.751 439.9596 1180.866 440.4417 1300.944 440.9239 1419.562 441.4060 1536.623 441.8881 1662.049 442.3702 1791.970 442.8523 1935.036 443.3344 2101.065 443.8166 2292.461 444.2987 2507.564 444.7808 2773.499 445.2629 3067.375 445.7450 3322.557 446.2271 3462.244 446.7093 3609.607 447.1914 3813.585 447.6735 4093.574 448.1556 4374.857 448.6377 4662.889 449.1198 4945.723 449.6020 5211.381 450.0841 5445.577 450.5662 5682.417 451.0483 5935.619 451.5304 6195.350 452.0125 6403.364 452.4947 6552.042 452.9768 6678.025 453.4589 6791.896 453.9410 6893.371 454.4231 7022.281 454.9052 7178.320 455.3874 7369.225 455.8695 7605.037 456.3516 7887.113 456.8337 8215.071 457.3158 8595.774 457.7979 9021.113 458.2801 9515.562 458.7622 10062.24 459.2443 10562.91 459.7264 11027.83 460.2085 11379.69 460.6906 11524.27 461.1728 11459.11 461.6549 11140.84 462.1370 10467.50 462.6191 9538.719 463.1012 8513.081 463.5833 7307.532 464.0655 6148.591 464.5476 5116.109 465.0297 4218.791 465.5118 3472.438 465.9939 2970.623 466.4760 2574.886 466.9582 2212.511 467.4403 1848.422 467.9224 1565.179 468.4045 1396.774 468.8866 1295.265 469.3687 1194.825 469.8509 1099.411 470.3330 1000.150 470.8151 888.9463 471.2972 769.3857 471.7793 682.2051 472.2614 635.4287 472.7436 597.2578 473.2257 539.7207 473.7078 461.9688 474.1899 414.7305 474.6720 408.2178 475.1541 414.4795 475.6363 386.6377 476.1184 330.8086 476.6005 286.7500 477.0826 277.5430 477.5647 285.3340 478.0468 279.8877 478.5290 262.5557 479.0111 245.5889 479.4932 241.2061 479.9753 240.5488 480.4574 232.2441 480.9395 212.1045 481.4217 191.3887 481.9038 171.3379 482.3859 156.5518 482.8680 154.1289 483.3501 179.2900 483.8322 204.5459 484.3144 225.3154 484.7965 240.0186 485.2786 236.4170 485.7607 183.5488 486.2428 134.7168 486.7249 119.4365 487.2071 167.0312 487.6892 184.3291 488.1713 156.2812 488.6534 108.6182 489.1355 78.10352 489.6176 69.13867 490.0998 65.80078 490.5819 67.86816 491.0640 72.45605 491.5461 58.80762 492.0282 23.27344 492.5103 2.768555 492.9925 15.18457 493.4746 65.68066 493.9567 83.68945 494.4388 60.76270 494.9209 26.94922 495.4030 17.81055 495.8852 24.57422 496.3673 24.71191 496.8494 0.7734380 497.3315 25.12207 497.8136 29.02637 498.2957 15.64746 498.7779 3.982422 499.2600 9.994141 499.7421 17.02832 500.2242 12.11230 500.7063 9.229492 501.1884 30.08594 501.6706 42.38477 502.1527 53.19727 502.6348 69.35156 503.1169 113.5439 503.5990 136.9111 504.0811 125.6016 504.5633 89.01270 505.0454 61.83984 505.5275 49.10840 506.0096 36.24023 506.4917 14.15234 506.9738 19.19727 507.4560 31.05566 507.9381 19.13086 508.4202 1.414063 508.9023 17.71387 509.3844 30.66211 509.8665 42.78516 510.3487 53.90039 510.8308 64.53516 511.3129 77.34961 511.7950 90.98926 512.2772 100.1562 512.7593 100.6133 513.2414 97.20020 513.7235 101.1914 514.2056 111.6318 514.6877 106.7549 515.1699 40.01758 515.6520 31.54688 516.1341 48.91895 516.6162 38.49121 517.0983 106.4043 517.5804 91.09766 518.0626 35.01270 518.5447 7.808594 519.0268 62.04395 519.5089 101.5420 519.9910 98.67090 520.4731 56.64258 520.9553 24.17383 521.4374 0.4443360 521.9195 12.03613 522.4016 10.42578 522.8837 7.266602 523.3658 32.94824 523.8480 73.67969 524.3301 107.6240 524.8122 93.09766 525.2943 34.25391 525.7764 1.519531 526.2585 13.27246 526.7407 50.80371 527.2228 58.91602 527.7049 42.13965 528.1870 26.63281 528.6691 31.56836 529.1512 44.58301 529.6334 51.30859 530.1155 50.57422 530.5976 47.70215 531.0797 38.62793 531.5618 32.19629 532.0439 38.03223 532.5261 72.48145 533.0082 99.09961 533.4903 108.5996 533.9724 104.1787 534.4545 92.85840 534.9366 62.95898 535.4188 40.30957 535.9009 30.82031 536.3830 34.45117 536.8651 47.57227 537.3472 76.03711 537.8293 102.8359 538.3115 117.3711 538.7936 119.5254 539.2757 109.6777 539.7578 83.61230 540.2399 57.89648 540.7220 59.72070 541.2042 83.99512 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