#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:34:18 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1155 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000574.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_1000574 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 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 R050342.rod _rod_data_source.block 3500000 _rod_database.code 1000574 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 130.1285 0.0000000E+00 130.6106 0.2363280 131.0928 3.431641 131.5749 6.111328 132.0570 7.810547 132.5391 8.378906 133.0212 5.929688 133.5033 1.521484 133.9855 0.9687500 134.4676 1.779297 134.9497 0.8281250 135.4318 3.154297 135.9139 9.810547 136.3960 16.11523 136.8782 18.12109 137.3603 14.55469 137.8424 13.42383 138.3245 15.19141 138.8066 19.53125 139.2887 26.06055 139.7709 34.61523 140.2530 45.35742 140.7351 60.64062 141.2172 79.94922 141.6993 95.74609 142.1814 103.0059 142.6636 103.5742 143.1457 103.5820 143.6278 100.7090 144.1099 102.2344 144.5920 114.9160 145.0741 138.5879 145.5563 164.8281 146.0384 187.4277 146.5205 206.3965 147.0026 221.5605 147.4847 224.6230 147.9668 229.2910 148.4490 246.6367 148.9311 277.9453 149.4132 311.8652 149.8953 329.4922 150.3774 318.7832 150.8595 316.1699 151.3417 334.9375 151.8238 355.6738 152.3059 362.2227 152.7880 348.6719 153.2701 321.1934 153.7522 295.5898 154.2344 271.6309 154.7165 250.2363 155.1986 233.3691 155.6807 218.4512 156.1628 201.1738 156.6449 178.9941 157.1271 154.6035 157.6092 139.7617 158.0913 144.0430 158.5734 145.2500 159.0555 134.0156 159.5376 114.4844 160.0198 97.79492 160.5019 90.84961 160.9840 91.16016 161.4661 88.16016 161.9482 78.88672 162.4303 69.49805 162.9125 64.28711 163.3946 63.11133 163.8767 62.91016 164.3588 62.26172 164.8409 61.35938 165.3230 60.39258 165.8052 58.70508 166.2873 57.59961 166.7694 59.97656 167.2515 67.64062 167.7336 72.58984 168.2157 64.32031 168.6979 52.99023 169.1800 52.24805 169.6621 72.42969 170.1442 103.6680 170.6263 116.1719 171.1084 94.30273 171.5906 78.38086 172.0727 87.60352 172.5548 108.7832 173.0369 122.4922 173.5190 115.1367 174.0011 90.14258 174.4833 76.71875 174.9654 86.38867 175.4475 97.22266 175.9296 106.4375 176.4117 113.3535 176.8938 117.7930 177.3760 119.4180 177.8581 118.1562 178.3402 116.6289 178.8223 111.0020 179.3044 108.8281 179.7865 116.1211 180.2687 130.0977 180.7508 142.2598 181.2329 144.8887 181.7150 136.8398 182.1971 133.2969 182.6792 130.5605 183.1614 134.4688 183.6435 152.6797 184.1256 183.7285 184.6077 214.7500 185.0898 233.5059 185.5719 238.8613 186.0540 248.5898 186.5362 269.7598 187.0183 291.6621 187.5004 304.6719 187.9825 306.8613 188.4646 302.7012 188.9467 293.1562 189.4289 279.1641 189.9110 263.8828 190.3931 247.6602 190.8752 230.6836 191.3573 212.9277 191.8394 194.1270 192.3216 175.2324 192.8037 156.3574 193.2858 137.9863 193.7679 121.4141 194.2500 110.0762 194.7321 101.4160 195.2143 84.71484 195.6964 50.00000 196.1785 23.56055 196.6606 22.66992 197.1427 39.49609 197.6248 57.00195 198.1070 63.86719 198.5891 61.16992 199.0712 60.52734 199.5533 66.10938 200.0354 68.75586 200.5175 62.50781 200.9997 50.44922 201.4818 39.45117 201.9639 35.03906 202.4460 37.31055 202.9281 40.55273 203.4102 49.31250 203.8924 54.84570 204.3745 51.36914 204.8566 41.87891 205.3387 34.14648 205.8208 35.54102 206.3029 47.53711 206.7851 55.32812 207.2672 60.31641 207.7493 60.60156 208.2314 52.30664 208.7135 37.73242 209.1956 23.38086 209.6778 15.10352 210.1599 13.59375 210.6420 13.53711 211.1241 14.84375 211.6062 17.17969 212.0883 20.51562 212.5705 24.68555 213.0526 29.82422 213.5347 37.12695 214.0168 47.13867 214.4989 47.17773 214.9810 25.01172 215.4632 3.154297 215.9453 0.2441410 216.4274 14.08984 216.9095 29.26562 217.3916 29.02148 217.8737 13.25586 218.3559 7.152344 218.8380 20.12109 219.3201 37.20703 219.8022 45.93555 220.2843 45.43555 220.7664 41.03516 221.2486 35.25586 221.7307 28.79688 222.2128 24.58008 222.6949 23.72852 223.1770 25.21875 223.6591 27.04688 224.1413 28.68164 224.6234 32.16406 225.1055 42.57812 225.5876 55.44141 226.0697 61.91992 226.5518 55.44141 227.0340 43.38672 227.5161 36.09375 227.9982 33.95703 228.4803 35.18164 228.9624 41.42773 229.4445 49.69336 229.9267 56.38867 230.4088 61.12305 230.8909 62.81641 231.3730 57.98242 231.8551 43.26562 232.3372 30.80859 232.8194 24.98438 233.3015 24.20703 233.7836 28.47852 234.2657 40.25977 234.7478 53.32422 235.2299 51.34375 235.7121 23.95703 236.1942 2.517578 236.6763 2.695313 237.1584 1.333984 237.6405 8.972656 238.1227 18.67969 238.6048 27.49609 239.0869 26.69141 239.5690 7.736328 240.0511 5.941406 240.5332 7.619141 241.0154 3.757813 241.4975 0.3398440 241.9796 8.0077998E-02 242.4617 1.394531 242.9438 1.908203 243.4259 0.6367190 243.9081 0.2851560 244.3902 0.2695310 244.8723 3.9062999E-02 245.3544 0.4843750 245.8365 1.294922 246.3186 1.097656 246.8007 3.492188 247.2829 18.73633 247.7650 29.22461 248.2471 31.02148 248.7292 29.70117 249.2113 30.93164 249.6934 36.83594 250.1756 44.39258 250.6577 47.16211 251.1398 42.31055 251.6219 35.00781 252.1040 19.33203 252.5861 4.095703 253.0683 1.613281 253.5504 4.648438 254.0325 17.30859 254.5146 27.85352 254.9967 38.56055 255.4788 41.52930 255.9610 30.22266 256.4431 15.19727 256.9252 4.363281 257.4073 0.1738280 257.8894 0.7304690 258.3716 6.943359 258.8537 23.53516 259.3358 31.21875 259.8179 19.94336 260.3000 5.873047 260.7821 5.023438 261.2643 19.67383 261.7464 37.34180 262.2285 44.04102 262.7106 36.54883 263.1927 31.93750 263.6748 30.72461 264.1570 32.15039 264.6391 37.17969 265.1212 45.46484 265.6033 52.38281 266.0854 52.64453 266.5675 45.81836 267.0497 42.61719 267.5318 46.15820 268.0139 51.33594 268.4960 54.89453 268.9781 56.53125 269.4602 55.76562 269.9424 51.38281 270.4245 43.99805 270.9066 38.42773 271.3887 38.83594 271.8708 38.13867 272.3529 26.10352 272.8351 4.308594 273.3172 7.511719 273.7993 8.568359 274.2814 42.64453 274.7635 60.81445 275.2456 53.65234 275.7278 40.37891 276.2099 32.75000 276.6920 30.44336 277.1741 31.48828 277.6562 38.05469 278.1383 45.28320 278.6204 43.39258 279.1025 28.73438 279.5847 12.86719 280.0668 0.8066410 280.5489 6.974609 281.0310 6.500000 281.5131 6.738281 281.9952 26.17578 282.4774 42.46875 282.9595 55.49219 283.4416 66.05273 283.9237 75.60156 284.4058 83.33594 284.8879 85.26953 285.3701 78.05273 285.8522 67.73047 286.3343 61.48828 286.8164 59.09375 287.2985 55.11523 287.7806 44.88477 288.2628 30.56250 288.7449 18.82812 289.2270 9.931641 289.7091 5.201172 290.1912 6.357422 290.6733 12.30469 291.1555 19.47656 291.6376 27.76758 292.1197 35.97656 292.6018 41.35156 293.0839 43.68164 293.5660 43.27344 294.0482 37.94922 294.5303 30.35742 295.0124 25.50781 295.4945 27.48633 295.9766 32.27344 296.4587 31.82422 296.9409 24.39453 297.4230 17.85156 297.9051 17.22070 298.3872 19.44727 298.8693 21.43945 299.3514 22.67188 299.8336 22.55078 300.3157 19.74805 300.7978 13.65430 301.2799 8.130859 301.7620 4.257813 302.2441 1.802734 302.7263 0.7539060 303.2084 1.166016 303.6905 2.478516 304.1726 4.556641 304.6547 7.484375 305.1368 9.664063 305.6190 12.20312 306.1011 12.41992 306.5832 6.902344 307.0653 4.279297 307.5474 14.81738 308.0295 19.78711 308.5117 19.44141 308.9938 16.72559 309.4759 9.834961 309.9580 3.063477 310.4401 1.001953 310.9222 2.606445 311.4044 2.812500 311.8865 0.1025390 312.3686 4.023438 312.8507 2.014648 313.3328 10.35645 313.8149 21.58398 314.2971 24.61816 314.7792 22.32715 315.2613 19.78613 315.7434 18.42773 316.2255 18.67383 316.7076 22.44727 317.1898 31.76660 317.6719 38.76074 318.1540 38.74121 318.6361 35.06738 319.1182 30.82031 319.6003 26.58691 320.0825 22.92969 320.5646 20.03418 321.0467 17.45508 321.5288 17.79102 322.0109 26.80371 322.4930 36.23730 322.9752 38.79492 323.4573 33.31641 323.9394 26.44141 324.4215 23.36816 324.9036 23.24414 325.3857 23.42676 325.8679 24.39453 326.3500 25.65723 326.8321 26.95605 327.3142 28.36133 327.7963 30.05566 328.2784 33.65918 328.7606 38.15625 329.2427 37.42090 329.7248 26.62891 330.2069 18.63086 330.6890 25.55762 331.1711 40.51367 331.6533 49.28418 332.1354 39.66309 332.6175 21.84082 333.0996 19.35254 333.5817 38.05078 334.0638 52.71875 334.5460 43.62500 335.0281 25.91309 335.5102 16.54688 335.9923 21.14844 336.4744 31.39062 336.9565 38.09180 337.4387 41.01758 337.9208 43.97852 338.4029 47.50000 338.8850 51.99219 339.3671 59.65137 339.8492 70.93457 340.3314 77.63184 340.8135 69.54395 341.2956 49.57812 341.7777 36.52734 342.2598 34.50000 342.7419 39.49512 343.2241 50.17383 343.7062 65.16699 344.1883 77.42285 344.6704 84.18262 345.1525 85.76758 345.6346 82.14453 346.1168 72.37500 346.5989 60.54004 347.0810 44.22754 347.5631 28.32812 348.0452 23.34375 348.5273 37.94141 349.0095 58.80469 349.4916 71.03027 349.9737 74.48926 350.4558 76.11230 350.9379 79.80859 351.4200 82.85742 351.9022 81.10156 352.3843 73.49707 352.8664 63.52832 353.3485 51.44141 353.8306 38.41895 354.3127 29.18848 354.7949 25.28418 355.2770 25.25977 355.7591 27.44043 356.2412 31.68555 356.7233 37.31445 357.2054 47.31641 357.6876 57.49219 358.1697 58.98242 358.6518 49.32422 359.1339 40.52930 359.6160 46.68555 360.0981 63.89648 360.5803 71.18164 361.0624 55.69434 361.5445 37.34082 362.0266 34.84082 362.5087 46.36133 362.9908 55.64258 363.4730 53.18945 363.9551 42.41992 364.4372 34.06445 364.9193 27.03711 365.4014 22.80469 365.8835 23.03125 366.3657 26.99512 366.8478 33.56445 367.3299 43.04004 367.8120 52.98242 368.2941 59.10059 368.7762 60.40918 369.2584 61.64746 369.7405 67.45215 370.2226 70.85840 370.7047 62.02734 371.1868 40.86328 371.6689 21.09375 372.1511 16.04785 372.6332 26.63574 373.1153 31.64746 373.5974 27.44238 374.0795 22.01270 374.5616 18.61621 375.0438 17.09375 375.5259 16.74512 376.0080 17.43066 376.4901 18.41992 376.9722 17.10547 377.4543 9.791992 377.9365 4.824219 378.4186 5.027344 378.9007 6.963867 379.3828 6.913086 379.8649 3.814453 380.3470 1.159180 380.8292 6.924805 381.3113 16.10059 381.7934 17.62402 382.2755 3.644531 382.7576 10.18359 383.2397 14.63672 383.7219 10.67285 384.2040 4.284180 384.6861 0.1083980 385.1682 1.946289 385.6503 4.112305 386.1324 6.206055 386.6146 8.372070 387.0967 10.48047 387.5788 12.58203 388.0609 15.08887 388.5430 18.14062 389.0251 20.87695 389.5073 21.56152 389.9894 19.54492 390.4715 16.93359 390.9536 13.37109 391.4357 9.931641 391.9178 8.153320 392.4000 7.697266 392.8821 6.211914 393.3642 0.9697270 393.8463 8.263672 394.3284 15.87500 394.8105 22.19141 395.2927 26.10156 395.7748 26.56738 396.2569 24.64746 396.7390 21.50586 397.2211 17.07715 397.7032 13.22461 398.1854 15.08594 398.6675 25.22070 399.1496 33.49121 399.6317 36.87695 400.1138 37.50781 400.5959 36.67285 401.0780 34.64258 401.5602 31.18848 402.0423 24.21680 402.5244 14.47168 403.0065 10.74121 403.4886 18.86523 403.9707 26.10547 404.4529 19.77930 404.9350 5.119141 405.4171 3.026367 405.8992 3.182617 406.3813 18.84473 406.8634 40.22266 407.3456 68.87695 407.8277 88.69434 408.3098 89.69824 408.7919 77.16699 409.2740 59.03027 409.7561 31.08105 410.2383 9.833984 410.7204 8.962891 411.2025 22.87793 411.6846 35.98730 412.1667 45.23340 412.6488 50.42383 413.1310 49.20117 413.6131 41.72363 414.0952 37.51953 414.5773 39.49316 415.0594 44.58105 415.5415 50.54395 416.0237 57.12305 416.5058 64.10742 416.9879 71.43750 417.4700 79.03320 417.9521 86.57422 418.4342 93.65234 418.9164 101.0762 419.3985 107.1064 419.8806 114.1416 420.3627 128.4121 420.8448 151.7314 421.3269 174.4092 421.8091 180.4863 422.2912 158.4619 422.7733 153.3193 423.2554 176.1553 423.7375 204.6533 424.2196 228.8516 424.7018 247.0918 425.1839 259.4531 425.6660 265.5059 426.1481 266.2695 426.6302 268.5322 427.1123 273.1904 427.5945 278.5947 428.0766 281.6582 428.5587 286.8584 429.0408 298.9248 429.5229 319.2070 430.0050 345.2158 430.4872 374.3799 430.9693 407.6211 431.4514 439.8984 431.9335 465.9639 432.4156 496.1201 432.8977 538.0977 433.3799 587.9121 433.8620 634.7646 434.3441 668.1826 434.8262 696.6982 435.3083 748.2715 435.7904 832.8398 436.2726 912.3066 436.7547 964.1611 437.2368 1009.754 437.7189 1067.105 438.2010 1139.603 438.6831 1220.458 439.1653 1299.925 439.6474 1381.383 440.1295 1482.852 440.6116 1606.007 441.0937 1750.295 441.5758 1915.812 442.0580 2100.466 442.5401 2304.984 443.0222 2540.462 443.5043 2787.593 443.9864 3036.083 444.4685 3283.107 444.9507 3513.151 445.4328 3717.553 445.9149 3901.424 446.3970 4072.418 446.8791 4222.725 447.3612 4383.599 447.8434 4564.622 448.3255 4760.677 448.8076 4963.364 449.2897 5172.665 449.7718 5398.795 450.2539 5655.438 450.7361 5945.865 451.2182 6216.558 451.7003 6466.311 452.1824 6700.924 452.6645 6925.713 453.1466 7137.482 453.6288 7322.628 454.1109 7475.594 454.5930 7616.056 455.0751 7780.053 455.5572 7941.148 456.0393 8184.223 456.5215 8506.024 457.0036 8896.901 457.4857 9368.236 457.9678 9906.337 458.4499 10488.90 458.9320 11116.71 459.4142 11767.67 459.8963 12335.07 460.3784 12897.21 460.8605 13216.91 461.3426 13302.66 461.8247 13118.94 462.3069 12592.06 462.7890 11704.38 463.2711 10607.56 463.7532 9386.877 464.2353 8051.949 464.7174 6837.686 465.1996 5759.256 465.6817 4830.893 466.1638 4068.378 466.6459 3449.402 467.1280 2932.402 467.6101 2526.840 468.0923 2199.166 468.5744 1926.410 469.0565 1704.799 469.5386 1520.123 470.0207 1372.825 470.5028 1252.163 470.9850 1142.607 471.4671 1043.409 471.9492 951.7070 472.4313 863.7334 472.9134 784.2051 473.3955 720.9336 473.8777 673.3584 474.3598 629.7705 474.8419 580.7295 475.3240 527.8750 475.8061 488.3936 476.2882 473.1729 476.7704 455.8770 477.2525 427.1387 477.7346 395.4893 478.2167 373.3740 478.6988 363.3711 479.1809 355.9346 479.6631 336.8906 480.1452 301.5586 480.6273 278.3564 481.1094 275.2021 481.5915 276.6318 482.0736 280.6729 482.5558 285.7910 483.0379 290.5732 483.5200 294.6855 484.0021 295.0869 484.4842 284.2822 484.9663 259.4619 485.4485 238.0479 485.9306 223.7559 486.4127 213.8701 486.8948 209.8906 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56.72363 514.3754 42.56152 514.8575 43.77148 515.3397 60.01660 515.8218 76.78125 516.3039 83.58105 516.7860 81.36230 517.2681 77.17773 517.7502 69.29102 518.2324 61.50000 518.7145 51.57129 519.1966 43.25879 519.6787 41.28711 520.1608 45.63574 520.6429 51.02734 521.1251 51.79590 521.6072 48.12598 522.0893 47.28711 522.5714 51.52832 523.0535 54.54492 523.5356 56.78516 524.0178 55.98535 524.4999 47.91309 524.9820 30.83105 525.4641 13.36719 525.9462 1.649414 526.4283 3.744141 526.9105 0.3867190 527.3926 16.35449 527.8747 32.31445 528.3568 38.92578 528.8389 38.25781 529.3210 37.38379 529.8032 37.56738 530.2853 37.11426 530.7674 36.07324 531.2495 33.64258 531.7316 26.82324 532.2137 14.61523 532.6959 2.598633 533.1780 1.876953 533.6601 2.786133 534.1422 4.762695 534.6243 3.538086 535.1064 0.5351560 535.5886 6.196289 536.0707 13.66113 536.5528 17.12109 537.0349 14.71777 537.5170 9.212891 537.9991 3.840820 538.4813 2.320313 538.9634 3.501953 539.4455 5.957031 539.9276 14.36914 540.4097 16.28613 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