#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:42 +0300 (Thu, 07 Jun 2018) $ #$Revision: 983 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000441.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_1000441 loop_ _publ_author_name 'Hawthorne, F. C.' _publ_section_title ; Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 669 _journal_page_last 674 _journal_volume 23 _journal_year 1985 _chemical_compound_source R050317 _chemical_formula_sum 'H8 Mg Na2 O12 S2' _chemical_name_mineral Blodite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 100.84 _cell_angle_gamma 90 _cell_length_a 11.126 _cell_length_b 8.242 _cell_length_c 5.539 _cell_volume 498.866 _exptl_crystal_density_diffrn 2.227 _cod_original_formula_sum 'Na2 Mg S2 O12 H8' _cod_database_code 9004183 _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 R050317.rod _rod_data_source.block 3500000 _rod_database.code 1000441 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 9004183 COD http://www.crystallography.net/cod/9004183.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 116.4594 0.0000000E+00 116.9415 0.3431240 117.4236 4.345642 117.9057 12.45952 118.3878 22.13402 118.8699 34.29280 119.3521 46.17361 119.8342 55.76295 120.3163 62.70532 120.7984 70.16162 121.2805 80.67024 121.7626 92.79901 122.2448 104.1807 122.7269 114.1445 123.2090 122.8425 123.6911 130.6182 124.1732 137.2783 124.6553 141.7345 125.1375 142.4299 125.6196 140.0577 126.1017 136.7575 126.5838 134.1975 127.0659 131.5048 127.5480 127.0055 128.0302 120.2145 128.5123 112.1589 128.9944 103.5381 129.4765 95.48776 129.9586 90.35033 130.4407 86.24017 130.9229 81.12418 131.4050 75.66905 131.8871 70.87901 132.3692 65.77013 132.8513 61.09973 133.3334 56.53238 133.8156 51.15237 134.2977 45.03293 134.7798 38.96947 135.2619 33.42732 135.7440 28.42978 136.2261 24.05431 136.7083 20.35094 137.1904 17.35725 137.6725 14.84013 138.1546 12.63280 138.6367 10.80034 139.1188 8.840591 139.6010 6.403915 140.0831 3.491501 140.5652 1.705719 141.0473 1.558685 141.5294 1.780991 142.0115 0.5370790 142.4937 3.012314 142.9758 6.091309 143.4579 7.972733 143.9400 8.585846 144.4221 8.310226 144.9042 6.686554 145.3864 4.459335 145.8685 3.040390 146.3506 3.543884 146.8327 3.330872 147.3148 1.346405 147.7969 3.632584 148.2791 7.575485 148.7612 9.971664 149.2433 11.38693 149.7254 13.16202 150.2075 15.99973 150.6896 18.57954 151.1718 20.40590 151.6539 21.20993 152.1360 21.68881 152.6181 21.72861 153.1002 21.43735 153.5823 21.13760 154.0645 20.79874 154.5466 20.48932 155.0287 20.24770 155.5108 20.36314 155.9929 20.19243 156.4750 19.52322 156.9572 18.45305 157.4393 17.39192 157.9214 15.78783 158.4035 14.58363 158.8856 14.35252 159.3677 16.74106 159.8499 18.59062 160.3320 18.55809 160.8141 16.98338 161.2962 15.89250 161.7783 16.60736 162.2604 17.83475 162.7426 18.50757 163.2247 18.05347 163.7068 17.21049 164.1889 15.86377 164.6710 14.11777 165.1531 13.20810 165.6353 14.41304 166.1174 16.54269 166.5995 18.31621 167.0816 19.28430 167.5637 19.74495 168.0458 19.67993 168.5280 19.09795 169.0101 18.63058 169.4922 18.42123 169.9743 18.62485 170.4564 19.46486 170.9385 22.01875 171.4207 24.65477 171.9028 25.77742 172.3849 25.27391 172.8670 24.38426 173.3491 23.66753 173.8312 23.23415 174.3134 23.24236 174.7955 24.06868 175.2776 25.43231 175.7597 27.07712 176.2418 29.02797 176.7239 31.01166 177.2061 32.92348 177.6882 34.72551 178.1703 36.28488 178.6524 37.42775 179.1345 38.33221 179.6166 39.41542 180.0988 40.80203 180.5809 41.87714 181.0630 41.75392 181.5451 40.64679 182.0272 39.43684 182.5093 38.44795 182.9915 37.68321 183.4736 37.18880 183.9557 36.97937 184.4378 36.96623 184.9199 36.81429 185.4020 36.62036 185.8842 37.04865 186.3663 38.94377 186.8484 41.85440 187.3305 43.94521 187.8126 44.89442 188.2947 45.49741 188.7769 47.28549 189.2590 50.19489 189.7411 52.75775 190.2232 53.80315 190.7053 53.61792 191.1874 54.01042 191.6696 55.08438 192.1517 56.87454 192.6338 59.99997 193.1159 64.53900 193.5980 68.37254 194.0801 70.09995 194.5623 69.82968 195.0444 68.96121 195.5265 67.43651 196.0086 65.62711 196.4907 64.53532 196.9728 64.29338 197.4550 63.65381 197.9371 61.62083 198.4192 58.14233 198.9013 55.07068 199.3834 52.79034 199.8655 50.75558 200.3477 47.20250 200.8298 41.75224 201.3119 36.68848 201.7940 33.76703 202.2761 33.30028 202.7582 32.12968 203.2404 29.71384 203.7225 26.61696 204.2046 24.36926 204.6867 23.05452 205.1688 22.56332 205.6509 23.02885 206.1331 24.55965 206.6152 25.48422 207.0973 25.43877 207.5794 24.81271 208.0615 24.86664 208.5436 25.80235 209.0258 26.88600 209.5079 27.57433 209.9900 27.68921 210.4721 28.24770 210.9542 29.41943 211.4363 31.05618 211.9185 32.76009 212.4006 34.71544 212.8827 36.34256 213.3648 37.16167 213.8469 36.92853 214.3290 36.85072 214.8112 37.17258 215.2933 37.67894 215.7754 37.59877 216.2575 36.84575 216.7396 35.66132 217.2217 34.18236 217.7038 32.41750 218.1860 30.34909 218.6681 27.90341 219.1502 25.18335 219.6323 22.70023 220.1144 20.58598 220.5965 18.58191 221.0787 16.48636 221.5608 14.14848 222.0429 12.06410 222.5250 10.29053 223.0071 8.885742 223.4892 7.883270 223.9714 7.133636 224.4535 6.438004 224.9356 5.965042 225.4177 5.904480 225.8998 5.699905 226.3819 5.339676 226.8641 4.809845 227.3462 4.058456 227.8283 2.940445 228.3104 1.816147 228.7925 0.7750240 229.2746 0.6416630 229.7568 0.8340150 230.2389 0.9796300 230.7210 3.934723 231.2031 5.112885 231.6852 3.516159 232.1673 1.612885 232.6495 0.5800930 233.1316 0.6266940 233.6137 1.122467 234.0958 2.260666 234.5779 3.795822 235.0600 5.020599 235.5422 5.819138 236.0243 6.492111 236.5064 7.109924 236.9885 7.396545 237.4706 8.305176 237.9527 10.29228 238.4349 12.77017 238.9170 14.17273 239.3991 13.83167 239.8812 13.41208 240.3633 13.56490 240.8454 14.31749 241.3276 15.63557 241.8097 17.91437 242.2918 20.59764 242.7739 22.36092 243.2560 22.53021 243.7381 22.83586 244.2203 24.00856 244.7024 26.48938 245.1845 28.56253 245.6666 29.97952 246.1487 31.10434 246.6308 32.72179 247.1130 35.26039 247.5951 37.60727 248.0772 39.15674 248.5593 39.40508 249.0414 40.78586 249.5235 43.98456 250.0057 47.96062 250.4878 50.88785 250.9699 52.01079 251.4520 53.21545 251.9341 55.29272 252.4162 58.61128 252.8984 61.11176 253.3805 62.25092 253.8626 62.93750 254.3447 64.68182 254.8268 68.44925 255.3089 71.25409 255.7911 71.98920 256.2732 70.33601 256.7553 69.45338 257.2374 69.75012 257.7195 70.23326 258.2017 69.70529 258.6838 67.89168 259.1659 65.84045 259.6480 63.68724 260.1301 61.41858 260.6122 59.62772 261.0944 58.55885 261.5765 57.45102 262.0586 55.38309 262.5407 52.03099 263.0228 48.92628 263.5049 46.49702 263.9871 44.65977 264.4692 41.75389 264.9513 37.13591 265.4334 32.48882 265.9155 29.52483 266.3976 28.99432 266.8798 27.75548 267.3619 24.96268 267.8440 20.88246 268.3261 17.98619 268.8082 16.62975 269.2903 15.70343 269.7725 14.32397 270.2546 12.40372 270.7367 10.56427 271.2188 8.891190 271.7009 7.382484 272.1830 5.936523 272.6652 4.477921 273.1473 3.323555 273.6294 2.876091 274.1115 3.341148 274.5936 3.164497 275.0757 1.959732 275.5579 0.1738890 276.0400 0.8257220 276.5221 0.9073410 277.0042 0.7425230 277.4863 0.7991410 277.9684 1.125717 278.4506 0.8515850 278.9327 0.4193800 279.4148 1.896385 279.8969 1.458992 280.3790 1.244644 280.8611 3.383965 281.3433 2.998528 281.8254 0.1116490 282.3075 1.566658 282.7896 1.724571 283.2717 1.126488 283.7538 0.8507540 284.2360 0.8984380 284.7181 1.239830 285.2002 2.095436 285.6823 3.360199 286.1644 4.003250 286.6465 3.931412 287.1287 3.557671 287.6108 3.252998 288.0929 3.041542 288.5750 3.242622 289.0571 4.182030 289.5392 5.639069 290.0214 6.688515 290.5035 7.291862 290.9856 7.783905 291.4677 8.647163 291.9498 9.780113 292.4319 10.51385 292.9141 10.48997 293.3962 10.02967 293.8783 9.907143 294.3604 10.12960 294.8425 10.36680 295.3246 10.39887 295.8068 10.22519 296.2889 9.782860 296.7710 8.835274 297.2531 7.869736 297.7352 7.924736 298.2173 8.884956 298.6995 9.761307 299.1816 9.836479 299.6637 9.306473 300.1458 8.518890 300.6279 7.420815 301.1100 6.318794 301.5922 5.613922 302.0743 5.250725 302.5564 5.011292 303.0385 4.943825 303.5206 4.858200 304.0027 4.341522 304.4849 3.206543 304.9670 2.215881 305.4491 2.568115 305.9312 3.679886 306.4133 4.151878 306.8954 2.537018 307.3776 0.3459470 307.8597 0.7401500 308.3418 0.5358580 308.8239 0.2548900 309.3060 0.8891220 309.7881 2.028694 310.2703 3.002037 310.7524 3.603653 311.2345 3.906868 311.7166 3.817375 312.1987 3.355415 312.6808 2.981979 313.1630 3.296951 313.6451 3.709740 314.1272 3.581451 314.6093 1.976112 315.0914 0.4713970 315.5735 0.1072620 316.0557 0.1227110 316.5378 0.5370710 317.0199 1.420235 317.5020 2.066383 317.9841 1.860466 318.4662 0.2925030 318.9484 1.871468 319.4305 1.391891 319.9126 0.3558650 320.3947 1.296074 320.8768 6.2346999E-02 321.3589 1.551163 321.8411 2.618256 322.3232 2.709541 322.8053 2.999893 323.2874 4.083298 323.7695 5.454170 324.2516 6.304199 324.7338 5.671570 325.2159 5.218567 325.6980 5.476120 326.1801 6.599350 326.6622 7.948189 327.1443 10.13228 327.6265 12.24803 328.1086 13.37415 328.5907 11.63213 329.0728 10.99161 329.5549 12.45737 330.0370 16.06473 330.5192 19.10440 331.0013 21.55077 331.4834 23.47833 331.9655 24.86954 332.4476 24.93670 332.9297 25.85085 333.4119 28.11766 333.8940 31.36842 334.3761 34.10794 334.8582 36.04379 335.3403 37.86096 335.8224 39.87314 336.3046 42.17220 336.7867 44.60753 337.2688 47.21676 337.7509 49.85905 338.2330 52.18826 338.7151 54.01701 339.1973 56.01782 339.6794 58.56792 340.1615 61.49323 340.6436 64.67931 341.1257 68.14963 341.6078 71.75185 342.0899 75.22731 342.5721 78.48689 343.0542 82.09258 343.5363 86.23428 344.0184 90.80776 344.5005 95.63141 344.9826 100.7300 345.4648 105.6098 345.9469 109.5713 346.4290 112.7854 346.9111 116.1694 347.3932 119.9897 347.8753 123.9874 348.3575 127.7412 348.8396 131.2128 349.3217 134.1857 349.8038 136.5691 350.2859 138.3046 350.7680 139.3731 351.2502 139.8780 351.7323 139.2934 352.2144 136.8871 352.6965 132.8591 353.1786 127.8787 353.6607 121.9154 354.1429 115.3601 354.6250 108.5474 355.1071 101.4847 355.5892 94.56760 356.0713 87.89107 356.5534 81.60487 357.0356 75.93130 357.5177 71.10419 357.9998 66.76566 358.4819 63.04343 358.9640 59.79175 359.4461 56.28756 359.9283 51.82909 360.4104 47.12758 360.8925 42.75723 361.3746 38.82532 361.8567 35.26952 362.3388 31.77998 362.8210 28.64657 363.3031 26.46316 363.7852 26.46616 364.2673 26.62162 364.7494 25.91997 365.2315 23.99094 365.7137 21.94466 366.1958 19.85701 366.6779 17.94423 367.1600 16.38092 367.6421 15.38647 368.1242 14.49065 368.6064 13.77853 369.0885 13.29260 369.5706 12.34818 370.0527 10.38183 370.5348 8.428230 371.0169 7.143951 371.4991 7.150970 371.9812 6.770073 372.4633 5.607948 372.9454 4.078400 373.4275 3.734032 373.9096 5.249458 374.3918 6.623840 374.8739 6.741028 375.3560 5.201958 375.8381 4.460709 376.3202 4.959641 376.8023 5.893715 377.2845 6.046059 377.7666 5.236763 378.2487 4.138786 378.7308 3.057198 379.2129 1.990990 379.6950 0.9209750 380.1772 0.2168660 380.6593 1.204849 381.1414 1.917831 381.6235 2.337135 382.1056 2.307541 382.5877 1.740211 383.0699 0.7968670 383.5520 0.5393300 384.0341 2.198311 384.5162 3.290298 384.9983 2.713516 385.4804 1.240387 385.9626 0.6587910 386.4447 1.264809 386.9268 2.118614 387.4089 2.280174 387.8910 1.957733 388.3731 1.614098 388.8553 1.395981 389.3374 1.287895 389.8195 1.244713 390.3016 1.272095 390.7837 1.486908 391.2658 2.425415 391.7480 3.392448 392.2301 3.584282 392.7122 1.929169 393.1943 0.6392140 393.6764 1.105171 394.1585 2.817184 394.6407 4.308449 395.1228 5.304031 395.6049 5.786682 396.0870 5.516106 396.5691 3.991562 397.0512 3.286484 397.5334 4.517731 398.0155 6.550819 398.4976 7.948349 398.9797 8.291962 399.4618 8.290558 399.9439 7.733627 400.4261 6.626633 400.9082 6.522003 401.3903 8.121902 401.8724 10.05345 402.3545 11.45857 402.8366 12.12962 403.3188 12.67035 403.8009 13.01234 404.2830 13.28618 404.7651 13.84615 405.2472 14.75607 405.7293 15.75616 406.2115 16.77301 406.6936 17.80083 407.1757 18.75481 407.6578 19.63292 408.1399 20.45000 408.6220 21.18785 409.1042 21.85117 409.5863 22.63336 410.0684 23.60747 410.5505 24.71413 411.0326 25.97929 411.5147 27.39568 411.9969 28.58417 412.4790 28.99168 412.9611 29.00230 413.4432 29.56049 413.9253 30.85965 414.4074 32.47505 414.8896 34.14211 415.3717 35.78543 415.8538 37.21347 416.3359 38.11101 416.8180 38.88380 417.3001 39.86203 417.7823 41.06445 418.2644 42.36467 418.7465 43.69000 419.2286 45.10634 419.7107 46.65688 420.1928 48.35408 420.6750 50.20998 421.1571 52.45349 421.6392 54.88664 422.1213 56.93660 422.6034 58.17484 423.0855 59.23260 423.5677 60.29396 424.0498 61.25345 424.5319 62.63339 425.0140 64.89841 425.4961 67.42052 425.9782 69.55875 426.4604 70.89185 426.9425 72.45097 427.4246 74.26845 427.9067 76.40669 428.3888 79.24150 428.8709 83.07286 429.3531 87.05856 429.8352 90.93661 430.3173 94.79453 430.7994 97.55536 431.2815 98.65134 431.7636 99.49649 432.2458 102.6185 432.7279 108.1493 433.2100 113.6735 433.6921 118.1663 434.1742 122.0377 434.6563 126.8115 435.1385 132.5744 435.6206 138.4000 436.1027 143.1594 436.5848 147.3700 437.0669 152.3860 437.5490 158.4905 438.0312 165.5128 438.5133 173.9386 438.9954 183.3211 439.4775 192.2623 439.9596 199.4448 440.4417 206.3699 440.9239 214.4295 441.4060 223.6867 441.8881 233.2442 442.3702 242.2209 442.8523 251.5065 443.3344 262.0436 443.8166 274.6996 444.2987 287.8922 444.7808 300.8715 445.2629 313.9664 445.7450 328.2639 446.2271 344.0873 446.7093 360.6827 447.1914 377.8083 447.6735 395.6464 448.1556 413.6868 448.6377 431.6960 449.1198 449.7896 449.6020 468.1162 450.0841 486.2479 450.5662 505.0284 451.0483 525.2153 451.5304 546.1962 452.0125 565.2939 452.4947 583.3534 452.9768 597.2728 453.4589 605.2394 453.9410 607.2350 454.4231 605.5189 454.9052 599.8026 455.3874 591.4423 455.8695 582.5078 456.3516 572.6549 456.8337 559.5424 457.3158 540.8352 457.7979 519.5679 458.2801 501.3643 458.7622 485.8859 459.2443 470.0172 459.7264 451.1096 460.2085 430.8579 460.6906 411.5746 461.1728 393.5599 461.6549 376.6352 462.1370 361.1031 462.6191 346.9781 463.1012 334.7448 463.5833 326.0349 464.0655 317.6096 464.5476 307.9077 465.0297 297.0776 465.5118 286.5897 465.9939 277.5653 466.4760 268.8481 466.9582 259.8248 467.4403 249.3077 467.9224 240.2386 468.4045 233.1081 468.8866 227.3460 469.3687 222.2113 469.8509 218.8570 470.3330 213.9688 470.8151 206.1575 471.2972 195.8457 471.7793 187.7372 472.2614 182.4651 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