#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:34:00 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1150 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000570.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_1000570 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 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 R050317.rod _rod_data_source.block 3500000 _rod_database.code 1000570 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 114.7008 0.0000000E+00 115.1829 1.776825 115.6650 3.247223 116.1471 3.517761 116.6293 0.5466000 117.1114 0.6001590 117.5935 0.9125670 118.0756 2.577362 118.5577 3.385437 119.0398 3.847656 119.5220 5.303314 120.0041 8.608459 120.4862 13.14630 120.9683 17.32492 121.4504 21.09946 121.9325 24.56671 122.4147 27.67599 122.8968 30.38342 123.3789 32.98447 123.8610 36.00690 124.3431 38.84378 124.8252 40.79648 125.3074 41.55756 125.7895 41.75305 126.2716 42.25836 126.7537 43.35843 127.2358 43.91945 127.7179 43.55154 128.2001 42.65216 128.6822 41.39438 129.1643 39.79898 129.6464 37.94310 130.1285 36.64677 130.6107 37.33228 131.0928 37.30151 131.5749 35.17204 132.0570 31.70471 132.5391 28.74020 133.0212 28.11604 133.5034 30.47340 133.9855 30.59674 134.4676 27.44716 134.9497 23.42319 135.4318 19.54370 135.9139 16.06689 136.3960 13.14456 136.8782 10.83768 137.3603 9.068298 137.8424 8.020477 138.3245 7.952469 138.8066 9.441635 139.2887 12.01907 139.7709 15.35199 140.2530 18.74043 140.7351 21.04836 141.2172 21.39323 141.6993 22.36252 142.1814 24.94444 142.6636 27.66289 143.1457 29.92902 143.6278 30.88367 144.1099 31.88654 144.5920 34.30212 145.0741 38.15898 145.5563 42.29536 146.0384 45.46620 146.5205 47.44069 147.0026 50.20410 147.4847 55.22139 147.9668 60.38564 148.4490 64.67516 148.9311 67.84663 149.4132 70.26611 149.8953 72.53661 150.3774 75.21149 150.8595 76.44388 151.3417 75.95270 151.8238 74.37250 152.3059 72.12808 152.7880 69.41006 153.2701 66.17668 153.7522 62.36047 154.2344 57.35056 154.7165 52.40997 155.1986 47.55850 155.6807 42.79323 156.1628 38.11003 156.6449 33.52843 157.1271 29.01967 157.6092 24.48009 158.0913 19.05972 158.5734 14.48262 159.0555 11.58653 159.5376 9.976105 160.0198 8.678085 160.5019 7.284882 160.9840 5.724808 161.4661 3.848511 161.9482 1.164047 162.4303 1.324478 162.9125 2.913483 163.3946 3.627045 163.8767 3.933990 164.3588 3.823547 164.8409 3.544220 165.3230 3.567947 165.8052 4.295883 166.2873 5.062088 166.7694 4.741852 167.2515 2.901840 167.7336 1.478729 168.2157 2.157501 168.6979 3.582336 169.1800 4.083511 169.6621 2.654510 170.1442 6.3950002E-02 170.6263 1.456543 171.1084 1.150665 171.5906 0.9270630 172.0727 1.346100 172.5548 2.660767 173.0369 4.197174 173.5190 5.855072 174.0011 7.605560 174.4833 9.207535 174.9654 10.78897 175.4475 12.09129 175.9296 12.75089 176.4117 13.03421 176.8938 13.42209 177.3760 14.28923 177.8581 15.65083 178.3402 16.90324 178.8223 17.69888 179.3044 18.72668 179.7865 20.43245 180.2687 22.63490 180.7508 24.77863 181.2329 26.37917 181.7150 27.38243 182.1971 28.39975 182.6792 29.26562 183.1614 30.27211 183.6435 31.52437 184.1256 33.04890 184.6077 34.96259 185.0898 37.58086 185.5719 40.92670 186.0541 43.36752 186.5362 44.11565 187.0183 44.37431 187.5004 45.15858 187.9825 46.57649 188.4646 48.42686 188.9468 50.88084 189.4289 53.72748 189.9110 56.09296 190.3931 57.27396 190.8752 58.00783 191.3573 59.56328 191.8395 62.29604 192.3216 65.10434 192.8037 67.05043 193.2858 68.41425 193.7679 69.78874 194.2500 71.55652 194.7322 73.55052 195.2143 75.39461 195.6964 77.63686 196.1785 78.71043 196.6606 77.09373 197.1427 73.82651 197.6249 71.24133 198.1070 71.44794 198.5891 74.02699 199.0712 74.69273 199.5533 71.67395 200.0354 68.56268 200.5176 66.78201 200.9997 66.02008 201.4818 65.41980 201.9639 64.28972 202.4460 62.61353 202.9281 61.26622 203.4103 60.17108 203.8924 59.52850 204.3745 59.53008 204.8566 60.07278 205.3387 60.95390 205.8208 62.06638 206.3030 63.49281 206.7851 64.38358 207.2672 63.72157 207.7493 63.52159 208.2314 64.89534 208.7135 67.56047 209.1957 70.37350 209.6778 72.23752 210.1599 72.91852 210.6420 74.52092 211.1241 77.94646 211.6062 81.31277 212.0884 83.80653 212.5705 85.34131 213.0526 86.06903 213.5347 85.94281 214.0168 84.81097 214.4989 84.59375 214.9811 85.93129 215.4632 87.56831 215.9453 88.79504 216.4274 89.54204 216.9095 89.98532 217.3916 90.36420 217.8737 90.61298 218.3559 90.11868 218.8380 88.17987 219.3201 85.92191 219.8022 84.42525 220.2843 83.70226 220.7664 82.80518 221.2486 80.74905 221.7307 77.87053 222.2128 75.62650 222.6949 74.45488 223.1770 73.89191 223.6591 73.64238 224.1413 73.79367 224.6234 73.56334 225.1055 72.09392 225.5876 69.90216 226.0697 67.75180 226.5518 65.58936 227.0340 63.71770 227.5161 62.86719 227.9982 63.44569 228.4803 63.85359 228.9624 62.86946 229.4445 61.18985 229.9267 59.72134 230.4088 59.00679 230.8909 58.53305 231.3730 57.16090 231.8551 54.39285 232.3372 52.00459 232.8194 50.79260 233.3015 50.28619 233.7836 50.03209 234.2657 49.91389 234.7478 49.84247 235.2299 49.55597 235.7121 48.83353 236.1942 48.34946 236.6763 48.37595 237.1584 48.66277 237.6405 48.94769 238.1227 49.10846 238.6048 49.24167 239.0869 49.57436 239.5690 50.07440 240.0511 50.85300 240.5332 52.18878 241.0154 53.64996 241.4975 54.72867 241.9796 55.20253 242.4617 55.38179 242.9438 56.01907 243.4259 57.37788 243.9081 58.81778 244.3902 60.72917 244.8723 62.47128 245.3544 63.13841 245.8365 62.41721 246.3186 61.18689 246.8008 61.48230 247.2829 64.34602 247.7650 67.41437 248.2471 71.49484 248.7292 75.23787 249.2113 77.05852 249.6935 76.50255 250.1756 74.89066 250.6577 74.81068 251.1398 77.41386 251.6219 80.05745 252.1040 83.22240 252.5862 86.24374 253.0683 88.34128 253.5504 89.28062 254.0325 89.51118 254.5146 89.75871 254.9967 89.99638 255.4789 90.31433 255.9610 91.13872 256.4431 91.78770 256.9252 91.52435 257.4073 90.23076 257.8894 88.63243 258.3716 87.78593 258.8537 88.33733 259.3358 87.68724 259.8179 85.12939 260.3000 81.67427 260.7821 77.90681 261.2643 74.00565 261.7464 70.62590 262.2285 68.77435 262.7106 68.98137 263.1927 67.84822 263.6748 64.23746 264.1570 59.85031 264.6391 55.91681 265.1212 52.61885 265.6033 49.91978 266.0854 48.06635 266.5675 47.09604 267.0497 45.26784 267.5318 41.60063 268.0139 37.69266 268.4960 34.92551 268.9781 33.34496 269.4602 31.92206 269.9424 29.87683 270.4245 27.28940 270.9066 24.92551 271.3887 22.62596 271.8708 20.68535 272.3529 19.53992 272.8351 19.12210 273.3172 18.67117 273.7993 17.76599 274.2814 16.44356 274.7635 14.94751 275.2456 12.93002 275.7278 11.13711 276.2099 10.26605 276.6920 10.21507 277.1741 10.11028 277.6562 9.458984 278.1383 8.563400 278.6205 8.097260 279.1026 8.278915 279.5847 8.406250 280.0668 7.688904 280.5489 6.345871 281.0310 5.846725 281.5132 7.320938 281.9953 9.240921 282.4774 9.284286 282.9595 7.126404 283.4416 5.047455 283.9237 4.623199 284.4059 5.481201 284.8880 5.999222 285.3701 5.559158 285.8522 4.985733 286.3343 5.239952 286.8164 6.276421 287.2986 7.242134 287.7807 7.744019 288.2628 7.826622 288.7449 7.487671 289.2270 6.331306 289.7091 5.493164 290.1913 6.340363 290.6734 8.384651 291.1555 9.857208 291.6376 9.509537 292.1197 8.044312 292.6018 7.036514 293.0840 6.511368 293.5661 6.587677 294.0482 8.000610 294.5303 9.999100 295.0124 11.14478 295.4945 10.38985 295.9767 8.709648 296.4588 7.846626 296.9409 7.953766 297.4230 8.359734 297.9051 9.243530 298.3872 10.06788 298.8694 10.03428 299.3515 8.605125 299.8336 6.772911 300.3157 5.992363 300.7978 6.480896 301.2799 6.669640 301.7621 5.389381 302.2442 3.828568 302.7263 3.207764 303.2084 3.889763 303.6905 4.641388 304.1726 3.918976 304.6548 1.636597 305.1369 7.4310000E-03 305.6190 0.2491150 306.1011 0.1958080 306.5832 1.017860 307.0653 2.155952 307.5475 3.016144 308.0296 3.078178 308.5117 2.387970 308.9938 1.422569 309.4759 0.1154170 309.9580 1.482338 310.4402 2.167107 310.9223 2.269478 311.4044 2.188828 311.8865 2.147179 312.3686 2.121353 312.8507 1.965401 313.3329 1.504181 313.8150 1.227310 314.2971 1.481071 314.7792 2.071083 315.2613 2.686058 315.7434 3.380989 316.2256 3.889214 316.7077 3.456261 317.1898 1.656784 317.6719 9.0476997E-02 318.1540 0.6307300 318.6361 0.7225880 319.1183 0.2357940 319.6004 0.9964750 320.0825 2.284325 320.5646 2.677673 321.0467 2.114182 321.5288 1.421700 322.0110 0.5053480 322.4931 0.2850880 322.9752 0.5659790 323.4573 0.2448270 323.9394 0.2127690 324.4215 0.3773880 324.9037 0.2530900 325.3858 4.8004001E-02 325.8679 0.2718200 326.3500 0.5898670 326.8321 0.7398990 327.3142 0.7534330 327.7964 0.9098510 328.2785 1.521255 328.7606 2.470901 329.2427 3.209244 329.7248 3.722420 330.2069 3.987488 330.6891 3.819092 331.1712 3.397652 331.6533 3.145874 332.1354 3.160950 332.6175 3.504494 333.0996 4.381218 333.5818 5.931412 334.0639 7.571648 334.5460 9.629730 335.0281 11.40147 335.5102 11.76567 335.9923 9.964111 336.4745 7.774551 336.9566 7.412621 337.4387 8.987671 337.9208 10.54016 338.4029 11.39897 338.8850 11.98294 339.3671 12.67068 339.8492 13.49596 340.3314 14.41325 340.8135 15.48677 341.2956 16.67049 341.7777 17.53673 342.2598 17.66301 342.7419 17.98574 343.2241 19.48819 343.7062 21.94942 344.1883 24.25256 344.6704 25.75172 345.1525 26.74619 345.6346 27.89143 346.1168 29.26469 346.5989 30.63171 347.0810 31.74297 347.5631 32.72810 348.0452 33.84158 348.5273 35.25522 349.0095 36.73051 349.4916 38.04520 349.9737 39.19012 350.4558 40.14987 350.9379 41.08393 351.4200 41.68254 351.9022 41.47830 352.3843 40.24982 352.8664 38.76420 353.3485 37.46883 353.8306 36.32715 354.3127 35.23235 354.7949 34.22816 355.2770 33.13986 355.7591 31.58286 356.2412 29.55955 356.7233 27.87315 357.2054 27.37410 357.6876 27.20499 358.1697 25.80714 358.6518 22.83928 359.1339 19.70484 359.6160 17.67488 360.0981 16.56076 360.5803 15.38840 361.0624 13.73456 361.5445 12.22935 362.0266 11.59269 362.5087 11.70555 362.9908 11.62517 363.4730 10.72444 363.9551 9.350960 364.4372 8.520058 364.9193 8.571259 365.4014 8.556786 365.8835 8.103714 366.3657 7.304985 366.8478 6.144768 367.3299 4.469154 367.8120 2.938705 368.2941 3.033066 368.7762 5.320137 369.2584 6.800858 369.7405 6.629456 370.2226 5.716255 370.7047 4.889885 371.1868 4.284096 371.6689 3.628136 372.1511 2.544441 372.6332 0.9938510 373.1153 0.2202610 373.5974 0.8909300 374.0795 1.593765 374.5616 1.831902 375.0438 1.700783 375.5259 1.253059 376.0080 0.4012830 376.4901 0.7199940 376.9722 1.563560 377.4543 2.413567 377.9365 2.799782 378.4186 2.123932 378.9007 1.064232 379.3828 0.5100250 379.8649 0.6688540 380.3470 0.9816130 380.8292 0.6209720 381.3113 0.8944850 381.7934 1.485748 382.2755 0.4916080 382.7576 0.6779940 383.2397 1.387833 383.7219 1.561996 384.2040 1.253342 384.6861 0.4384460 385.1682 0.8237610 385.6503 1.604630 386.1324 1.697235 386.6146 1.496368 387.0967 0.5391690 387.5788 0.5043030 388.0609 0.6846310 388.5430 0.3957980 389.0251 2.102066 389.5073 3.143494 389.9894 3.161102 390.4715 3.247925 390.9536 3.903748 391.4357 4.309998 391.9178 3.500610 392.4000 1.680328 392.8821 0.2386630 393.3642 0.7840420 393.8463 3.404648 394.3284 5.030746 394.8105 4.684921 395.2927 4.443192 395.7748 5.084320 396.2569 6.288162 396.7390 7.536209 397.2211 8.623856 397.7032 9.491257 398.1854 9.959671 398.6675 9.932129 399.1496 9.803711 399.6317 9.623795 400.1138 9.422318 400.5959 9.113373 401.0781 8.694901 401.5602 8.537277 402.0423 9.152863 402.5244 10.45581 403.0065 11.45381 403.4886 11.72916 403.9708 12.13420 404.4529 13.65105 404.9350 15.80721 405.4171 17.25278 405.8992 17.14983 406.3813 16.12912 406.8635 14.88446 407.3456 13.31311 407.8277 12.46040 408.3098 12.92975 408.7919 14.46486 409.2740 16.74173 409.7562 20.26729 410.2383 23.16235 410.7204 23.86240 411.2025 23.01508 411.6846 22.47729 412.1667 22.68684 412.6489 23.39816 413.1310 24.50446 413.6131 26.00044 414.0952 27.23639 414.5773 27.78506 415.0594 28.24051 415.5416 29.32613 416.0237 30.97485 416.5058 32.25955 416.9879 32.35680 417.4700 31.65587 417.9521 32.29391 418.4343 35.74083 418.9164 38.53044 419.3985 38.82237 419.8806 38.15309 420.3627 39.13701 420.8448 42.59219 421.3270 46.60051 421.8091 48.17857 422.2912 45.93355 422.7733 45.20395 423.2554 46.84061 423.7375 49.11395 424.2197 51.32262 424.7018 53.28076 425.1839 54.72975 425.6660 55.34543 426.1481 55.41661 426.6302 57.02274 427.1124 62.10376 427.5945 66.37750 428.0766 68.96466 428.5587 70.69098 429.0408 72.14050 429.5229 73.57617 430.0051 75.49342 430.4872 78.92204 430.9693 84.48665 431.4514 88.87682 431.9335 90.52643 432.4156 92.30275 432.8978 95.51996 433.3799 99.82257 433.8620 104.1374 434.3441 107.6686 434.8262 110.7749 435.3083 114.4723 435.7905 118.8116 436.2726 123.7093 436.7547 129.3891 437.2368 135.4891 437.7189 141.8463 438.2010 148.4654 438.6832 154.8634 439.1653 160.1526 439.6474 164.6558 440.1295 170.4993 440.6116 178.5840 441.0938 186.8599 441.5759 192.8304 442.0580 197.4120 442.5401 203.5872 443.0222 213.2819 443.5043 224.1082 443.9865 233.5053 444.4686 241.6477 444.9507 250.6078 445.4328 261.5176 445.9149 273.6724 446.3970 285.4011 446.8792 296.4629 447.3613 307.7407 447.8434 319.1471 448.3255 331.0794 448.8076 344.1203 449.2897 358.3705 449.7719 373.3652 450.2540 388.8628 450.7361 405.0120 451.2182 420.1973 451.7003 434.8151 452.1824 448.1978 452.6646 459.4865 453.1467 469.4814 453.6288 479.9978 454.1109 491.8929 454.5930 503.2667 455.0751 510.3835 455.5573 512.1938 456.0394 511.4457 456.5215 507.9808 457.0036 502.4808 457.4857 494.8487 457.9678 485.5161 458.4500 475.3339 458.9321 464.8602 459.4142 454.0747 459.8963 442.8698 460.3784 431.3730 460.8605 419.2567 461.3427 405.3135 461.8248 391.3631 462.3069 379.0602 462.7890 368.7463 463.2711 359.3842 463.7532 350.1930 464.2354 341.1459 464.7175 332.1739 465.1996 322.9648 465.6817 314.4209 466.1638 307.1537 466.6459 300.9210 467.1281 295.2588 467.6102 290.3041 468.0923 285.6668 468.5744 280.9813 469.0565 276.2395 469.5386 271.7560 470.0208 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