#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:05 +0300 (Thu, 24 May 2018) $ #$Revision: 664 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000191.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_1000191 loop_ _publ_author_name 'Araki, T.' 'Zoltai, T.' _publ_section_title ; The crystal structure of hanksite ; _journal_name_full 'American Mineralogist' _journal_page_first 799 _journal_page_last 801 _journal_volume 58 _journal_year 1973 _chemical_compound_source R050291 _chemical_formula_sum 'C2 Cl K Na22 O42 S9' _chemical_name_mineral Hanksite _space_group_IT_number 176 _symmetry_space_group_name_Hall '-P 6c' _symmetry_space_group_name_H-M 'P 63/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 10.465 _cell_length_b 10.465 _cell_length_c 21.191 _cell_volume 2009.836 _exptl_crystal_density_diffrn 2.586 _cod_original_formula_sum 'K Na22 C2 S9 O42 Cl' _cod_database_code 9000374 _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 R050291.rod _rod_data_source.block 3500000 _rod_database.code 1000191 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 9000374 COD http://www.crystallography.net/cod/9000374.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 141.0473 0.0000000E+00 141.5294 0.5710450 142.0115 0.4582820 142.4937 1.502228 142.9758 2.978119 143.4579 4.229401 143.9400 8.024658 144.4221 9.817169 144.9042 8.130310 145.3864 5.830994 145.8685 3.647675 146.3506 0.8762210 146.8327 0.9254760 147.3148 1.125519 147.7969 1.158691 148.2791 3.041687 148.7612 4.669586 149.2433 5.894653 149.7254 6.357330 150.2075 4.515839 150.6896 3.256714 151.1718 3.693878 151.6539 7.483063 152.1360 10.53665 152.6181 12.66330 153.1002 13.99524 153.5823 14.90558 154.0645 15.13785 154.5466 15.17590 155.0287 15.22748 155.5108 14.84402 155.9929 15.03134 156.4750 16.43655 156.9572 18.68643 157.4393 20.23630 157.9214 20.32809 158.4035 19.89600 158.8856 19.52600 159.3677 20.10242 159.8499 20.00171 160.3320 18.37653 160.8141 15.48798 161.2962 12.86102 161.7783 11.41046 162.2604 10.29895 162.7426 8.835724 163.2247 5.208771 163.7068 2.589905 164.1889 3.288849 164.6710 7.029816 165.1531 9.909790 165.6353 9.064209 166.1174 6.675018 166.5995 5.090393 167.0816 5.802216 167.5637 7.091461 168.0458 7.883789 168.5280 8.149567 169.0101 8.400818 169.4922 8.856171 169.9743 9.509705 170.4564 10.35315 170.9385 12.19183 171.4207 13.73807 171.9028 13.18582 172.3849 10.34818 172.8670 8.220825 173.3491 9.391235 173.8312 12.89334 174.3134 16.89337 174.7955 20.80194 175.2776 24.61618 175.7597 28.49927 176.2418 32.57016 176.7239 36.03561 177.2061 37.34357 177.6882 37.39819 178.1703 38.61511 178.6524 43.82443 179.1345 50.56012 179.6166 54.40665 180.0988 54.89096 180.5809 53.93396 181.0630 53.33466 181.5451 53.05145 182.0272 52.94162 182.5093 53.40826 182.9915 53.97290 183.4736 53.32346 183.9557 51.19400 184.4378 48.47952 184.9199 46.39343 185.4020 44.86368 185.8842 43.08871 186.3663 40.56158 186.8484 37.41525 187.3305 34.08334 187.8126 30.39972 188.2947 26.97427 188.7769 24.93851 189.2590 24.23904 189.7411 23.78467 190.2232 23.27274 190.7053 22.59970 191.1874 20.93057 191.6696 17.93033 192.1517 14.39420 192.6338 11.31979 193.1159 8.664429 193.5980 7.486969 194.0801 9.814880 194.5623 15.21756 195.0444 17.03113 195.5265 13.58371 196.0086 7.773712 196.4907 6.194092 196.9728 9.321960 197.4550 12.63428 197.9371 13.10629 198.4192 10.68509 198.9013 8.884674 199.3834 8.028809 199.8655 7.856171 200.3477 7.685059 200.8298 7.440826 201.3119 7.554871 201.7940 8.723572 202.2761 11.17673 202.7582 12.00073 203.2404 10.36914 203.7225 7.371307 204.2046 6.002960 204.6867 6.425232 205.1688 7.778198 205.6509 9.918640 206.1331 13.01376 206.6152 15.14847 207.0973 15.88779 207.5794 15.69711 208.0615 15.94717 208.5436 16.64911 209.0258 17.76093 209.5079 19.52170 209.9900 22.27908 210.4721 23.89816 210.9542 23.74542 211.4363 22.49051 211.9185 22.42456 212.4006 23.80078 212.8827 25.82275 213.3648 28.25436 213.8469 31.58286 214.3290 33.60095 214.8112 33.92804 215.2933 32.86649 215.7754 31.39230 216.2575 29.27335 216.7396 27.16537 217.2217 25.50565 217.7038 24.47003 218.1860 23.26190 218.6681 21.43765 219.1502 19.46600 219.6323 19.43332 220.1144 22.62766 220.5965 25.56119 221.0787 26.02908 221.5608 22.95142 222.0429 20.40677 222.5250 18.89810 223.0071 18.07352 223.4892 16.58188 223.9714 13.82758 224.4535 11.33533 224.9356 9.861938 225.4177 9.469604 225.8998 10.10608 226.3819 12.41968 226.8641 15.68924 227.3462 17.18274 227.8283 15.84256 228.3104 14.38519 228.7925 14.42786 229.2746 16.82837 229.7568 18.36206 230.2389 18.38214 230.7210 17.49969 231.2031 17.76276 231.6852 19.61026 232.1673 21.78317 232.6495 23.87659 233.1316 26.22733 233.6137 27.72314 234.0958 27.89227 234.5779 27.23401 235.0600 27.31085 235.5422 28.62854 236.0243 30.02667 236.5064 30.77515 236.9885 30.16479 237.4706 30.63437 237.9527 32.77890 238.4349 35.85025 238.9170 37.87076 239.3991 38.04208 239.8812 38.34888 240.3633 39.62286 240.8454 42.11694 241.3276 44.99637 241.8097 48.50436 242.2918 52.27557 242.7739 55.41898 243.2560 57.47443 243.7381 59.66608 244.2203 62.48190 244.7024 66.53702 245.1845 69.71570 245.6666 71.61050 246.1487 72.82660 246.6308 74.50192 247.1130 76.50021 247.5951 79.20541 248.0772 83.06326 248.5593 88.89551 249.0414 92.90042 249.5235 94.58548 250.0057 94.74878 250.4878 94.66461 250.9699 94.25961 251.4520 93.72287 251.9341 93.16406 252.4162 92.65918 252.8984 91.71777 253.3805 90.13849 253.8626 88.26105 254.3447 86.59000 254.8268 85.04462 255.3089 83.82697 255.7911 83.10263 256.2732 82.98624 256.7553 82.84439 257.2374 82.73581 257.7195 82.24677 258.2017 80.77429 258.6838 77.88062 259.1659 75.12686 259.6480 73.04419 260.1301 71.74155 260.6122 69.58899 261.0944 66.27194 261.5765 62.42416 262.0586 58.56177 262.5407 54.56845 263.0228 50.94965 263.5049 47.97449 263.9871 45.58167 264.4692 42.82278 264.9513 39.55008 265.4334 36.39392 265.9155 33.77176 266.3976 31.97165 266.8798 30.17749 267.3619 28.26093 267.8440 26.22473 268.3261 24.14404 268.8082 21.90424 269.2903 19.86160 269.7725 18.38766 270.2546 17.62839 270.7367 16.86038 271.2188 16.02286 271.7009 15.09808 272.1830 13.89285 272.6652 12.27338 273.1473 10.75745 273.6294 9.582245 274.1115 8.696198 274.5936 8.536102 275.0757 9.205322 275.5579 10.57291 276.0400 12.72131 276.5221 16.13501 277.0042 18.37207 277.4863 17.44006 277.9684 13.05569 278.4506 9.331787 278.9327 6.464600 279.4148 4.496368 279.8969 3.800049 280.3790 4.570068 280.8611 5.367950 281.3433 5.290070 281.8254 4.362610 282.3075 4.235687 282.7896 5.181458 283.2717 6.449829 283.7538 7.058136 284.2360 7.053436 284.7181 6.099030 285.2002 3.493134 285.6823 0.4628300 286.1644 3.149170 286.6465 4.449310 287.1287 4.837189 287.6108 4.839264 288.0929 4.455780 288.5750 3.566498 289.0571 1.592377 289.5392 0.9499510 290.0214 1.912811 290.5035 1.258606 290.9856 0.1736150 291.4677 6.9885001E-02 291.9498 0.3910830 292.4319 0.6566470 292.9141 0.1586000 293.3962 0.5464480 293.8783 0.1865540 294.3604 2.381439 294.8425 4.478394 295.3246 4.999969 295.8068 4.317963 296.2889 3.653229 296.7710 3.304901 297.2531 3.106232 297.7352 2.809235 298.2173 2.419159 298.6995 1.965210 299.1816 1.388885 299.6637 0.7672420 300.1458 0.1581730 300.6279 0.6493840 301.1100 0.9834290 301.5922 0.6578060 302.0743 3.742401 302.5564 6.125275 303.0385 6.042694 303.5206 4.714508 304.0027 3.738159 304.4849 3.317139 304.9670 3.251831 305.4491 3.653137 305.9312 4.308746 306.4133 4.710541 306.8954 4.259399 307.3776 3.627319 307.8597 3.600708 308.3418 4.289764 308.8239 4.966675 309.3060 4.961609 309.7881 4.622345 310.2703 4.490753 310.7524 5.011963 311.2345 5.662140 311.7166 6.387909 312.1987 7.141754 312.6808 6.981628 313.1630 4.275482 313.6451 0.7804260 314.1272 1.637421 314.6093 1.997864 315.0914 1.481384 315.5735 3.9032001E-02 316.0557 2.058746 316.5378 3.386505 317.0199 2.039368 317.5020 0.4422000 317.9841 0.5398560 318.4662 4.590576 318.9484 7.638275 319.4305 7.319580 319.9126 4.692352 320.3947 2.532959 320.8768 2.219604 321.3589 2.145294 321.8411 1.284882 322.3232 1.430298 322.8053 2.685089 323.2874 0.3578190 323.7695 3.596527 324.2516 6.081451 324.7338 4.958038 325.2159 3.826294 325.6980 4.055328 326.1801 6.235413 326.6622 7.379486 327.1443 6.001831 327.6265 4.059509 328.1086 3.531128 328.5907 6.269440 329.0728 8.391937 329.5549 9.145935 330.0370 8.524261 330.5192 8.133301 331.0013 8.252960 331.4834 8.368378 331.9655 8.127655 332.4476 7.422699 332.9297 6.507965 333.4119 5.134399 333.8940 3.534363 334.3761 2.856445 334.8582 3.622253 335.3403 4.485931 335.8224 4.761261 336.3046 4.275452 336.7867 3.580841 337.2688 2.278503 337.7509 1.072571 338.2330 1.785034 338.7151 5.250641 339.1973 7.985535 339.6794 8.438782 340.1615 6.498230 340.6436 4.531281 341.1257 2.261017 341.6078 0.6191410 342.0899 1.477509 342.5721 5.099274 343.0542 7.532043 343.5363 7.113007 344.0184 4.464691 344.5005 2.939026 344.9826 2.689087 345.4648 2.636047 345.9469 1.402496 346.4290 0.6853030 346.9111 0.9545290 347.3932 1.714264 347.8753 5.456177 348.3575 6.751984 348.8396 5.745880 349.3217 4.192200 349.8038 2.509491 350.2859 1.120270 350.7680 1.564148 351.2502 4.397003 351.7323 7.514587 352.2144 8.341736 352.6965 7.335907 353.1786 5.884705 353.6607 3.970032 354.1429 2.340607 354.6250 2.220459 355.1071 3.707001 355.5892 5.349670 356.0713 6.254852 356.5534 6.557709 357.0356 6.446075 357.5177 5.731537 357.9998 4.831390 358.4819 4.110992 358.9640 3.528198 359.4461 2.796967 359.9283 1.057739 360.4104 0.6992800 360.8925 1.592560 361.3746 1.072449 361.8567 0.2969360 362.3388 0.3289180 362.8210 0.8609620 363.3031 1.447784 363.7852 2.329895 364.2673 3.114746 364.7494 3.530701 365.2315 3.379791 365.7137 3.488953 366.1958 4.791290 366.6779 6.169464 367.1600 6.319702 367.6421 2.873322 368.1242 0.4880370 368.6064 0.7621770 369.0885 3.891022 369.5706 5.616638 370.0527 5.017822 370.5348 3.749603 371.0169 2.771606 371.4991 1.348206 371.9812 1.409851 372.4633 4.425598 372.9454 9.169922 373.4275 10.93176 373.9096 8.260803 374.3918 5.049683 374.8739 3.118225 375.3560 2.696594 375.8381 2.234406 376.3202 1.662720 376.8023 1.196106 377.2845 1.483185 377.7666 2.771667 378.2487 3.325806 378.7308 2.012238 379.2129 0.6725160 379.6950 0.9939270 380.1772 1.220734 380.6593 4.125580 381.1414 6.827332 381.6235 9.128418 382.1056 9.393188 382.5877 6.515747 383.0699 2.497467 383.5520 1.613678 384.0341 3.554016 384.5162 5.190613 384.9983 3.759827 385.4804 0.7023010 385.9626 0.7856450 386.4447 0.2426450 386.9268 1.113037 387.4089 2.441376 387.8910 3.651093 388.3731 4.501953 388.8553 4.921570 389.3374 4.913452 389.8195 4.192993 390.3016 2.827667 390.7837 1.744690 391.2658 1.738617 391.7480 2.231720 392.2301 2.640442 392.7122 2.843384 393.1943 2.906219 393.6764 2.913727 394.1585 2.816040 394.6407 2.459930 395.1228 1.058167 395.6049 4.8827998E-02 396.0870 8.4229996E-03 396.5691 1.741089 397.0512 3.242950 397.5334 4.523865 398.0155 5.265289 398.4976 5.055023 398.9797 2.409790 399.4618 0.3028560 399.9439 0.3544920 400.4261 0.4075930 400.9082 0.5788880 401.3903 0.6362300 401.8724 1.700592 402.3545 1.627197 402.8366 0.1014100 403.3188 2.033051 403.8009 5.575500 404.2830 9.253723 404.7651 9.667694 405.2472 5.810303 405.7293 1.849976 406.2115 0.6612850 406.6936 1.694672 407.1757 1.316193 407.6578 0.9273380 408.1399 3.366272 408.6220 3.748627 409.1042 2.130676 409.5863 1.165131 410.0684 1.851959 410.5505 3.400391 411.0326 3.870605 411.5147 3.295197 411.9969 2.628906 412.4790 2.453430 412.9611 2.702087 413.4432 3.355682 413.9253 4.565002 414.4074 5.614502 414.8896 5.500885 415.3717 4.624512 415.8538 3.920502 416.3359 3.679535 416.8180 3.914307 417.3001 4.796082 417.7823 6.314148 418.2644 7.790253 418.7465 9.626251 419.2286 11.01297 419.7107 10.95361 420.1928 7.480652 420.6750 4.755585 421.1571 4.659027 421.6392 6.530273 422.1213 8.669617 422.6034 11.63324 423.0855 13.90118 423.5677 14.52252 424.0498 12.66501 424.5319 11.91193 425.0140 14.32721 425.4961 17.13223 425.9782 17.37894 426.4604 11.70956 426.9425 8.492950 427.4246 9.924622 427.9067 15.17529 428.3888 18.16675 428.8709 17.82849 429.3531 17.12418 429.8352 17.78470 430.3173 20.11951 430.7994 22.23956 431.2815 24.18610 431.7636 25.73630 432.2458 25.88962 432.7279 24.46783 433.2100 24.61539 433.6921 28.10751 434.1742 33.92740 434.6563 38.37762 435.1385 41.50031 435.6206 43.80911 436.1027 45.34921 436.5848 46.42102 437.0669 47.60873 437.5490 48.71152 438.0312 50.88300 438.5133 56.67249 438.9954 64.72864 439.4775 71.28589 439.9596 72.86282 440.4417 73.07346 440.9239 74.94931 441.4060 78.67178 441.8881 83.52823 442.3702 89.07019 442.8523 95.51135 443.3344 103.1077 443.8166 112.0668 444.2987 122.0045 444.7808 132.2986 445.2629 143.3842 445.7450 156.6725 446.2271 173.4387 446.7093 191.2598 447.1914 209.0071 447.6735 226.0901 448.1556 245.1441 448.6377 266.9711 449.1198 290.0417 449.6020 312.8033 450.0841 333.8840 450.5662 356.9848 451.0483 384.6722 451.5304 414.8650 452.0125 437.8622 452.4947 453.5965 452.9768 462.6776 453.4589 464.9114 453.9410 460.2013 454.4231 451.4014 454.9052 437.9592 455.3874 422.2793 455.8695 405.9361 456.3516 389.2618 456.8337 375.2282 457.3158 364.6417 457.7979 357.1799 458.2801 353.7263 458.7622 353.6254 459.2443 352.5426 459.7264 347.2254 460.2085 339.3230 460.6906 330.7179 461.1728 321.4961 461.6549 312.5129 462.1370 304.0964 462.6191 296.6452 463.1012 290.9480 463.5833 288.2788 464.0655 286.4717 464.5476 284.5607 465.0297 282.6571 465.5118 281.4697 465.9939 283.3246 466.4760 284.3352 466.9582 282.3647 467.4403 275.6004 467.9224 268.6148 468.4045 261.9727 468.8866 254.9816 469.3687 246.5160 469.8509 236.5222 470.3330 225.3108 470.8151 212.3685 471.2972 198.0027 471.7793 185.8868 472.2614 176.5842 472.7436 167.2618 473.2257 155.5156 473.7078 141.3118 474.1899 128.8347 474.6720 118.4445 475.1541 109.4815 475.6363 100.8831 476.1184 92.76947 476.6005 85.97861 477.0826 81.57819 477.5647 78.26962 478.0468 73.53455 478.5290 67.55969 479.0111 62.04349 479.4932 59.00717 479.9753 56.74860 480.4574 53.15634 480.9395 47.55920 481.4217 41.55551 481.9038 35.28210 482.3859 29.49634 482.8680 25.40967 483.3501 24.30890 483.8322 24.10318 484.3144 24.50491 484.7965 25.39114 485.2786 25.56885 485.7607 24.39536 486.2428 22.81583 486.7249 21.22256 487.2071 19.27682 487.6892 18.16821 488.1713 18.71494 488.6534 19.53564 489.1355 18.31998 489.6176 14.04858 490.0998 10.80142 490.5819 9.813751 491.0640 10.58777 491.5461 10.73779 492.0282 10.28406 492.5103 9.160187 492.9925 6.633484 493.4746 3.169586 493.9567 1.480347 494.4388 1.882324 494.9209 3.228027 495.4030 4.880219 495.8852 6.461456 496.3673 7.016266 496.8494 5.246063 497.3315 3.164429 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