#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:11:16 +0300 (Thu, 26 Apr 2018) $ #$Revision: 455 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000026.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_1000026 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 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 R050291.rod _rod_data_source.block 3500000 _rod_database.code 1000026 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 141.2172 0.0000000E+00 141.6993 1.6780000E-03 142.1814 0.5232930 142.6636 1.771637 143.1457 2.401749 143.6278 1.331299 144.1099 6.7176998E-02 144.5920 0.1567150 145.0741 0.6597440 145.5563 1.678879 146.0384 2.132629 146.5205 1.937553 147.0026 1.869263 147.4847 2.377510 147.9668 2.841949 148.4490 2.794029 148.9311 2.170685 149.4132 1.421867 149.8953 1.270737 150.3774 2.096107 150.8595 2.767120 151.3417 2.858971 151.8238 2.962570 152.3059 3.729523 152.7880 5.364166 153.2701 7.364662 153.7522 8.440193 154.2344 7.817398 154.7165 7.009270 155.1986 5.508690 155.6807 3.990288 156.1628 3.449600 156.6449 4.459297 157.1271 6.538773 157.6092 7.699272 158.0913 7.525169 158.5734 7.122437 159.0555 6.581184 159.5376 6.011284 160.0198 5.754700 160.5019 6.141403 160.9840 6.903137 161.4661 7.065186 161.9482 6.257858 162.4303 5.274063 162.9125 4.508125 163.3946 3.962677 163.8767 3.791641 164.3588 4.417786 164.8409 5.395187 165.3230 5.979034 165.8052 5.990326 166.2873 5.606567 166.7694 4.960457 167.2515 3.942108 167.7336 3.032356 168.2157 2.554497 168.6979 2.280235 169.1800 2.113663 169.6621 2.173622 170.1442 2.377007 170.6263 2.506546 171.1084 2.616096 171.5906 2.540710 172.0727 1.935989 172.5548 1.226967 173.0369 0.9569170 173.5190 1.628044 174.0011 3.088722 174.4833 4.049355 174.9654 3.848747 175.4475 3.770706 175.9296 4.183128 176.4117 4.915009 176.8938 5.611664 177.3760 5.993088 177.8581 6.046265 178.3402 6.289993 178.8223 6.805183 179.3044 7.404701 179.7865 8.219971 180.2687 9.107513 180.7508 9.675072 181.2329 9.525352 181.7150 8.564850 182.1971 8.045456 182.6792 8.215271 183.1614 8.547043 183.6435 8.928619 184.1256 9.282272 184.6077 9.267548 185.0898 8.436325 185.5719 6.728729 186.0540 5.503784 186.5362 5.056633 187.0183 4.949829 187.5004 4.930237 187.9825 4.991646 188.4646 4.799278 188.9467 3.713394 189.4289 2.006943 189.9110 0.8185580 190.3931 0.7403640 190.8752 1.230263 191.3573 1.456398 191.8394 1.307159 192.3216 1.042389 192.8037 0.8933330 193.2858 0.7963940 193.7679 0.5862050 194.2500 7.6069999E-03 194.7321 0.7601700 195.2143 1.129883 195.6964 0.9546360 196.1785 0.5502550 196.6606 2.6794000E-02 197.1427 0.6716460 197.6248 1.142616 198.1070 1.206131 198.5891 0.9120790 199.0712 0.7487490 199.5533 0.7393260 200.0354 0.8972470 200.5175 1.481087 200.9997 2.244522 201.4818 2.649796 201.9639 2.147392 202.4460 0.6987690 202.9281 0.2617650 203.4102 0.5225220 203.8924 0.4417190 204.3745 2.8357999E-02 204.8566 0.6636430 205.3387 1.599464 205.8208 2.853989 206.3029 4.569237 206.7851 5.256279 207.2672 3.907585 207.7493 2.593338 208.2314 2.154320 208.7135 2.516502 209.1956 3.149277 209.6778 3.596718 210.1599 3.841408 210.6420 3.989365 211.1241 3.647247 211.6062 3.557961 212.0883 4.343346 212.5705 5.862534 213.0526 7.353188 213.5347 8.143501 214.0168 8.132469 214.4989 8.011688 214.9810 7.627045 215.4632 7.260017 215.9453 7.183708 216.4274 7.381020 216.9095 7.502045 217.3916 7.221062 217.8737 6.516289 218.3559 5.881020 218.8380 4.986496 219.3201 4.370811 219.8022 4.756424 220.2843 6.195015 220.7664 7.570190 221.2486 7.892708 221.7307 7.370331 222.2128 6.921791 222.6949 6.609016 223.1770 6.429443 223.6591 6.386887 224.1413 6.482841 224.6234 6.707298 225.1055 7.246376 225.5876 7.898331 226.0697 8.262657 226.5518 8.010567 227.0340 7.581261 227.5161 7.567886 227.9982 8.022560 228.4803 8.460678 228.9624 8.515129 229.4445 8.455940 229.9267 8.687256 230.4088 9.583061 230.8909 10.67119 231.3730 10.89614 231.8551 9.821579 232.3372 8.946907 232.8194 8.874023 233.3015 9.332573 233.7836 10.15640 234.2657 11.44634 234.7478 12.77413 235.2299 13.03031 235.7121 11.51845 236.1942 10.33201 236.6763 10.14514 237.1584 10.51389 237.6405 11.05484 238.1227 11.65556 238.6048 12.25571 239.0869 12.50990 239.5690 12.00964 240.0511 11.76672 240.5332 11.93275 241.0154 12.42430 241.4975 13.23997 241.9796 14.38223 242.4617 15.67522 242.9438 16.65946 243.4259 17.14310 243.9081 17.65293 244.3902 18.32967 244.8723 18.97680 245.3544 19.36687 245.8365 19.41297 246.3186 19.26772 246.8007 19.29630 247.2829 19.55064 247.7650 19.96193 248.2471 20.60433 248.7292 21.35190 249.2113 22.15884 249.6934 22.99254 250.1756 23.73129 250.6577 24.13898 251.1398 24.12801 251.6219 23.84637 252.1040 22.90553 252.5861 21.89177 253.0683 21.46638 253.5504 21.81577 254.0325 22.45542 254.5146 22.52533 254.9967 21.39628 255.4788 20.74487 255.9610 21.03048 256.4431 21.56414 256.9252 21.75475 257.4073 21.44695 257.8894 20.80319 258.3716 20.01406 258.8537 18.93889 259.3358 18.19427 259.8179 17.99760 260.3000 18.00194 260.7821 18.00977 261.2643 17.95882 261.7464 17.67584 262.2285 16.89404 262.7106 15.43511 263.1927 14.28902 263.6748 13.55370 264.1570 13.08778 264.6391 12.95636 265.1212 13.12296 265.6033 13.06976 266.0854 12.12618 266.5675 10.26389 267.0497 9.250916 267.5318 10.19663 268.0139 11.26574 268.4960 10.64973 268.9781 8.351814 269.4602 6.278549 269.9424 6.077232 270.4245 7.468422 270.9066 7.976074 271.3887 6.805710 271.8708 5.296593 272.3529 4.429153 272.8351 4.183670 273.3172 4.153770 273.7993 4.269234 274.2814 4.359856 274.7635 3.955940 275.2456 2.462173 275.7278 1.129562 276.2099 1.105812 276.6920 2.221481 277.1741 3.075813 277.6562 2.953186 278.1383 2.163712 278.6204 1.414497 279.1025 0.5585100 279.5847 4.0413000E-02 280.0668 0.3832020 280.5489 1.433144 281.0310 2.286217 281.5131 2.668510 281.9952 2.643646 282.4774 2.350334 282.9595 1.774544 283.4416 1.104797 283.9237 0.2515490 284.4058 0.6607890 284.8879 1.069252 285.3701 0.6584930 285.8522 0.1043700 286.3343 0.7982100 286.8164 1.405548 287.2985 1.714111 287.7806 1.284882 288.2628 0.4277420 288.7449 0.2788310 289.2270 1.380615 289.7091 2.501495 290.1912 2.399979 290.6733 1.406380 291.1555 0.7076640 291.6376 1.228104 292.1197 2.401817 292.6018 2.809151 293.0839 2.122284 293.5660 1.288315 294.0482 0.9900360 294.5303 0.9908070 295.0124 0.8406450 295.4945 0.1237260 295.9766 0.7127990 296.4587 0.7308650 296.9409 0.3343810 297.4230 1.310997 297.9051 1.455788 298.3872 1.204155 298.8693 1.061676 299.3514 1.253555 299.8336 1.466194 300.3157 1.199203 300.7978 0.3491820 301.2799 0.3699870 301.7620 0.6727830 302.2441 0.7171780 302.7263 0.6007390 303.2084 0.3292080 303.6905 3.8474999E-02 304.1726 0.4055790 304.6547 0.7632290 305.1368 1.361015 305.6190 2.696373 306.1011 3.928711 306.5832 4.368736 307.0653 3.985756 307.5474 3.317368 308.0295 2.620766 308.5117 1.926353 308.9938 1.657639 309.4759 2.338493 309.9580 2.892738 310.4401 2.449623 310.9222 1.271965 311.4044 0.2170940 311.8865 4.1641001E-02 312.3686 0.2740710 312.8507 0.3260650 313.3328 9.2597999E-02 313.8149 0.4292830 314.2971 0.3745350 314.7792 5.9241999E-02 315.2613 0.4138030 315.7434 1.273445 316.2255 2.223206 316.7076 2.539047 317.1898 1.977165 317.6719 1.461243 318.1540 1.547661 318.6361 1.859001 319.1182 1.925034 319.6003 1.454659 320.0825 0.9105070 320.5646 1.180130 321.0467 2.465622 321.5288 3.439278 322.0109 3.326408 322.4930 2.942108 322.9752 2.938667 323.4573 3.422714 323.9394 3.985924 324.4215 4.382797 324.9036 4.606956 325.3857 4.292389 325.8679 2.771477 326.3500 1.308914 326.8321 0.8925090 327.3142 1.407043 327.7963 2.026672 328.2784 2.093163 328.7606 1.768227 329.2427 1.906746 329.7248 2.856422 330.2069 3.745979 330.6890 4.073235 331.1711 3.967049 331.6533 3.682205 332.1354 3.117004 332.6175 2.488281 333.0996 2.352150 333.5817 2.862305 334.0638 3.361191 334.5460 3.389519 335.0281 3.265038 335.5102 3.398346 335.9923 4.014847 336.4744 4.638969 336.9565 4.718353 337.4387 4.226852 337.9208 3.472466 338.4029 2.011116 338.8850 0.7230760 339.3671 0.6327510 339.8492 1.895569 340.3314 3.264435 340.8135 3.904190 341.2956 3.867607 341.7777 3.374405 342.2598 2.083672 342.7419 0.8153990 343.2241 0.1860350 343.7062 0.1785280 344.1883 0.6760250 344.6704 2.217041 345.1525 4.130959 345.6346 4.740875 346.1168 3.570221 346.5989 2.342278 347.0810 2.667809 347.5631 3.778900 348.0452 4.323418 348.5273 3.511398 349.0095 2.386101 349.4916 2.189262 349.9737 2.939209 350.4558 3.828621 350.9379 4.765594 351.4200 5.430504 351.9022 5.299759 352.3843 4.090233 352.8664 2.812157 353.3485 2.096153 353.8306 1.815598 354.3127 1.702271 354.7949 1.755066 355.2770 1.854706 355.7591 1.875023 356.2412 1.816360 356.7233 1.772514 357.2054 1.852798 357.6876 1.946991 358.1697 1.756866 358.6518 1.167007 359.1339 0.7552110 359.6160 1.343925 360.0981 2.699005 360.5803 3.439606 361.0624 2.852013 361.5445 2.023300 362.0266 1.866264 362.5087 2.313110 362.9908 2.791229 363.4730 3.052078 363.9551 3.067574 364.4372 2.784012 364.9193 1.906227 365.4014 1.240601 365.8835 1.431587 366.3657 2.039413 366.8478 2.084412 367.3299 1.170784 367.8120 9.5229998E-02 368.2941 0.7854610 368.7762 0.8590010 369.2584 0.6524050 369.7405 0.3187330 370.2226 1.286484 370.7047 1.175636 371.1868 8.1992999E-02 371.6689 1.246567 372.1511 1.111305 372.6332 0.4196930 373.1153 1.500519 373.5974 2.138702 374.0795 2.363121 374.5616 2.015991 375.0438 1.257538 375.5259 0.3942410 376.0080 0.4487080 376.4901 1.158813 376.9722 1.308975 377.4543 0.5293050 377.9365 0.3081210 378.4186 1.387024 378.9007 2.378342 379.3828 2.809097 379.8649 2.578804 380.3470 2.083374 380.8292 1.847191 381.3113 1.861076 381.7934 2.227234 382.2755 3.687935 382.7576 4.818626 383.2397 4.440475 383.7219 2.899696 384.2040 1.550308 384.6861 1.545334 385.1682 2.765976 385.6503 3.118073 386.1324 1.408875 386.6146 0.1168140 387.0967 2.3605000E-02 387.5788 0.3996120 388.0609 0.5355070 388.5430 2.6923999E-02 389.0251 0.6724320 389.5073 0.5677870 389.9894 0.9561080 390.4715 1.995270 390.9536 2.387291 391.4357 2.388245 391.9178 1.981613 392.4000 1.274590 392.8821 0.6017610 393.3642 0.2683560 393.8463 0.2783890 394.3284 0.5172420 394.8105 1.444519 395.2927 2.056908 395.7748 1.672165 396.2569 0.8180240 396.7390 0.4361570 397.2211 1.133957 397.7032 2.326691 398.1854 2.542755 398.6675 1.368874 399.1496 0.4740140 399.6317 0.4543460 400.1138 0.8138050 400.5959 1.310028 401.0780 1.878250 401.5602 2.318695 402.0423 2.334831 402.5244 1.970314 403.0065 1.839890 403.4886 2.167053 403.9707 2.518143 404.4529 2.336670 404.9350 1.898300 405.4171 2.031929 405.8992 3.944962 406.3813 6.196808 406.8634 6.125343 407.3456 3.446396 407.8277 1.047020 408.3098 0.3825070 408.7919 0.8799740 409.2740 1.639725 409.7561 2.916618 410.2383 3.652374 410.7204 2.555199 411.2025 0.3668370 411.6846 0.6230160 412.1667 0.3697510 412.6488 2.091919 413.1310 3.129913 413.6131 3.525543 414.0952 3.621605 414.5773 3.234222 415.0594 2.734772 415.5415 2.385071 416.0237 2.222107 416.5058 2.401344 416.9879 3.215004 417.4700 4.395790 417.9521 4.477173 418.4342 2.268181 418.9164 0.5786130 419.3985 0.4138030 419.8806 1.158669 420.3627 2.039551 420.8448 2.802437 421.3269 3.351868 421.8091 3.490723 422.2912 2.904633 422.7733 2.840225 423.2554 3.708458 423.7375 4.694847 424.2196 5.355095 424.7018 5.695404 425.1839 5.955566 425.6660 6.333824 426.1481 6.706017 426.6302 6.449509 427.1123 4.300156 427.5945 3.177025 428.0766 4.060875 428.5587 5.732292 429.0408 7.003830 429.5229 7.442642 430.0050 7.493706 430.4872 7.709251 430.9693 8.066681 431.4514 8.339317 431.9335 8.164742 432.4156 8.235359 432.8977 8.930679 433.3799 10.11160 433.8620 11.40048 434.3441 12.60468 434.8262 13.72349 435.3083 14.73080 435.7904 15.64043 436.2726 16.26289 436.7547 16.05307 437.2368 15.78905 437.7189 16.28504 438.2010 17.73454 438.6831 19.30325 439.1653 20.04778 439.6474 20.20391 440.1295 21.20965 440.6116 23.69191 441.0937 26.26089 441.5758 27.31017 442.0580 27.38719 442.5401 28.23668 443.0222 30.75700 443.5043 33.97266 443.9864 37.12392 444.4685 40.16962 444.9507 42.80565 445.4328 44.59477 445.9149 46.19553 446.3970 49.12444 446.8791 53.50139 447.3612 58.41512 447.8434 63.81974 448.3255 69.53322 448.8076 75.56117 449.2897 81.87328 449.7718 87.78619 450.2539 92.38210 450.7361 95.54517 451.2182 100.8327 451.7003 110.9978 452.1824 119.9525 452.6645 125.4650 453.1466 128.3167 453.6288 129.7637 454.1109 130.3486 454.5930 130.1815 455.0751 129.4876 455.5572 127.7457 456.0393 126.5022 456.5215 125.2879 457.0036 124.8700 457.4857 126.1667 457.9678 128.7677 458.4499 131.2868 458.9320 132.5664 459.4142 132.9072 459.8963 134.2794 460.3784 137.9445 460.8605 140.3355 461.3426 139.6489 461.8247 137.8896 462.3069 137.0313 462.7890 137.5661 463.2711 138.4979 463.7532 138.8260 464.2353 138.5706 464.7174 138.3915 465.1996 138.6607 465.6817 138.5544 466.1638 137.2722 466.6459 135.1870 467.1280 133.2106 467.6101 131.7832 468.0923 130.5229 468.5744 129.1496 469.0565 127.6200 469.5386 125.7210 470.0207 123.5361 470.5028 120.7145 470.9850 116.7039 471.4671 111.5620 471.9492 105.5214 472.4313 97.96040 472.9134 89.89549 473.3955 82.26316 473.8777 75.20702 474.3598 68.63255 474.8419 62.53935 475.3240 56.88964 475.8061 51.48103 476.2882 46.21156 476.7704 41.25839 477.2525 36.25824 477.7346 31.77245 478.2167 28.60621 478.6988 26.88493 479.1809 25.88235 479.6631 24.60929 480.1452 22.99532 480.6273 21.28945 481.1094 19.33413 481.5915 17.50785 482.0736 15.89681 482.5558 14.51034 483.0379 13.35600 483.5200 12.44146 484.0021 11.70720 484.4842 11.08913 484.9663 10.64240 485.4485 10.03140 485.9306 8.859756 486.4127 7.795746 486.8948 7.342796 487.3769 7.461166 487.8590 7.665359 488.3412 7.905029 488.8233 8.003136 489.3054 7.399857 489.7875 6.002899 490.2696 4.855865 490.7517 4.670425 491.2339 4.982666 491.7160 4.800079 492.1981 3.954178 492.6802 3.114296 493.1623 2.466736 493.6444 2.037735 494.1266 1.912102 494.6087 2.097672 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