#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:28:04 +0300 (Thu, 26 Apr 2018) $ #$Revision: 468 $ #$URL: svn://172.16.1.111/rod/cif/2/10/00/2100004.rod $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2100004 loop_ _publ_author_name 'Okada, K.' 'Ossaka, J.' _publ_section_title ; Structures of potassium sodium sulphate and tripotassium sodium disulphate ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 919 _journal_page_last 921 _journal_paper_doi 10.1107/S0567740880004852 _journal_volume 36 _journal_year 1980 _chemical_compound_source R050651 _chemical_formula_sum 'K3 Na O8 S2' _chemical_name_mineral Aphthitalite _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 5.6801 _cell_length_b 5.6801 _cell_length_c 7.309 _cell_volume 204.221 _exptl_crystal_density_diffrn 2.703 _cod_original_formula_sum 'K3 Na S2 O8' _cod_database_code 9007639 _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 R050651.rod _rod_data_source.block 3500000 _rod_database.code 2100004 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 9007639 COD http://www.crystallography.net/cod/9007639.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 151.8078 0.0000000E+00 152.2899 1.855469 152.7720 0.3486330 153.2542 0.6049800 153.7363 6.909424 154.2184 16.88989 154.7005 28.37061 155.1826 40.21606 155.6647 52.35522 156.1469 64.58936 156.6290 75.71460 157.1111 88.10254 157.5932 103.3015 158.0753 120.3274 158.5574 137.0320 159.0396 151.6389 159.5217 163.7285 160.0038 176.3958 160.4859 191.3450 160.9680 205.1536 161.4501 217.3406 161.9323 228.0459 162.4144 236.4788 162.8965 242.0554 163.3786 245.1099 163.8607 242.3577 164.3428 231.2034 164.8250 216.1284 165.3071 199.0278 165.7892 180.4380 166.2713 161.2612 166.7534 145.1840 167.2355 132.8568 167.7177 119.8971 168.1998 104.4198 168.6819 89.50757 169.1640 77.92139 169.6461 70.12732 170.1282 64.25281 170.6104 57.34277 171.0925 49.39282 171.5746 41.18823 172.0567 34.98218 172.5388 31.23523 173.0209 28.37097 173.5031 25.62793 173.9852 24.26758 174.4673 21.92908 174.9494 17.67102 175.4315 13.87817 175.9136 13.50354 176.3958 16.42920 176.8779 17.49585 177.3600 14.94629 177.8421 11.49768 178.3242 7.749512 178.8063 4.381104 179.2885 1.841797 179.7706 1.209106 180.2527 2.785767 180.7348 3.384766 181.2169 2.537476 181.6990 1.436646 182.1812 0.8289790 182.6633 0.7758790 183.1454 0.8171390 183.6275 0.5664060 184.1096 9.4237998E-02 184.5917 0.7343750 185.0738 1.926636 185.5560 2.958740 186.0381 2.624390 186.5202 0.5538330 187.0023 2.116943 187.4844 3.663574 187.9665 3.687012 188.4487 2.975708 188.9308 0.6224370 189.4129 1.840210 189.8950 2.925293 190.3771 2.072510 190.8592 0.2585450 191.3414 0.5441890 191.8235 9.2041001E-02 192.3056 0.9329830 192.7877 2.474854 193.2698 3.971436 193.7519 4.117554 194.2341 2.239258 194.7162 0.3640140 195.1983 0.7082520 195.6804 1.814209 196.1625 3.813843 196.6446 4.169678 197.1268 3.271240 197.6089 1.869873 198.0910 3.6377002E-02 198.5731 1.952271 199.0552 3.110107 199.5373 3.471924 200.0195 3.504761 200.5016 3.564087 200.9837 3.553101 201.4658 2.884766 201.9479 0.8530270 202.4300 1.320801 202.9122 2.514404 203.3943 2.733032 203.8764 1.974731 204.3585 0.2005620 204.8406 3.748657 205.3227 7.053833 205.8048 10.91626 206.2870 13.23047 206.7691 11.54712 207.2512 5.724609 207.7333 0.2534180 208.2154 1.563599 208.6975 2.762329 209.1797 5.815186 209.6618 6.615601 210.1439 6.573120 210.6260 7.181641 211.1081 8.714966 211.5902 10.43359 212.0724 11.02795 212.5545 9.470459 213.0366 10.02148 213.5187 14.89331 214.0008 20.39709 214.4829 24.35400 214.9651 26.32837 215.4472 27.31030 215.9293 28.82654 216.4114 31.81873 216.8935 33.23877 217.3756 30.02991 217.8578 27.58276 218.3399 31.22888 218.8220 41.39746 219.3041 52.75159 219.7862 56.80188 220.2683 48.07703 220.7505 42.24292 221.2326 39.75415 221.7147 39.47375 222.1968 40.96375 222.6789 43.96790 223.1610 47.87048 223.6432 51.92969 224.1253 57.34021 224.6074 59.95740 225.0895 57.92468 225.5716 54.17847 226.0537 50.63684 226.5358 47.83923 227.0180 46.72607 227.5001 49.28357 227.9822 57.66980 228.4643 62.64417 228.9464 60.11902 229.4285 55.49365 229.9107 55.38391 230.3928 61.40479 230.8749 68.43567 231.3570 69.14038 231.8391 62.79138 232.3212 58.54028 232.8034 59.73669 233.2855 63.05811 233.7676 64.00879 234.2497 61.52332 234.7318 58.41077 235.2139 57.55713 235.6961 58.69373 236.1782 61.27917 236.6603 67.71069 237.1424 74.75073 237.6245 76.52869 238.1066 71.03784 238.5888 64.90613 239.0709 65.73779 239.5530 71.36487 240.0351 75.05664 240.5172 73.40210 240.9993 68.54968 241.4815 64.26904 241.9636 60.48706 242.4457 58.00061 242.9278 58.08813 243.4099 59.77979 243.8920 61.27185 244.3742 61.94678 244.8563 61.98169 245.3384 61.62744 245.8205 60.72595 246.3026 59.66602 246.7847 58.83374 247.2668 57.87292 247.7490 56.35779 248.2311 53.99927 248.7132 51.22961 249.1953 48.87109 249.6774 47.06921 250.1595 45.10571 250.6417 42.57385 251.1238 39.72998 251.6059 36.91089 252.0880 34.24951 252.5701 31.98450 253.0522 30.44031 253.5344 29.63892 254.0165 29.16821 254.4986 29.55933 254.9807 30.13220 255.4628 29.91040 255.9449 28.36450 256.4271 26.13513 256.9092 25.02527 257.3913 26.16565 257.8734 26.22607 258.3555 23.25952 258.8376 19.71362 259.3198 18.04138 259.8019 19.21265 260.2840 21.88733 260.7661 23.48682 261.2482 23.83545 261.7303 23.54150 262.2125 22.19556 262.6946 20.66321 263.1767 19.56165 263.6588 19.11267 264.1409 19.33325 264.6230 20.44690 265.1052 23.67261 265.5873 25.16150 266.0694 22.85803 266.5515 20.42969 267.0336 20.52393 267.5157 23.64673 267.9979 28.28894 268.4800 32.64136 268.9621 38.31091 269.4442 39.76184 269.9263 33.75781 270.4084 26.75598 270.8906 23.13623 271.3727 23.38440 271.8548 24.92737 272.3369 24.56555 272.8190 21.38391 273.3011 19.37634 273.7833 19.50098 274.2654 19.79358 274.7475 19.05859 275.2296 17.31152 275.7117 15.35400 276.1938 13.91443 276.6760 12.94629 277.1581 13.15381 277.6402 15.56946 278.1223 17.82214 278.6044 18.77502 279.0865 18.58655 279.5686 17.97815 280.0508 17.39429 280.5329 16.81165 281.0150 17.68591 281.4971 22.35400 281.9792 25.81458 282.4613 25.21411 282.9435 21.81104 283.4256 18.66138 283.9077 17.71094 284.3898 18.76062 284.8719 20.22498 285.3540 23.64136 285.8362 25.74939 286.3183 24.68250 286.8004 21.76880 287.2825 19.48230 287.7646 19.16064 288.2467 20.14404 288.7289 20.08411 289.2110 18.09253 289.6931 16.26501 290.1752 15.05396 290.6573 14.17639 291.1394 13.18958 291.6216 11.90552 292.1037 10.62903 292.5858 10.04626 293.0679 10.93628 293.5500 11.04224 294.0321 9.238525 294.5143 6.942139 294.9964 6.044800 295.4785 7.037964 295.9606 8.373047 296.4427 7.607666 296.9248 3.368042 297.4070 1.363037 297.8891 4.209595 298.3712 7.924683 298.8533 8.485718 299.3354 5.449829 299.8175 1.884521 300.2997 0.9754640 300.7818 3.274536 301.2639 4.742676 301.7460 4.518799 302.2281 4.153198 302.7102 5.003540 303.1924 6.938110 303.6745 8.685547 304.1566 9.425049 304.6387 8.844360 305.1208 7.437256 305.6029 3.472656 306.0851 0.7066650 306.5672 1.689819 307.0493 5.676270 307.5314 10.23315 308.0135 14.10583 308.4956 17.17139 308.9778 19.21631 309.4599 19.39331 309.9420 19.65881 310.4241 21.89331 310.9062 24.51538 311.3883 23.88269 311.8705 18.10266 312.3526 10.07959 312.8347 6.652222 313.3168 9.526611 313.7989 12.02271 314.2810 12.58325 314.7632 12.16956 315.2453 11.89124 315.7274 11.96985 316.2095 12.39685 316.6916 13.41028 317.1737 15.31177 317.6559 16.54333 318.1380 16.91833 318.6201 16.59424 319.1022 15.18823 319.5843 12.77808 320.0664 11.00452 320.5485 11.73608 321.0306 15.23279 321.5128 17.05212 321.9949 15.67749 322.4770 13.96997 322.9591 13.91565 323.4412 15.29871 323.9233 16.65588 324.4055 17.11255 324.8876 16.69250 325.3697 15.72888 325.8518 13.11572 326.3339 11.20935 326.8160 10.89661 327.2982 11.93677 327.7803 14.01038 328.2624 17.17419 328.7445 20.78918 329.2266 23.12390 329.7087 23.65845 330.1909 24.08801 330.6730 25.01807 331.1551 25.90015 331.6372 25.68225 332.1193 24.03699 332.6014 22.29626 333.0836 22.64075 333.5657 26.47278 334.0478 28.04053 334.5299 24.46753 335.0120 20.33081 335.4941 20.01941 335.9763 23.74902 336.4584 27.87817 336.9405 28.87317 337.4226 26.35413 337.9047 25.14038 338.3868 26.23108 338.8690 27.50977 339.3511 28.01160 339.8332 27.77600 340.3153 27.23303 340.7974 26.67566 341.2795 26.02307 341.7617 24.76807 342.2438 21.82312 342.7259 19.67383 343.2080 19.18567 343.6901 19.75989 344.1722 20.72400 344.6544 21.82886 345.1365 22.72437 345.6186 22.63770 346.1007 20.08679 346.5828 18.84570 347.0649 20.37024 347.5471 22.38367 348.0292 22.86267 348.5113 21.45679 348.9934 19.07031 349.4755 16.59717 349.9576 13.54529 350.4398 12.67468 350.9219 16.82324 351.4040 20.24426 351.8861 18.90125 352.3682 13.90710 352.8503 9.429199 353.3325 8.803955 353.8146 11.68994 354.2967 12.64844 354.7788 9.449951 355.2609 6.842529 355.7430 6.417847 356.2252 7.055176 356.7073 6.880615 357.1894 4.981934 357.6715 2.328979 358.1536 1.421753 358.6357 4.017456 359.1179 5.796997 359.5999 7.529907 360.0821 7.897217 360.5642 4.585571 361.0463 2.233276 361.5284 8.860352 362.0105 10.32922 362.4926 4.832886 362.9748 1.085205 363.4569 0.8963620 363.9390 1.307617 364.4211 0.7735600 364.9032 4.475708 365.3853 7.798462 365.8675 9.277344 366.3496 9.046997 366.8317 8.257446 367.3138 6.696289 367.7959 4.784790 368.2780 1.987671 368.7602 0.8588870 369.2423 2.727295 369.7244 3.156006 370.2065 2.561279 370.6886 1.668945 371.1707 0.2437740 371.6529 0.7856450 372.1350 1.656372 372.6171 1.895752 373.0992 0.7015380 373.5813 1.813477 374.0634 4.211792 374.5456 4.458008 375.0277 2.364380 375.5098 2.236572 375.9919 5.912964 376.4740 9.751343 376.9561 11.96985 377.4383 13.04175 377.9204 14.18494 378.4025 16.33044 378.8846 18.92126 379.3667 20.13330 379.8488 19.16919 380.3310 18.89734 380.8131 21.07654 381.2952 24.25073 381.7773 27.05713 382.2594 29.15930 382.7415 30.81165 383.2237 32.14404 383.7058 33.16125 384.1879 34.30847 384.6700 35.71680 385.1521 37.28174 385.6342 38.57300 386.1164 39.67114 386.5985 41.70532 387.0806 46.24841 387.5627 52.07556 388.0448 56.41357 388.5269 59.05176 389.0091 60.10999 389.4912 58.01624 389.9733 54.40173 390.4554 53.06018 390.9375 56.26770 391.4196 60.63733 391.9018 63.81714 392.3839 65.73010 392.8660 65.16418 393.3481 60.19641 393.8302 53.76172 394.3123 52.14294 394.7945 57.22144 395.2766 60.57788 395.7587 56.91077 396.2408 49.87549 396.7229 45.86853 397.2050 46.40796 397.6872 48.75842 398.1693 50.62207 398.6514 52.02380 399.1335 50.42664 399.6156 41.92639 400.0977 33.41345 400.5798 30.83728 401.0620 33.14026 401.5441 34.50024 402.0262 31.04016 402.5083 23.99805 402.9904 19.73999 403.4725 20.41907 403.9547 20.75220 404.4368 19.34338 404.9189 17.20190 405.4010 15.52136 405.8831 14.69519 406.3652 14.52795 406.8474 14.82227 407.3295 15.94312 407.8116 16.44678 408.2937 15.76648 408.7758 15.05042 409.2579 14.69434 409.7401 14.85437 410.2222 15.92969 410.7043 18.49146 411.1864 22.10669 411.6685 23.00854 412.1506 18.45361 412.6328 14.41980 413.1149 11.65076 413.5970 9.898560 414.0791 9.098633 414.5612 9.170654 415.0433 9.451538 415.5255 8.803101 416.0076 6.821411 416.4897 5.342163 416.9718 4.956299 417.4539 4.683228 417.9360 4.017456 418.4182 3.022583 418.9003 1.940918 419.3824 0.6533200 419.8645 0.4371340 420.3466 0.2097170 420.8287 1.930542 421.3109 3.629272 421.7930 3.041382 422.2751 1.770142 422.7572 1.792236 423.2393 3.936401 423.7214 6.366699 424.2036 6.872437 424.6857 5.574707 425.1678 4.826050 425.6499 5.183472 426.1320 6.306641 426.6141 8.229248 427.0963 10.66431 427.5784 12.15967 428.0605 11.07739 428.5426 9.107422 429.0247 8.592896 429.5068 9.612183 429.9890 12.18274 430.4711 16.25452 430.9532 22.20898 431.4353 30.17493 431.9174 40.66821 432.3995 52.27686 432.8817 63.95667 433.3638 76.21887 433.8459 90.77234 434.3280 108.3323 434.8101 126.5895 435.2922 142.5730 435.7744 156.1257 436.2565 167.0840 436.7386 175.3552 437.2207 181.0800 437.7028 182.5289 438.1849 181.0078 438.6671 180.8523 439.1492 184.9617 439.6313 192.8716 440.1134 201.8256 440.5955 212.2228 441.0776 223.2502 441.5598 233.5239 442.0418 245.0337 442.5240 260.9889 443.0061 281.6302 443.4882 302.7968 443.9703 318.0944 444.4524 325.0713 444.9345 337.9763 445.4167 359.7886 445.8988 384.6919 446.3809 409.9647 446.8630 436.7875 447.3451 467.9392 447.8272 504.7015 448.3094 546.7938 448.7915 594.5042 449.2736 650.1316 449.7557 704.6713 450.2378 762.4600 450.7199 814.1980 451.2021 858.5869 451.6842 893.7192 452.1663 904.5106 452.6484 876.9148 453.1305 814.5084 453.6126 728.3696 454.0948 609.3849 454.5769 490.6165 455.0590 390.0470 455.5411 305.7776 456.0232 237.9603 456.5053 190.0027 456.9875 154.3898 457.4696 126.7990 457.9517 106.6802 458.4338 91.50439 458.9159 81.34851 459.3980 74.02893 459.8802 66.13806 460.3623 57.32043 460.8444 50.76208 461.3265 48.39331 461.8086 47.60706 462.2907 46.42493 462.7729 44.60913 463.2550 42.14722 463.7371 38.79700 464.2192 35.01147 464.7013 32.81104 465.1834 34.27148 465.6656 34.47229 466.1477 30.91248 466.6298 26.32410 467.1119 24.20972 467.5940 25.23328 468.0761 27.03845 468.5583 26.61511 469.0404 23.35571 469.5225 21.98975 470.0046 24.12952 470.4867 26.49646 470.9688 28.80432 471.4510 30.48083 471.9331 30.41028 472.4152 27.89490 472.8973 24.55676 473.3794 23.52722 473.8615 25.50696 474.3437 27.60681 474.8258 30.54834 475.3079 32.10071 475.7900 29.88684 476.2721 24.54150 476.7542 19.68689 477.2364 17.45374 477.7185 17.36743 478.2006 18.96082 478.6827 22.68347 479.1648 25.29443 479.6469 24.36292 480.1291 21.59180 480.6112 20.22046 481.0933 20.94580 481.5754 21.50378 482.0575 20.47278 482.5396 18.62024 483.0217 16.91980 483.5038 15.60339 483.9860 15.29529 484.4681 17.05176 484.9502 20.95728 485.4323 22.79639 485.9144 21.14661 486.3965 19.06824 486.8787 17.67981 487.3608 16.90393 487.8429 16.43018 488.3250 16.37891 488.8071 16.66150 489.2892 16.97058 489.7714 17.25916 490.2535 17.68457 490.7356 18.42810 491.2177 19.11499 491.6998 19.75012 492.1819 20.16614 492.6641 19.92712 493.1462 18.62842 493.6283 16.80798 494.1104 16.19177 494.5925 17.39661 495.0746 18.14111 495.5568 17.54651 496.0389 16.55017 496.5210 15.55408 497.0031 14.67810 497.4852 14.29028 497.9673 15.19568 498.4495 16.75635 498.9316 17.05725 499.4137 15.79736 499.8958 14.37732 500.3779 13.70984 500.8600 13.34534 501.3422 12.15112 501.8243 9.119995 502.3064 7.321899 502.7885 9.504150 503.2706 13.63623 503.7527 16.13770 504.2349 16.23230 504.7170 14.91479 505.1991 12.83362 505.6812 9.891602 506.1633 8.430542 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533.1619 1.487549 533.6440 0.1077880 534.1261 1.353516 534.6082 2.922363 535.0903 4.282837 535.5724 5.464111 536.0546 6.252197 536.5367 5.886108 537.0188 4.172852 537.5009 2.691528 537.9830 2.833862 538.4651 4.188721 538.9473 4.436279 539.4294 1.806885 539.9115 0.3769530 540.3936 2.723022 540.8757 6.203613 541.3578 7.362183 541.8400 5.639648 542.3221 3.093872 542.8042 1.866821 543.2863 1.991577 543.7684 1.365723 544.2505 2.366455 544.7326 3.910034 545.2147 0.2604980 545.6968 5.076782 546.1790 8.299927 546.6611 8.459961 547.1432 7.207886 547.6253 5.854858 548.1074 4.467529 548.5895 3.966309 549.0717 4.654907 549.5538 5.647217 550.0359 6.925415 550.5180 8.038574 551.0001 8.018799 551.4822 6.020020 551.9644 4.567017 552.4465 5.891235 552.9286 8.752075 553.4107 10.36816 553.8928 10.16895 554.3749 10.03809 554.8571 11.95984 555.3392 15.82178 555.8213 17.48767 556.3034 15.98267 556.7855 13.82678 557.2676 10.64465 557.7498 7.638550 558.2319 6.571777 558.7140 7.655762 559.1961 9.219116 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