#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:08 +0300 (Thu, 24 May 2018) $ #$Revision: 841 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000328.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_1000328 loop_ _publ_author_name 'Kampf, A. R.' 'Mills, S. J.' 'Nestola, F.' 'Ciriotti, M. E.' 'Kasatkin, A. V.' _publ_section_title ; Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California ; _journal_name_full 'American Mineralogist' _journal_page_first 231 _journal_page_last 235 _journal_paper_doi 10.2138/am.2013.4214 _journal_volume 98 _journal_year 2012 _chemical_compound_source 'Salton Sea, California, USA' _chemical_formula_sum 'Cl6 K3 Mn Na' _chemical_name_mineral Saltonseaite _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 12.0966 _cell_length_b 12.0966 _cell_length_c 13.9555 _cell_volume 1768.490 _exptl_crystal_density_diffrn 2.298 _cod_original_sg_symbol_H-M 'R -3 c' _cod_original_formula_sum 'K3 Na Mn Cl6' _cod_database_code 9014382 _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 R120131.rod _rod_data_source.block 3500000 _rod_database.code 1000328 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 9014382 COD http://www.crystallography.net/cod/9014382.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 194.9452 0.0000000E+00 195.4273 0.6705630 195.9094 2.088623 196.3915 3.100525 196.8737 5.066711 197.3558 4.737335 197.8379 2.852844 198.3200 0.8572080 198.8021 0.3730770 199.2842 0.1506040 199.7664 1.713837 200.2485 2.915314 200.7306 2.798920 201.2127 1.647247 201.6948 0.7346500 202.1769 2.0569000E-02 202.6591 0.3486020 203.1412 0.1231380 203.6233 0.7804260 204.1054 1.543365 204.5875 1.578827 205.0696 1.139801 205.5518 3.089935 206.0339 8.241821 206.5160 13.90152 206.9981 17.14914 207.4802 17.49896 207.9623 17.59390 208.4445 17.80481 208.9266 18.15991 209.4087 19.45602 209.8908 21.64572 210.3729 24.80685 210.8550 29.50189 211.3372 36.45184 211.8193 42.15115 212.3014 45.14374 212.7835 45.39615 213.2656 47.90134 213.7477 53.30508 214.2299 60.04501 214.7120 66.49789 215.1941 73.10669 215.6762 78.32214 216.1583 81.02750 216.6404 80.92056 217.1226 83.72610 217.6047 90.24884 218.0868 98.69232 218.5689 107.2610 219.0510 116.5065 219.5331 124.6304 220.0153 130.8115 220.4974 134.7455 220.9795 140.5558 221.4616 148.8999 221.9437 158.4736 222.4258 167.9379 222.9080 177.3488 223.3901 186.3425 223.8722 193.9105 224.3543 199.5007 224.8364 209.2869 225.3185 225.0374 225.8007 243.1642 226.2828 259.3757 226.7649 272.7115 227.2470 285.7556 227.7291 298.6148 228.2112 311.2563 228.6934 325.2552 229.1755 340.7635 229.6576 357.4966 230.1397 375.0056 230.6218 394.6459 231.1039 412.9951 231.5861 429.4965 232.0682 444.8851 232.5503 455.7347 233.0324 461.0682 233.5145 463.1377 233.9966 465.0805 234.4788 469.3680 234.9609 469.1799 235.4430 462.5785 235.9251 449.0586 236.4072 433.5083 236.8893 415.6929 237.3715 397.6145 237.8536 378.7671 238.3357 358.7438 238.8178 337.8991 239.2999 315.3029 239.7820 290.4817 240.2642 269.1443 240.7463 252.4723 241.2284 238.1644 241.7105 223.5935 242.1926 208.7354 242.6747 193.6454 243.1569 178.0075 243.6390 161.2964 244.1211 147.2488 244.6032 136.6657 245.0853 127.9519 245.5674 119.3062 246.0496 110.5274 246.5317 102.1331 247.0138 93.91040 247.4959 85.68967 247.9780 79.68167 248.4601 76.98291 248.9423 75.37054 249.4244 72.26999 249.9065 66.56973 250.3886 61.61774 250.8707 58.46436 251.3528 57.25949 251.8350 54.88882 252.3171 50.59531 252.7992 46.06601 253.2813 43.05020 253.7634 42.63596 254.2455 41.36249 254.7277 37.99170 255.2098 32.44888 255.6919 29.08954 256.1740 28.86276 256.6561 29.55792 257.1382 29.14264 257.6204 27.09433 258.1025 25.23734 258.5846 24.06631 259.0667 23.51703 259.5488 22.25995 260.0309 19.88074 260.5131 17.43213 260.9952 16.05322 261.4773 16.33295 261.9594 16.00787 262.4415 14.62881 262.9236 12.27286 263.4058 9.598297 263.8879 5.910614 264.3700 3.035278 264.8521 2.669891 265.3342 5.669220 265.8163 8.401154 266.2985 10.77133 266.7806 12.49957 267.2627 11.39465 267.7448 6.109161 268.2269 0.8100280 268.7090 1.168884 269.1912 1.010376 269.6733 2.865082 270.1554 3.891022 270.6375 4.195251 271.1196 3.879578 271.6017 2.533478 272.0839 1.676849 272.5660 2.867401 273.0481 6.678925 273.5302 8.752563 274.0123 8.439423 274.4944 6.302002 274.9766 3.653870 275.4587 0.2415160 275.9408 2.667542 276.4229 4.398560 276.9050 4.981689 277.3871 3.738159 277.8693 0.3903500 278.3514 5.237091 278.8335 4.787537 279.3156 2.075500 279.7977 7.679474 280.2798 6.594299 280.7620 1.220551 281.2441 6.225616 281.7262 7.534668 282.2083 6.658020 282.6904 6.084290 283.1725 5.839233 283.6547 5.441528 284.1368 4.425995 284.6189 2.891815 285.1010 1.941132 285.5831 1.612274 286.0652 1.842682 286.5474 2.915009 287.0295 4.800385 287.5116 6.150299 287.9937 5.993134 288.4758 4.656616 288.9579 4.216949 289.4401 4.829956 289.9222 5.527679 290.4043 4.529144 290.8864 2.160797 291.3685 1.108246 291.8506 3.369629 292.3328 7.599304 292.8149 9.570862 293.2970 9.176697 293.7791 8.108795 294.2612 8.279572 294.7433 9.294525 295.2255 9.645355 295.7076 8.593719 296.1897 6.947021 296.6718 6.033997 297.1539 5.856628 297.6360 6.484772 298.1182 8.685364 298.6003 11.76559 299.0824 14.01956 299.5645 14.75601 300.0466 14.75989 300.5287 15.12564 301.0109 15.77899 301.4930 15.81210 301.9751 13.81982 302.4572 10.98444 302.9393 9.276367 303.4214 9.067993 303.9036 9.953094 304.3857 12.26065 304.8678 15.61014 305.3499 18.29361 305.8320 18.96759 306.3141 18.46478 306.7963 17.72058 307.2784 16.86337 307.7605 15.83945 308.2426 14.04474 308.7247 11.99384 309.2068 10.92685 309.6890 12.68692 310.1711 14.98895 310.6532 15.45352 311.1353 13.39462 311.6174 11.79642 312.0995 13.62616 312.5817 17.03012 313.0638 19.04773 313.5459 17.20578 314.0280 14.56812 314.5101 12.92529 314.9922 12.43228 315.4744 12.34790 315.9565 12.65234 316.4386 13.10275 316.9207 13.40265 317.4028 13.54550 317.8849 13.46362 318.3671 13.11069 318.8492 12.48950 319.3313 11.72256 319.8134 10.68954 320.2955 9.617828 320.7776 8.695892 321.2598 7.518402 321.7419 6.945862 322.2240 7.656189 322.7061 9.338440 323.1882 10.34772 323.6703 9.159546 324.1525 8.018433 324.6346 8.219360 325.1167 11.74109 325.5988 14.08279 326.0809 14.37589 326.5630 13.07858 327.0452 11.82153 327.5273 9.743561 328.0094 8.385071 328.4915 8.497437 328.9736 11.28986 329.4557 12.83148 329.9379 12.35364 330.4200 10.87875 330.9021 10.03125 331.3842 10.07474 331.8663 10.34134 332.3484 10.63397 332.8306 10.88544 333.3127 11.53580 333.7948 13.16119 334.2769 14.45148 334.7590 13.67859 335.2411 9.669128 335.7233 6.779144 336.2054 5.727386 336.6875 6.394196 337.1696 7.491913 337.6517 9.407440 338.1339 10.95367 338.6160 10.90207 339.0981 8.357727 339.5802 6.093353 340.0623 4.364410 340.5444 3.243011 341.0266 3.320007 341.5087 4.874664 341.9908 6.271759 342.4729 6.267578 342.9550 4.856750 343.4371 3.878662 343.9193 3.513672 344.4014 3.583984 344.8835 3.902161 345.3656 4.463684 345.8477 4.907654 346.3298 5.059326 346.8120 4.958252 347.2941 4.581573 347.7762 3.828552 348.2583 3.258606 348.7404 4.171844 349.2225 6.086304 349.7047 6.932922 350.1868 5.242157 350.6689 2.277924 351.1510 0.1275020 351.6331 1.950439 352.1152 2.601959 352.5974 0.4581910 353.0795 3.065582 353.5616 5.252197 354.0437 4.707062 354.5258 3.348450 355.0079 3.331299 355.4901 4.314453 355.9722 4.764130 356.4543 2.861877 356.9364 0.3492130 357.4185 0.8199770 357.9006 0.2134700 358.3828 1.237061 358.8649 0.6640010 359.3470 0.9111630 359.8291 2.284393 360.3112 3.442719 360.7933 3.843262 361.2755 2.915619 361.7576 0.4342040 362.2397 1.895233 362.7218 3.572174 363.2039 4.717590 363.6860 5.467316 364.1682 5.538177 364.6503 5.530060 365.1324 5.794464 365.6145 6.308167 366.0966 6.225952 366.5787 4.178070 367.0609 2.262848 367.5430 1.825439 368.0251 5.597473 368.5072 7.754517 368.9893 6.934052 369.4714 4.067017 369.9536 2.174896 370.4357 1.789368 370.9178 1.818604 371.3999 1.735870 371.8820 1.017975 372.3641 1.690948 372.8463 4.742523 373.3284 8.571472 373.8105 10.49884 374.2926 9.770081 374.7747 8.611176 375.2568 7.331573 375.7390 5.920532 376.2211 6.010437 376.7032 8.115417 377.1853 10.68253 377.6674 12.30786 378.1495 12.90677 378.6317 13.00800 379.1138 12.52127 379.5959 11.72958 380.0780 11.62881 380.5601 12.29407 381.0422 12.94153 381.5244 12.83533 382.0065 12.20694 382.4886 12.18152 382.9707 12.87875 383.4528 13.82004 383.9349 14.34030 384.4171 14.47427 384.8992 14.37930 385.3813 14.11029 385.8634 13.68564 386.3455 12.77515 386.8276 11.30698 387.3098 10.62466 387.7919 12.87439 388.2740 16.61456 388.7561 19.22101 389.2382 19.34348 389.7203 18.46942 390.2025 17.29456 390.6846 15.99472 391.1667 15.35773 391.6488 16.66968 392.1309 18.34262 392.6130 18.88297 393.0952 17.26569 393.5773 16.11993 394.0594 17.58994 394.5415 20.22147 395.0236 21.29688 395.5057 18.56555 395.9879 15.36929 396.4700 12.98932 396.9521 11.61365 397.4342 10.52194 397.9163 9.837646 398.3984 9.287872 398.8806 8.607208 399.3627 6.626740 399.8448 5.848389 400.3269 7.174408 400.8090 10.24118 401.2911 12.30093 401.7733 13.20688 402.2554 13.31421 402.7375 12.77420 403.2196 11.49222 403.7017 9.590149 404.1838 6.229950 404.6660 2.907318 405.1481 3.126801 405.6302 8.093140 406.1123 12.15948 406.5944 12.92221 407.0765 10.57690 407.5587 9.328857 408.0408 9.378723 408.5229 10.00461 409.0050 10.57602 409.4871 10.93842 409.9692 10.95892 410.4514 10.73700 410.9335 10.39908 411.4156 10.17096 411.8977 10.03851 412.3798 9.939026 412.8619 9.608643 413.3441 9.329315 413.8262 9.882782 414.3083 11.55759 414.7904 13.02350 415.2725 12.74902 415.7546 11.40424 416.2368 10.06513 416.7189 9.647125 417.2010 9.069275 417.6831 6.751190 418.1652 2.901611 418.6473 0.5944820 419.1295 3.306885 419.6116 7.623474 420.0937 10.22855 420.5758 9.302002 421.0579 8.046295 421.5400 7.307281 422.0222 7.002563 422.5043 6.925415 422.9864 7.276581 423.4685 7.641418 423.9506 7.833618 424.4327 7.728424 424.9149 7.816132 425.3970 8.613129 425.8791 9.367920 426.3612 9.264130 426.8433 7.544769 427.3254 6.155975 427.8076 5.553711 428.2897 5.577057 428.7718 5.007233 429.2539 3.613525 429.7360 2.089539 430.2181 0.6090390 430.7003 0.9921570 431.1824 1.062256 431.6645 0.8573000 432.1466 3.624664 432.6287 5.581818 433.1108 6.720795 433.5930 6.654358 434.0751 4.400848 434.5572 0.9571230 435.0393 0.1906130 435.5214 1.006134 436.0035 2.953674 436.4857 4.863678 436.9678 6.417511 437.4499 6.767181 437.9320 5.405243 438.4141 3.412018 438.8962 1.221375 439.3784 0.7626040 439.8605 1.344269 440.3426 1.636200 440.8247 5.333374 441.3068 7.470520 441.7889 7.768829 442.2711 7.142212 442.7532 4.775818 443.2353 2.252747 443.7174 1.202362 444.1995 4.186035 444.6816 6.483093 445.1638 5.929565 445.6459 3.313232 446.1280 2.249451 446.6101 5.817139 447.0922 8.911713 447.5743 8.972687 448.0565 3.828094 448.5386 1.186768 449.0207 2.553070 449.5028 5.503082 449.9849 6.874878 450.4670 6.078278 450.9492 4.990875 451.4313 3.762787 451.9134 2.531830 452.3955 2.598083 452.8776 4.401886 453.3597 5.977570 453.8419 5.696808 454.3240 3.607971 454.8061 1.853149 455.2882 0.5734560 455.7703 0.2065120 456.2524 0.2433780 456.7346 0.3734130 457.2167 0.9996950 457.6988 1.276764 458.1809 1.442139 458.6630 2.030579 459.1451 2.994476 459.6273 3.799072 460.1094 3.734222 460.5915 3.348694 461.0736 3.480743 461.5557 4.736176 462.0378 5.625031 462.5200 4.838989 463.0021 3.035736 463.4842 1.481750 463.9663 0.9857180 464.4484 0.5453190 464.9305 0.5287780 465.4127 2.337524 465.8948 3.420624 466.3769 3.533173 466.8590 2.767639 467.3411 1.184174 467.8232 3.014374 468.3054 5.680695 468.7875 5.840088 469.2696 4.498413 469.7517 4.226074 470.2338 5.625854 470.7159 6.966187 471.1981 7.598053 471.6802 7.487793 472.1623 7.368927 472.6444 7.076324 473.1265 7.195251 473.6086 8.929199 474.0908 12.22360 474.5729 13.62405 475.0550 11.96524 475.5371 8.950043 476.0192 7.637787 476.5013 7.897949 476.9835 8.737976 477.4656 10.20883 477.9477 11.67914 478.4298 11.99295 478.9119 11.07654 479.3940 9.866394 479.8762 8.897095 480.3583 8.141296 480.8404 7.515106 481.3225 6.495026 481.8046 6.283813 482.2867 8.909821 482.7689 12.94110 483.2510 14.67752 483.7331 10.27066 484.2152 5.582031 484.6973 3.515259 485.1794 4.953796 485.6616 5.421265 486.1437 2.510010 486.6258 0.2759400 487.1079 0.2039790 487.5900 4.059021 488.0721 9.134399 488.5543 16.16425 489.0364 23.33606 489.5185 24.27820 490.0006 16.75946 490.4827 9.821838 490.9648 8.203186 491.4470 11.52386 491.9291 11.78772 492.4112 8.445862 492.8933 4.633240 493.3754 4.203674 493.8575 6.280457 494.3397 6.741089 494.8218 3.984802 495.3039 0.5727540 495.7860 0.2752080 496.2681 2.405701 496.7502 4.593323 497.2324 6.112000 497.7145 6.689514 498.1966 5.403931 498.6787 2.137939 499.1608 0.2692870 499.6429 3.013184 500.1251 7.174744 500.6072 10.01459 501.0893 10.60895 501.5714 10.20300 502.0535 8.574524 502.5356 6.084961 503.0178 3.832275 503.4999 1.000793 503.9820 0.5945430 504.4641 7.4097000E-02 504.9462 2.660583 505.4283 4.663940 505.9105 5.980408 506.3926 6.434509 506.8747 5.494202 507.3568 2.784607 507.8389 1.603149 508.3210 2.660095 508.8032 4.657593 509.2853 5.317322 509.7674 4.679871 510.2495 3.705505 510.7316 2.301575 511.2137 1.034546 511.6959 1.265442 512.1780 2.868225 512.6601 4.902710 513.1422 7.221497 513.6243 9.325256 514.1064 10.52057 514.5886 10.55536 515.0707 10.24170 515.5528 10.47858 516.0349 10.58997 516.5170 9.615173 516.9991 5.106873 517.4813 1.663879 517.9634 1.203491 518.4455 3.417908 518.9276 5.604187 519.4097 8.279480 519.8918 10.19305 520.3740 10.40204 520.8561 7.655823 521.3382 7.034241 521.8203 9.905334 522.3024 13.32220 522.7845 13.43195 523.2667 9.380920 523.7488 6.320007 524.2309 5.584106 524.7130 6.320251 525.1951 6.040283 525.6772 4.827637 526.1594 4.486145 526.6415 7.048706 527.1236 10.89929 527.6057 12.15137 528.0878 10.66876 528.5699 8.692749 529.0521 7.676636 529.5342 7.417908 530.0163 7.738281 530.4984 8.902771 530.9805 10.06513 531.4626 11.15332 531.9448 11.86511 532.4269 11.60541 532.9090 8.167175 533.3911 5.698242 533.8732 6.252869 534.3553 10.01099 534.8375 12.32355 535.3196 12.69269 535.8017 12.22101 536.2838 10.83655 536.7659 7.626953 537.2480 6.719788 537.7302 9.058289 538.2123 12.46674 538.6944 13.63318 539.1765 12.43927 539.6586 10.83093 540.1407 9.003479 540.6229 7.452515 541.1050 7.468323 541.5871 8.966248 542.0692 10.67218 542.5513 12.05334 543.0334 13.10193 543.5156 13.85681 543.9977 14.33398 544.4798 14.16718 544.9619 12.29938 545.4440 10.05652 545.9261 8.880371 546.4083 10.08331 546.8904 11.04535 547.3725 10.47821 547.8546 9.069580 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