#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:51:22 +0300 (Thu, 24 May 2018) $ #$Revision: 833 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000322.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_1000322 loop_ _publ_author_name 'Arakcheeva, A. V.' 'Pushcharovskii, D. Y.' 'Rastsvetaeva, R. K.' 'Kashaev, A. A.' 'Nadezhina, T. N.' _publ_section_title ; Crystal structure of nigerite-6H ; _journal_name_full Kristallografiya _journal_page_first 639 _journal_page_last 644 _journal_volume 40 _journal_year 1995 _chemical_compound_source 'Eastern Siberia, Irkutsk, Russia' _chemical_formula_sum 'Al8.435 Fe0.83 H O15 Sn Zn0.36' _chemical_name_mineral Ferronigerite-2N1S _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 5.717 _cell_length_b 5.717 _cell_length_c 13.80 _cell_volume 390.612 _exptl_crystal_density_diffrn 5.588 _cod_original_formula_sum 'Al8.435 Fe.83 Zn.36 Sn O15 H' _cod_database_code 9015437 _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 R120083.rod _rod_data_source.block 3500000 _rod_database.code 1000322 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 9015437 COD http://www.crystallography.net/cod/9015437.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 201.3790 0.0000000E+00 201.8611 6.6024996E-02 202.3433 0.4143370 202.8254 0.9315190 203.3075 1.396957 203.7896 1.782852 204.2717 2.060303 204.7538 2.114349 205.2360 1.864471 205.7181 1.643738 206.2002 1.615585 206.6823 1.774979 207.1644 2.212875 207.6465 3.065628 208.1287 4.136444 208.6108 4.815796 209.0929 5.032593 209.5750 5.055344 210.0571 5.032455 210.5392 4.968216 211.0214 4.842087 211.5035 4.631821 211.9856 4.543671 212.4677 4.338623 212.9498 4.235992 213.4319 4.205185 213.9140 4.129471 214.3962 3.903351 214.8783 3.640076 215.3604 3.460938 215.8425 3.405716 216.3246 3.512878 216.8067 3.953537 217.2889 4.229630 217.7710 3.964340 218.2531 2.904343 218.7352 2.044006 219.2173 1.479675 219.6994 1.167938 220.1816 0.9555360 220.6637 0.9108890 221.1458 0.8365480 221.6279 0.5348660 222.1100 0.2567900 222.5921 0.5453640 223.0743 1.4496000E-02 223.5564 1.151489 224.0385 1.554749 224.5206 0.8752590 225.0027 9.9330004E-03 225.4848 0.4942020 225.9670 0.4921420 226.4491 0.4724580 226.9312 0.5317990 227.4133 0.6069490 227.8954 0.3461300 228.3775 0.4605410 228.8597 1.289307 229.3418 1.807281 229.8239 1.896011 230.3060 1.947693 230.7881 2.009201 231.2702 2.053909 231.7524 1.922562 232.2345 1.434296 232.7166 1.019073 233.1987 0.9644010 233.6808 1.494476 234.1629 1.881668 234.6451 2.077667 235.1272 2.095413 235.6093 1.982925 236.0914 1.646744 236.5735 1.308960 237.0556 1.079361 237.5378 0.9289250 238.0199 0.9707950 238.5020 1.324738 238.9841 1.884079 239.4662 2.196518 239.9483 2.212845 240.4305 2.060226 240.9126 1.772888 241.3947 1.212082 241.8768 0.8353880 242.3589 0.7143860 242.8410 0.7889560 243.3232 0.8539120 243.8053 0.9287570 244.2874 0.9653470 244.7695 0.9221040 245.2516 0.7159420 245.7337 0.6071930 246.2159 0.6148220 246.6980 0.7190090 247.1801 0.8844300 247.6622 1.229248 248.1443 1.454376 248.6264 1.343185 249.1086 0.5463560 249.5907 0.2566680 250.0728 0.6083070 250.5549 1.445450 251.0370 2.402954 251.5191 3.660095 252.0013 4.761414 252.4834 5.473923 252.9655 5.572281 253.4476 5.866119 253.9297 6.424484 254.4118 7.148987 254.8940 7.836288 255.3761 8.471939 255.8582 9.097229 256.3403 9.685318 256.8224 10.13680 257.3046 10.92294 257.7867 12.31395 258.2688 13.85451 258.7509 14.51807 259.2330 13.72527 259.7151 13.19121 260.1973 13.64417 260.6794 15.32127 261.1615 16.89032 261.6436 18.36298 262.1257 19.70157 262.6078 20.82889 263.0900 21.71268 263.5721 22.44472 264.0542 22.99242 264.5363 23.30965 265.0184 23.86003 265.5005 24.78297 265.9827 25.79416 266.4648 26.46988 266.9469 26.69206 267.4290 26.92165 267.9111 27.41077 268.3932 28.20612 268.8754 28.36214 269.3575 27.71608 269.8396 26.67540 270.3217 25.71283 270.8038 24.81252 271.2859 24.05708 271.7681 23.57005 272.2502 23.33192 272.7323 22.69737 273.2144 21.60291 273.6965 20.25870 274.1786 18.81248 274.6608 17.19060 275.1429 15.81364 275.6250 14.85060 276.1071 14.24248 276.5892 13.52667 277.0714 12.72154 277.5535 11.78772 278.0356 10.56140 278.5177 8.978836 278.9998 7.763428 279.4819 7.111023 279.9641 6.912659 280.4462 6.809799 280.9283 6.856964 281.4104 6.925385 281.8925 7.047470 282.3746 7.231766 282.8568 6.925842 283.3389 5.861588 283.8210 4.384460 284.3031 3.352753 284.7852 2.773941 285.2673 2.552063 285.7495 2.862411 286.2316 3.639801 286.7137 3.963882 287.1958 3.648987 287.6779 2.937576 288.1600 2.240067 288.6422 1.554031 289.1243 0.9745790 289.6064 0.5433040 290.0885 0.2624050 290.5706 0.2066800 291.0527 0.4125060 291.5349 0.7612000 292.0170 1.093735 292.4991 1.404907 292.9812 1.699921 293.4633 2.065262 293.9454 2.421432 294.4276 2.478714 294.9097 2.192413 295.3918 1.738617 295.8739 1.213333 296.3560 0.6688230 296.8381 0.3273010 297.3203 0.3820650 297.8024 0.7003940 298.2845 1.055725 298.7666 1.455002 299.2487 1.795822 299.7308 2.029175 300.2130 2.134995 300.6951 2.042221 301.1772 1.433304 301.6593 0.7488710 302.1414 0.7586060 302.6235 1.446289 303.1057 2.127609 303.5878 2.073578 304.0699 1.621521 304.5520 1.405792 305.0341 1.813217 305.5162 2.380646 305.9984 2.583939 306.4805 2.472321 306.9626 2.394104 307.4447 2.651642 307.9268 3.065796 308.4089 3.429764 308.8911 3.819168 309.3732 3.946243 309.8553 3.310486 310.3374 2.148468 310.8195 1.246582 311.3016 1.161102 311.7838 1.494385 312.2659 1.967606 312.7480 2.661591 313.2301 3.130737 313.7122 2.898758 314.1943 2.251343 314.6765 1.790192 315.1586 1.897415 315.6407 2.202087 316.1228 2.495911 316.6049 2.759018 317.0870 3.010559 317.5692 3.169922 318.0513 3.351501 318.5334 3.707718 319.0155 4.535828 319.4976 5.314713 319.9797 5.759247 320.4619 5.822708 320.9440 5.923965 321.4261 6.212524 321.9082 6.567581 322.3903 6.871384 322.8724 7.021988 323.3546 7.304962 323.8367 7.865082 324.3188 8.647354 324.8009 9.316895 325.2830 9.775696 325.7651 10.16902 326.2473 10.59047 326.7294 11.14414 327.2115 11.50209 327.6936 11.50220 328.1757 11.26759 328.6578 11.24728 329.1400 11.52399 329.6221 11.92726 330.1042 12.40080 330.5863 13.09688 331.0684 13.64488 331.5505 13.99013 332.0327 14.20296 332.5148 14.42213 332.9969 14.63370 333.4790 14.84355 333.9611 15.13049 334.4432 15.64702 334.9254 15.55563 335.4075 14.51582 335.8896 13.16840 336.3717 12.38846 336.8538 12.32579 337.3359 12.43280 337.8180 12.72557 338.3001 13.20058 338.7823 13.07867 339.2644 12.15012 339.7465 11.05026 340.2286 10.39352 340.7107 10.24040 341.1928 10.23405 341.6750 10.36301 342.1571 10.57738 342.6392 10.72040 343.1213 10.82745 343.6034 10.69844 344.0855 10.08728 344.5677 9.020691 345.0498 7.984238 345.5319 6.969574 346.0140 6.130524 346.4961 5.892197 346.9782 6.231049 347.4604 6.557831 347.9425 6.501404 348.4246 6.155518 348.9067 5.830307 349.3888 5.529312 349.8709 5.313034 350.3531 5.233383 350.8352 5.294220 351.3173 5.509064 351.7994 6.183441 352.2815 6.915833 352.7636 6.892334 353.2458 6.112152 353.7279 5.310074 354.2100 5.208939 354.6921 5.492508 355.1742 5.611221 355.6563 5.320831 356.1385 4.875687 356.6206 4.470749 357.1027 4.105270 357.5848 3.785599 358.0669 3.453354 358.5490 3.196671 359.0312 3.125732 359.5133 3.343155 359.9954 3.566971 360.4775 3.604294 360.9596 3.532822 361.4417 3.513519 361.9239 3.601120 362.4060 3.770355 362.8881 4.099777 363.3702 4.684036 363.8523 4.960358 364.3344 4.454346 364.8166 3.646301 365.2987 3.080536 365.7808 3.060699 366.2629 3.131607 366.7450 3.243103 367.2271 3.388962 367.7093 3.379700 368.1914 3.090057 368.6735 2.701187 369.1556 2.325867 369.6377 1.808289 370.1198 1.512711 370.6020 1.549576 371.0841 1.829910 371.5662 2.044632 372.0483 2.220779 372.5304 2.291351 373.0125 2.228958 373.4947 2.029144 373.9768 1.688721 374.4589 1.131805 374.9410 0.4921880 375.4231 2.1210000E-02 375.9052 0.4073030 376.3874 0.6692660 376.8695 0.7801060 377.3516 0.7402800 377.8337 0.7110600 378.3158 0.7004700 378.7979 0.6622010 379.2801 0.4324490 379.7622 2.0904999E-02 380.2443 2.4570001E-03 380.7264 0.8072510 381.2085 2.019730 381.6906 2.517471 382.1728 2.288940 382.6549 2.014771 383.1370 2.329742 383.6191 3.024826 384.1012 3.183868 384.5833 2.614563 385.0655 1.849670 385.5476 1.644455 386.0297 1.863770 386.5118 2.032104 386.9939 1.836502 387.4760 1.485168 387.9582 1.267441 388.4403 1.185822 388.9224 1.176971 389.4045 1.257202 389.8866 1.359497 390.3687 1.385284 390.8509 1.254257 391.3330 1.085693 391.8151 0.9291840 392.2972 0.7932890 392.7793 0.7113490 393.2614 0.8831330 393.7436 1.000137 394.2257 0.8102720 394.7078 0.1534270 395.1899 0.5188750 395.6720 1.133530 396.1541 1.645477 396.6363 1.982910 397.1184 1.753555 397.6005 1.693268 398.0826 2.235031 398.5647 3.527710 399.0468 4.280533 399.5290 3.805237 400.0111 3.057571 400.4932 2.809906 400.9753 3.549622 401.4574 4.140259 401.9395 4.408508 402.4217 4.435486 402.9038 4.570419 403.3859 4.740891 403.8680 5.127914 404.3501 5.968521 404.8322 7.617020 405.3144 8.352325 405.7965 7.823898 406.2786 6.787521 406.7607 6.350967 407.2428 6.513153 407.7249 7.344177 408.2071 9.274841 408.6892 11.97997 409.1713 13.10869 409.6534 12.46249 410.1355 11.40059 410.6176 11.15291 411.0998 11.59482 411.5819 12.02185 412.0640 12.30197 412.5461 12.49870 413.0282 12.71397 413.5103 12.94295 413.9925 13.16829 414.4746 13.42471 414.9567 13.66035 415.4388 13.71480 415.9209 13.54349 416.4030 13.49390 416.8852 14.04257 417.3673 14.88849 417.8494 15.53333 418.3315 15.70642 418.8136 15.68805 419.2957 15.57750 419.7779 15.40324 420.2600 15.33002 420.7421 15.49850 421.2242 15.76143 421.7063 15.99982 422.1884 16.16023 422.6706 16.37392 423.1527 16.80673 423.6348 17.30309 424.1169 17.57036 424.5990 17.01059 425.0811 16.74857 425.5633 17.27405 426.0454 18.74858 426.5275 19.84482 427.0096 20.42918 427.4917 20.73436 427.9738 20.94685 428.4560 21.03683 428.9381 21.12009 429.4202 21.17773 429.9023 21.23097 430.3844 21.38071 430.8665 21.64240 431.3487 21.94182 431.8308 22.19246 432.3129 22.36884 432.7950 22.83519 433.2771 23.69078 433.7592 24.58055 434.2414 25.02800 434.7235 25.07538 435.2056 25.10321 435.6877 25.21700 436.1698 25.39252 436.6519 25.55717 437.1341 25.73206 437.6162 26.04909 438.0983 26.61278 438.5804 27.29367 439.0625 27.97075 439.5446 28.72554 440.0268 29.38873 440.5089 29.51067 440.9910 29.37515 441.4731 29.60379 441.9552 30.93803 442.4373 32.48308 442.9195 33.61021 443.4016 34.27466 443.8837 35.01154 444.3658 36.24776 444.8479 37.56876 445.3300 38.61111 445.8122 38.81563 446.2943 39.35727 446.7764 40.55975 447.2585 42.23763 447.7406 43.93185 448.2227 45.70457 448.7049 47.41672 449.1870 48.98666 449.6691 50.32199 450.1512 51.99423 450.6333 54.13948 451.1154 56.43294 451.5976 58.54839 452.0797 60.36189 452.5618 62.44067 453.0439 64.89603 453.5260 67.61235 454.0081 70.44046 454.4903 73.41144 454.9724 76.37105 455.4545 79.21239 455.9366 81.95090 456.4187 84.92126 456.9008 88.12358 457.3830 91.46863 457.8651 94.69894 458.3472 97.91895 458.8293 101.3240 459.3114 105.1053 459.7935 109.0040 460.2757 112.6658 460.7578 116.1548 461.2399 119.8853 461.7220 124.5166 462.2041 129.2950 462.6862 133.4385 463.1684 136.7601 463.6505 139.7559 464.1326 142.6752 464.6147 145.3815 465.0968 147.7441 465.5789 149.9829 466.0611 151.5491 466.5432 152.1943 467.0253 151.9590 467.5074 151.3632 467.9895 150.1753 468.4716 148.8771 468.9538 147.7639 469.4359 147.2984 469.9180 146.0106 470.4001 143.6328 470.8822 140.5956 471.3643 137.4597 471.8465 134.1193 472.3286 130.9692 472.8107 128.0907 473.2928 125.5034 473.7749 123.1121 474.2570 120.9250 474.7392 118.9480 475.2213 117.1831 475.7034 115.6315 476.1855 114.3004 476.6676 113.1919 477.1497 112.3052 477.6319 111.7338 478.1140 111.4092 478.5961 111.1122 479.0782 110.5123 479.5603 110.0374 480.0424 110.2506 480.5246 111.1008 481.0067 112.1516 481.4888 112.9979 481.9709 113.9882 482.4530 115.4492 482.9352 117.5357 483.4173 119.8568 483.8994 122.4425 484.3815 125.1322 484.8636 127.6558 485.3457 129.7036 485.8279 131.8227 486.3100 134.2149 486.7921 136.8933 487.2742 139.4231 487.7563 141.7491 488.2384 144.0215 488.7206 146.4166 489.2027 149.3619 489.6848 151.2424 490.1669 151.8394 490.6490 151.5892 491.1311 151.2735 491.6133 151.0008 492.0954 149.9435 492.5775 147.8196 493.0596 144.7113 493.5417 140.8398 494.0238 136.2175 494.5060 131.0263 494.9881 125.2370 495.4702 119.0140 495.9523 112.5780 496.4344 105.9691 496.9165 99.25122 497.3987 92.23485 497.8808 85.15335 498.3629 78.58731 498.8450 73.05823 499.3271 67.87192 499.8092 62.60490 500.2914 57.26796 500.7735 52.36259 501.2556 47.59682 501.7377 43.56075 502.2198 40.77304 502.7019 39.88170 503.1841 38.61079 503.6662 36.50116 504.1483 33.93573 504.6304 31.38354 505.1125 28.98398 505.5946 26.39896 506.0768 23.32890 506.5589 19.99707 507.0410 17.52341 507.5231 16.09801 508.0052 15.01982 508.4873 13.92300 508.9695 12.81248 509.4516 11.87233 509.9337 11.14153 510.4158 10.50963 510.8979 9.834488 511.3800 9.068436 511.8622 8.215866 512.3443 7.217102 512.8264 6.292572 513.3085 5.688660 513.7906 5.420837 514.2728 5.447479 514.7549 6.119888 515.2370 6.732346 515.7191 6.560333 516.2012 5.509018 516.6833 4.556046 517.1655 4.286224 517.6476 4.267502 518.1297 4.120224 518.6118 3.655869 519.0939 3.169662 519.5760 2.534576 520.0582 1.939056 520.5403 1.808395 521.0224 2.522766 521.5045 3.162979 521.9866 3.414200 522.4688 3.278671 522.9509 3.491806 523.4330 4.189621 523.9151 4.914124 524.3972 5.311386 524.8793 5.372452 525.3615 5.325119 525.8436 5.148972 526.3257 4.974503 526.8078 5.031311 527.2899 5.275528 527.7720 5.510895 528.2542 5.706390 528.7363 5.812286 529.2184 5.668854 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