#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:25 +0300 (Thu, 26 Apr 2018) $ #$Revision: 607 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000146.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_1000146 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 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 R120083.rod _rod_data_source.block 3500000 _rod_database.code 1000146 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 121.4948 0.0000000E+00 121.9769 3.874634 122.4590 10.81580 122.9411 18.13782 123.4232 25.43848 123.9053 32.82056 124.3875 39.37512 124.8696 45.67529 125.3517 54.12024 125.8338 65.88464 126.3159 76.53809 126.7980 84.03503 127.2802 88.43530 127.7623 89.90906 128.2444 90.28040 128.7265 89.41455 129.2086 85.54651 129.6907 73.49365 130.1729 60.22058 130.6550 47.66809 131.1371 36.25586 131.6192 26.29993 132.1013 18.37830 132.5834 13.15808 133.0656 8.838501 133.5477 5.408081 134.0298 2.664917 134.5119 0.4969480 134.9940 1.136108 135.4761 2.268311 135.9583 2.948242 136.4404 3.286133 136.9225 2.088745 137.4046 1.173584 137.8867 4.028076 138.3688 5.985718 138.8510 7.615112 139.3331 9.194092 139.8152 10.06665 140.2973 10.08191 140.7794 9.825195 141.2615 8.950195 141.7437 7.678711 142.2258 7.112427 142.7079 8.275391 143.1900 10.30017 143.6721 11.28271 144.1542 10.59155 144.6364 9.507202 145.1185 9.411499 145.6006 10.48901 146.0827 11.41504 146.5648 11.61133 147.0469 11.26282 147.5291 10.40613 148.0112 8.910645 148.4933 7.072998 148.9754 5.570435 149.4575 4.568726 149.9396 3.650146 150.4218 2.969849 150.9039 2.218140 151.3860 0.8447270 151.8681 1.677002 152.3502 5.086304 152.8323 7.003296 153.3145 6.055298 153.7966 4.787720 154.2787 3.172852 154.7608 1.612183 155.2429 0.7730710 155.7250 1.289795 156.2072 3.315796 156.6893 4.428833 157.1714 4.666382 157.6535 4.205688 158.1356 2.567627 158.6177 7.9956003E-02 159.0999 2.086304 159.5820 2.728027 160.0641 1.509521 160.5462 1.119385 161.0283 1.371582 161.5104 2.504517 161.9926 5.186768 162.4747 9.461670 162.9568 13.82410 163.4389 16.48096 163.9210 17.53711 164.4031 18.72876 164.8853 20.94971 165.3674 23.30005 165.8495 24.29089 166.3316 23.45618 166.8137 21.95715 167.2958 20.75549 167.7780 19.80115 168.2601 18.96765 168.7422 18.29614 169.2243 17.72754 169.7064 16.97034 170.1885 15.74023 170.6707 14.66248 171.1528 13.97778 171.6349 13.71606 172.1170 13.94336 172.5991 14.97681 173.0812 16.87708 173.5634 18.27014 174.0455 17.84802 174.5276 17.91565 175.0097 19.57825 175.4918 22.76208 175.9739 26.64990 176.4561 30.45496 176.9382 34.30029 177.4203 37.70142 177.9024 39.42859 178.3845 41.68689 178.8666 46.12720 179.3488 52.56433 179.8309 59.57397 180.3130 64.91125 180.7951 67.55872 181.2772 70.67346 181.7593 73.70276 182.2415 77.44678 182.7236 82.91589 183.2057 90.20691 183.6878 98.04541 184.1699 104.4470 184.6520 108.2042 185.1342 112.9001 185.6163 119.1661 186.0984 126.1438 186.5805 132.7822 187.0626 138.7391 187.5447 144.7782 188.0269 152.4757 188.5090 162.3542 188.9911 171.5220 189.4732 178.0183 189.9553 183.5753 190.4374 191.4773 190.9196 203.3610 191.4017 216.5276 191.8838 226.8751 192.3659 234.1132 192.8480 241.7532 193.3301 251.8340 193.8123 263.7583 194.2944 275.4352 194.7765 286.6055 195.2586 297.0887 195.7407 306.5197 196.2228 314.7855 196.7050 323.0735 197.1871 332.6063 197.6692 343.2944 198.1513 352.9884 198.6334 360.4539 199.1155 367.4469 199.5977 375.2117 200.0798 383.8208 200.5619 392.4844 201.0440 400.3694 201.5261 407.3789 202.0082 414.6404 202.4904 423.0963 202.9725 431.3085 203.4546 438.6426 203.9367 444.9938 204.4188 450.5822 204.9009 455.5894 205.3831 459.9327 205.8652 463.8879 206.3473 467.8650 206.8294 471.2129 207.3115 473.3016 207.7936 474.1359 208.2758 474.3749 208.7579 474.9307 209.2400 476.0729 209.7221 476.8685 210.2042 477.0471 210.6863 477.0140 211.1685 477.1699 211.6506 477.5719 212.1327 478.0806 212.6148 478.4758 213.0969 478.5969 213.5790 478.7823 214.0612 479.4791 214.5433 479.9116 215.0254 479.1938 215.5075 477.2208 215.9896 475.0203 216.4717 474.0364 216.9539 474.8921 217.4360 475.4150 217.9181 476.0304 218.4002 476.0729 218.8823 474.4767 219.3644 470.9734 219.8466 467.0684 220.3287 464.9484 220.8108 464.9764 221.2929 464.6178 221.7750 463.4531 222.2571 461.7653 222.7393 459.9395 223.2214 458.0867 223.7035 455.9526 224.1856 453.2325 224.6677 450.0065 225.1498 446.1884 225.6320 441.5120 226.1141 436.2925 226.5962 431.0887 227.0783 426.0581 227.5604 420.8251 228.0425 414.7026 228.5247 407.9580 229.0068 401.4830 229.4889 395.9138 229.9710 390.8873 230.4531 385.5425 230.9352 379.7712 231.4174 373.7002 231.8995 367.3344 232.3816 360.7911 232.8637 354.3730 233.3458 348.6505 233.8279 343.1727 234.3101 336.1650 234.7922 326.6969 235.2743 317.7440 235.7564 310.7970 236.2385 305.1683 236.7206 299.8566 237.2028 294.8917 237.6849 290.0891 238.1670 284.1139 238.6491 276.6487 239.1312 268.0580 239.6133 257.9594 240.0955 247.0950 240.5776 236.4213 241.0597 226.2905 241.5418 216.7748 242.0239 208.7878 242.5060 203.6844 242.9882 198.5636 243.4703 192.0820 243.9524 184.9657 244.4345 178.3528 244.9166 173.0061 245.3987 168.7708 245.8809 164.8713 246.3630 161.1569 246.8451 157.6672 247.3272 154.0745 247.8093 150.9108 248.2914 149.0935 248.7736 149.2321 249.2557 150.6499 249.7378 150.4944 250.2199 146.5453 250.7020 143.7273 251.1841 143.0127 251.6663 143.6788 252.1484 144.9243 252.6305 146.3623 253.1126 147.9701 253.5947 149.7312 254.0768 152.0900 254.5590 154.0422 255.0411 154.9348 255.5232 155.6394 256.0053 157.1686 256.4874 159.9435 256.9695 163.5729 257.4517 167.0990 257.9338 168.8829 258.4159 172.7070 258.8980 180.3500 259.3801 189.2885 259.8622 196.5962 260.3444 201.2996 260.8265 205.1572 261.3086 211.5396 261.7907 223.3140 262.2728 233.2050 262.7549 240.3981 263.2371 246.0548 263.7192 251.2687 264.2013 256.3523 264.6834 260.8881 265.1655 264.1913 265.6476 265.6741 266.1298 267.1776 266.6119 269.7297 267.0940 271.7875 267.5761 271.9326 268.0582 269.8942 268.5403 266.2932 269.0225 261.8641 269.5046 256.6182 269.9867 249.7772 270.4688 240.3553 270.9509 229.9598 271.4330 220.1677 271.9152 211.1359 272.3973 201.5116 272.8794 189.8528 273.3615 175.9257 273.8436 162.6611 274.3257 150.3508 274.8079 138.4539 275.2900 126.5923 275.7721 114.7219 276.2542 103.2810 276.7363 92.32507 277.2184 82.15771 277.7006 73.29846 278.1827 65.94641 278.6648 59.81421 279.1469 55.34082 279.6290 52.30237 280.1111 48.99158 280.5933 44.28723 281.0754 38.54858 281.5575 33.19470 282.0396 28.36816 282.5217 23.76526 283.0038 18.65967 283.4860 13.37537 283.9681 9.710571 284.4502 9.058105 284.9323 10.10474 285.4144 9.937744 285.8965 8.190796 286.3787 6.210938 286.8608 4.494995 287.3429 3.096802 287.8250 2.264893 288.3071 2.276245 288.7892 2.636963 289.2714 2.549805 289.7535 1.938721 290.2356 1.509766 290.7177 2.210449 291.1998 3.362915 291.6819 2.834717 292.1641 0.5866700 292.6462 4.334473 293.1283 5.097534 293.6104 3.273926 294.0925 2.057007 294.5746 3.346558 295.0568 5.990234 295.5389 7.678711 296.0210 8.003662 296.5031 7.790527 296.9852 7.800781 297.4673 7.870117 297.9495 7.418335 298.4316 5.560181 298.9137 3.341919 299.3958 2.549194 299.8779 3.500854 300.3600 4.499023 300.8422 4.011841 301.3243 2.861572 301.8064 2.575928 302.2885 4.376709 302.7706 6.307983 303.2527 5.879639 303.7349 2.937744 304.2170 0.2385250 304.6991 2.985718 305.1812 5.126953 305.6633 6.296753 306.1454 6.111450 306.6276 5.771973 307.1097 6.606323 307.5918 8.514526 308.0739 9.693970 308.5560 9.013428 309.0381 7.798462 309.5203 7.568237 310.0024 8.423096 310.4845 9.576172 310.9666 10.43054 311.4487 11.09814 311.9308 12.17712 312.4130 13.94653 312.8951 15.90869 313.3772 17.34033 313.8593 18.37854 314.3414 19.97327 314.8235 23.17468 315.3057 27.25867 315.7878 30.38721 316.2699 32.26233 316.7520 33.48608 317.2341 34.13452 317.7162 34.47327 318.1984 35.09888 318.6805 36.22083 319.1626 37.75769 319.6447 39.77295 320.1268 42.43079 320.6089 44.76318 321.0911 45.66125 321.5732 46.06299 322.0553 47.32495 322.5374 50.03674 323.0195 53.24634 323.5016 55.94360 323.9838 58.08960 324.4659 60.07861 324.9480 62.10925 325.4301 64.04285 325.9122 65.73523 326.3943 67.23059 326.8765 68.59009 327.3586 69.36292 327.8407 69.77783 328.3228 71.38977 328.8049 75.10181 329.2870 79.23914 329.7692 82.47595 330.2513 84.85889 330.7334 86.03625 331.2155 84.90649 331.6976 82.34338 332.1797 80.82141 332.6619 81.03577 333.1440 81.45557 333.6261 80.33044 334.1082 78.26318 334.5903 76.87512 335.0724 76.84888 335.5546 77.71497 336.0367 79.35486 336.5188 81.97205 337.0009 83.80969 337.4830 83.41077 337.9651 81.62280 338.4473 80.10938 338.9294 79.25232 339.4115 78.32397 339.8936 76.65405 340.3757 74.33191 340.8578 71.94702 341.3400 69.38086 341.8221 67.16077 342.3042 66.08777 342.7863 66.33264 343.2684 66.64697 343.7505 66.66870 344.2327 66.28589 344.7148 65.12744 345.1969 62.94080 345.6790 60.41553 346.1611 58.14587 346.6432 56.11914 347.1254 54.68213 347.6075 54.31567 348.0896 54.38635 348.5717 54.22583 349.0538 53.78540 349.5359 53.03784 350.0181 51.70312 350.5002 49.81616 350.9823 48.19336 351.4644 46.82654 351.9465 46.04150 352.4286 45.95020 352.9108 46.42188 353.3929 47.49780 353.8750 49.66040 354.3571 52.11133 354.8392 52.75525 355.3214 51.14038 355.8035 49.11804 356.2856 47.31506 356.7677 45.67249 357.2498 43.95361 357.7319 42.00952 358.2141 39.85425 358.6962 37.39648 359.1783 34.47266 359.6604 32.55212 360.1425 32.52380 360.6246 32.91516 361.1068 32.60425 361.5889 31.61487 362.0710 30.28040 362.5531 28.60974 363.0352 26.58276 363.5173 25.46497 363.9995 26.25403 364.4816 26.81970 364.9637 25.68433 365.4458 23.51660 365.9279 22.05725 366.4100 22.24292 366.8922 23.60583 367.3743 24.69739 367.8564 25.49597 368.3385 26.11292 368.8206 26.81848 369.3027 27.22510 369.7849 26.70325 370.2670 25.11072 370.7491 23.13232 371.2312 21.75806 371.7133 21.38220 372.1954 20.39856 372.6776 18.15491 373.1597 15.90417 373.6418 14.64343 374.1239 14.18530 374.6060 13.46436 375.0881 11.53894 375.5703 8.474243 376.0524 6.313965 376.5345 5.812256 377.0166 5.330200 377.4987 4.391724 377.9808 3.278931 378.4630 2.481812 378.9451 2.226929 379.4272 2.250854 379.9093 1.873169 380.3914 0.5118410 380.8735 0.2463380 381.3557 0.1512450 381.8378 0.7507320 382.3199 1.031738 382.8020 0.8242190 383.2841 1.6235000E-02 383.7662 1.667603 384.2484 4.440552 384.7305 6.651123 385.2126 8.275635 385.6947 9.332153 386.1768 9.452637 386.6589 9.019409 387.1411 8.818848 387.6232 9.425171 388.1053 10.44519 388.5874 10.31335 389.0695 8.057495 389.5516 6.500610 390.0338 6.991943 390.5159 7.981567 390.9980 7.995728 391.4801 6.624390 391.9622 4.720703 392.4443 3.080078 392.9265 1.636597 393.4086 1.103760 393.8907 2.232056 394.3728 3.721191 394.8549 4.998169 395.3370 6.006714 395.8192 6.706787 396.3013 7.074707 396.7834 7.110596 397.2655 6.917236 397.7476 6.712402 398.2297 5.709106 398.7119 2.697632 399.1940 1.115967 399.6761 4.132446 400.1582 5.740112 400.6403 6.911621 401.1224 8.931274 401.6046 11.70813 402.0867 13.30225 402.5688 12.57178 403.0509 11.00391 403.5330 10.27295 404.0151 10.36572 404.4973 11.00439 404.9794 12.50793 405.4615 14.35425 405.9436 15.60803 406.4257 16.11975 406.9078 16.33862 407.3900 16.61877 407.8721 16.90063 408.3542 16.91943 408.8363 15.71240 409.3184 15.09216 409.8005 16.70947 410.2827 20.00769 410.7648 23.01648 411.2469 24.84656 411.7290 25.94702 412.2111 27.29993 412.6932 29.02185 413.1754 30.64648 413.6575 31.68750 414.1396 32.79846 414.6217 34.91968 415.1038 38.11328 415.5859 41.39270 416.0681 43.89465 416.5502 45.62573 417.0323 46.08105 417.5144 43.50000 417.9965 41.67712 418.4786 42.61865 418.9608 45.39368 419.4429 48.08960 419.9250 49.71228 420.4071 50.70361 420.8892 52.30798 421.3713 55.22461 421.8535 57.70227 422.3356 59.58813 422.8177 61.14392 423.2998 62.48621 423.7819 63.68225 424.2640 64.83728 424.7462 66.16272 425.2283 67.73022 425.7104 68.44702 426.1925 66.67004 426.6746 65.83508 427.1567 67.54211 427.6389 70.68054 428.1210 73.46509 428.6031 75.00671 429.0852 75.93640 429.5673 77.58240 430.0494 80.20972 430.5316 82.61011 431.0137 83.53772 431.4958 84.82288 431.9779 88.33313 432.4600 93.92590 432.9421 98.79993 433.4243 100.0144 433.9064 98.56934 434.3885 98.87256 434.8706 101.4873 435.3527 105.0358 435.8348 109.1927 436.3170 113.5822 436.7991 117.6152 437.2812 121.0330 437.7633 124.1864 438.2454 127.0183 438.7275 129.6956 439.2097 133.3367 439.6918 138.5200 440.1739 144.4882 440.6560 149.8955 441.1381 154.5688 441.6202 160.2310 442.1024 167.8175 442.5845 176.3251 443.0666 184.3099 443.5487 191.7675 444.0308 200.2183 444.5129 211.1238 444.9951 224.0861 445.4772 235.7499 445.9593 244.3250 446.4414 253.8127 446.9235 265.6229 447.4056 279.1422 447.8878 293.8507 448.3699 309.5320 448.8520 325.1213 449.3341 338.9622 449.8162 350.0891 450.2983 362.1254 450.7805 373.8735 451.2626 387.3672 451.7447 404.3999 452.2268 424.1105 452.7089 444.4299 453.1910 463.9611 453.6732 482.8478 454.1553 501.3373 454.6374 518.1587 455.1195 536.9445 455.6016 558.6733 456.0837 581.9966 456.5659 605.3300 457.0480 628.6444 457.5301 653.3018 458.0122 681.2415 458.4943 712.5066 458.9764 743.7698 459.4586 774.9446 459.9407 806.0430 460.4228 837.2484 460.9049 868.2795 461.3870 898.7563 461.8691 928.8506 462.3513 957.8032 462.8334 985.9625 463.3155 1013.125 463.7976 1033.761 464.2797 1045.670 464.7618 1050.545 465.2440 1050.521 465.7261 1045.746 466.2082 1037.865 466.6903 1027.244 467.1724 1013.905 467.6545 997.5869 468.1367 978.4015 468.6188 957.0093 469.1009 933.5803 469.5830 908.5377 470.0651 883.3235 470.5472 856.3215 471.0294 831.3899 471.5115 809.9562 471.9936 790.9739 472.4757 773.3459 472.9578 756.7458 473.4399 740.6531 473.9221 724.3601 474.4042 707.6045 474.8863 692.2555 475.3684 678.4255 475.8505 665.5470 476.3326 652.5959 476.8148 640.6560 477.2969 631.5940 477.7790 626.3916 478.2611 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505.2596 128.0955 505.7418 117.5687 506.2239 107.5397 506.7060 99.04639 507.1881 92.37695 507.6702 86.36768 508.1523 80.16968 508.6345 74.35193 509.1166 70.05310 509.5987 67.39001 510.0808 65.33569 510.5629 63.21497 511.0450 61.03821 511.5272 58.57947 512.0093 55.36548 512.4914 52.35425 512.9735 49.28455 513.4556 46.87439 513.9377 46.58118 514.4199 48.50159 514.9020 50.41736 515.3841 49.64307 515.8662 45.85522 516.3483 42.46350 516.8304 39.93848 517.3126 37.17114 517.7947 33.17908 518.2768 29.02319 518.7589 26.25293 519.2410 25.49561 519.7231 25.92871 520.2053 26.73181 520.6874 27.99988 521.1695 28.35474 521.6516 26.76562 522.1337 25.29700 522.6158 25.82532 523.0980 27.61072 523.5801 28.46692 524.0622 26.70874 524.5443 24.60571 525.0264 24.59839 525.5085 26.44153 525.9907 28.88232 526.4728 31.74243 526.9549 34.47375 527.4370 36.12122 527.9191 36.49792 528.4012 37.14978 528.8834 38.74084 529.3655 40.22107 529.8476 40.60632 530.3297 40.23022 530.8118 40.31494 531.2939 41.58118 531.7761 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