#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:34 +0300 (Thu, 26 Apr 2018) $ #$Revision: 594 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000134.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_1000134 loop_ _publ_author_name 'Rastsvetaeva, R. K.' 'Chukanov, N. V.' 'Pekov, I. V.' 'Shlyukova, Z. V.' 'Khomyakov, A. P.' _publ_section_title ; Structures of two potassium-rich labuntsovites in relation to the crystal chemistry of minerals of the labuntsovite-nenadkevichite family Sample: I ; _journal_name_full 'Crystallography Reports' _journal_page_first 820 _journal_page_last 827 _journal_volume 43 _journal_year 1998 _chemical_compound_source R110169 _chemical_formula_sum 'H15.68 K3.4 Mn0.2 Na2 Nb0.8 O32.4 Si8 Ti3.2' _chemical_name_mineral Labuntsovite-Mn _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 116.9 _cell_angle_gamma 90 _cell_length_a 14.42 _cell_length_b 13.91 _cell_length_c 7.8 _cell_volume 1395.254 _exptl_crystal_density_diffrn 2.800 _cod_original_formula_sum 'Na2 K3.4 (Ti3.2 Nb.8) Mn.2 Si8 O32.4 H15.68' _cod_database_code 9012633 _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 R110169.rod _rod_data_source.block 3500000 _rod_database.code 1000134 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 9012633 COD http://www.crystallography.net/cod/9012633.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 177.4203 0.0000000E+00 177.9024 1.487915 178.3845 2.887207 178.8666 4.230835 179.3488 2.252197 179.8309 0.1316530 180.3130 0.9772340 180.7951 0.7711180 181.2772 0.3480220 181.7593 1.7273000E-02 182.2415 0.6912230 182.7236 2.149963 183.2057 4.423035 183.6878 6.844177 184.1699 8.374390 184.6520 8.262207 185.1342 8.640015 185.6163 9.840515 186.0984 11.39783 186.5805 12.80792 187.0626 13.91345 187.5447 14.92078 188.0269 16.21399 188.5090 17.89850 188.9911 19.42255 189.4732 20.22833 189.9553 20.84943 190.4374 22.29633 190.9196 25.06714 191.4017 28.34229 191.8838 30.97107 192.3659 32.92365 192.8480 34.79895 193.3301 36.92859 193.8123 39.20355 194.2944 41.30908 194.7765 43.32605 195.2586 44.85980 195.7407 45.58270 196.2228 45.48157 196.7050 45.07153 197.1871 44.31659 197.6692 43.27496 198.1513 43.35303 198.6334 46.10925 199.1155 49.00433 199.5977 50.30011 200.0798 49.92010 200.5619 48.90021 201.0440 47.89917 201.5261 46.75342 202.0082 46.75323 202.4904 49.31763 202.9725 52.21558 203.4546 54.24182 203.9367 55.31189 204.4188 56.27368 204.9009 58.28467 205.3831 61.84430 205.8652 64.90247 206.3473 67.13336 206.8294 69.05963 207.3115 71.04138 207.7936 73.09497 208.2758 74.91754 208.7579 75.92920 209.2400 75.23468 209.7221 75.75903 210.2042 78.20905 210.6863 81.14728 211.1685 83.75574 211.6506 85.81146 212.1327 87.71149 212.6148 88.90356 213.0969 90.26672 213.5790 91.07935 214.0612 91.36078 214.5433 91.13678 215.0254 90.20355 215.5075 88.57935 215.9896 86.81232 216.4717 85.75128 216.9539 85.97827 217.4360 85.45093 217.9181 83.42242 218.4002 80.97974 218.8823 79.15735 219.3644 78.21234 219.8466 77.77673 220.3287 77.58197 220.8108 77.83984 221.2929 77.11462 221.7750 74.18506 222.2571 70.56122 222.7393 68.27856 223.2214 67.88733 223.7035 68.09149 224.1856 67.36963 224.6677 65.81970 225.1498 63.98401 225.6320 61.67981 226.1141 59.25195 226.5962 57.23047 227.0783 55.68164 227.5604 54.60406 228.0425 54.24701 228.5247 54.44098 229.0068 54.46735 229.4889 53.93732 229.9710 53.06274 230.4531 52.30304 230.9352 51.72949 231.4174 51.22632 231.8995 50.56622 232.3816 49.87000 232.8637 49.51807 233.3458 50.03693 233.8279 51.07446 234.3101 51.38147 234.7922 50.45996 235.2743 49.05615 235.7564 48.55304 236.2385 48.63409 236.7206 48.67230 237.2028 48.40387 237.6849 47.81628 238.1670 46.84528 238.6491 45.20868 239.1312 43.68500 239.6133 42.64758 240.0955 41.90405 240.5776 41.09253 241.0597 39.94049 241.5418 38.57050 242.0239 37.73102 242.5060 38.54565 242.9882 38.24835 243.4703 35.39166 243.9524 31.15985 244.4345 27.19958 244.9166 24.42865 245.3987 22.68317 245.8809 21.27844 246.3630 20.36310 246.8451 19.63983 247.3272 19.13593 247.8093 18.74652 248.2914 18.39746 248.7736 18.06323 249.2557 17.67358 249.7378 16.93677 250.2199 15.21869 250.7020 13.94208 251.1841 13.59406 251.6663 13.68451 252.1484 13.59625 252.6305 13.02130 253.1126 12.19623 253.5947 11.84534 254.0768 12.78461 254.5590 13.23389 255.0411 12.28601 255.5232 11.10706 256.0053 11.07922 256.4874 12.78613 256.9695 15.59991 257.4517 18.00171 257.9338 19.62268 258.4159 21.23077 258.8980 22.62183 259.3801 24.09100 259.8622 25.98016 260.3444 28.40155 260.8265 31.17047 261.3086 33.94159 261.7907 36.66901 262.2728 39.49048 262.7549 42.59229 263.2371 45.70306 263.7192 48.59363 264.2013 51.20105 264.6834 53.48187 265.1655 55.29089 265.6476 56.16248 266.1298 57.75439 266.6119 60.67767 267.0940 64.02283 267.5761 67.07153 268.0582 69.67151 268.5403 71.80737 269.0225 73.40265 269.5046 74.31281 269.9867 75.24487 270.4688 76.41431 270.9509 77.49200 271.4330 78.09448 271.9152 78.20343 272.3973 78.28735 272.8794 78.94775 273.3615 80.21179 273.8436 80.53516 274.3257 78.56018 274.8079 76.56592 275.2900 76.89264 275.7721 79.47437 276.2542 81.69373 276.7363 81.34796 277.2184 78.71033 277.7006 77.08917 278.1827 76.98816 278.6648 77.52722 279.1469 78.55188 279.6290 79.91614 280.1111 80.52185 280.5933 79.27136 281.0754 76.89221 281.5575 75.92651 282.0396 77.27924 282.5217 78.92896 283.0038 79.58154 283.4860 79.41669 283.9681 79.34723 284.4502 79.72473 284.9323 80.52124 285.4144 81.60889 285.8965 83.07129 286.3787 84.60144 286.8608 85.91815 287.3429 87.13623 287.8250 88.68884 288.3071 90.76935 288.7892 93.19165 289.2714 95.70135 289.7535 98.30511 290.2356 100.8910 290.7177 103.5408 291.1998 106.1380 291.6819 108.2684 292.1641 109.5852 292.6462 110.9257 293.1283 113.6584 293.6104 117.5728 294.0925 120.6069 294.5746 121.1885 295.0568 120.4587 295.5389 120.6900 296.0210 122.2587 296.5031 124.4490 296.9852 126.7416 297.4673 129.1643 297.9495 131.8911 298.4316 135.7305 298.9137 139.6138 299.3958 141.4952 299.8779 140.8652 300.3600 140.5219 300.8422 142.7491 301.3243 146.4850 301.8064 150.0033 302.2885 152.8908 302.7706 155.4742 303.2527 158.1024 303.7349 160.7850 304.2170 163.4514 304.6991 166.0126 305.1812 168.5701 305.6633 171.4138 306.1454 174.8820 306.6276 177.8836 307.1097 179.3390 307.5918 179.3164 308.0739 178.9176 308.5560 178.4677 309.0381 177.8122 309.5203 176.7764 310.0024 175.3498 310.4845 174.0519 310.9666 173.3524 311.4487 173.0281 311.9308 172.1664 312.4130 170.4089 312.8951 168.2314 313.3772 166.1119 313.8593 164.0359 314.3414 161.9952 314.8235 160.1443 315.3057 158.3121 315.7878 155.9856 316.2699 153.1392 316.7520 149.7543 317.2341 145.3926 317.7162 140.4617 318.1984 135.8477 318.6805 131.8281 319.1626 128.4029 319.6447 125.7492 320.1268 124.0197 320.6089 122.1183 321.0911 119.3510 321.5732 116.1182 322.0553 112.9074 322.5374 109.7367 323.0195 106.5162 323.5016 103.3735 323.9838 100.3462 324.4659 97.12726 324.9480 93.35928 325.4301 89.39969 325.9122 85.73257 326.3943 82.36542 326.8765 79.39713 327.3586 77.11212 327.8407 75.43289 328.3228 73.54376 328.8049 70.96298 329.2870 68.44800 329.7692 66.82172 330.2513 65.97806 330.7334 65.19168 331.2155 63.94693 331.6976 62.56339 332.1797 61.92191 332.6619 62.39316 333.1440 63.06918 333.6261 62.67386 334.1082 61.72159 334.5903 61.75681 335.0724 64.09015 335.5546 67.35703 336.0367 69.79282 336.5188 71.32816 337.0009 72.56171 337.4830 73.82047 337.9651 74.99268 338.4473 75.86545 338.9294 76.34927 339.4115 76.64883 339.8936 76.87167 340.3757 77.02490 340.8578 77.23352 341.3400 77.65506 341.8221 78.02612 342.3042 77.98996 342.7863 77.52994 343.2684 76.80191 343.7505 75.75204 344.2327 74.49301 344.7148 73.31833 345.1969 72.32596 345.6790 71.32849 346.1611 69.92807 346.6432 68.20694 347.1254 66.90741 347.6075 66.61411 348.0896 66.65808 348.5717 66.15549 349.0538 65.00546 349.5359 63.89825 350.0181 63.36029 350.5002 63.30130 350.9823 63.20248 351.4644 63.04468 351.9465 62.84048 352.4286 62.69687 352.9108 62.55463 353.3929 62.02206 353.8750 60.72540 354.3571 59.11899 354.8392 58.36557 355.3214 58.77469 355.8035 59.18820 356.2856 59.55624 356.7677 59.59067 357.2498 58.76178 357.7319 56.89871 358.2141 54.22165 358.6962 50.71707 359.1783 46.15430 359.6604 42.24438 360.1425 39.60757 360.6246 37.42078 361.1068 34.97205 361.5889 32.16415 362.0710 29.29904 362.5531 26.61450 363.0352 24.10321 363.5173 21.61215 363.9995 19.24466 364.4816 16.77771 364.9637 13.94797 365.4458 10.92969 365.9279 8.220551 366.4100 6.135010 366.8922 4.406464 367.3743 2.195557 367.8564 1.174072 368.3385 4.052399 368.8206 6.157257 369.3027 7.701721 369.7849 8.801300 370.2670 9.505951 370.7491 10.04449 371.2312 10.72620 371.7133 11.59857 372.1954 12.45737 372.6776 13.42050 373.1597 14.27255 373.6418 15.01633 374.1239 15.56290 374.6060 15.66153 375.0881 15.07144 375.5703 13.81305 376.0524 12.66461 376.5345 11.81335 377.0166 10.84833 377.4987 9.377869 377.9808 7.808105 378.4630 6.812775 378.9451 6.706024 379.4272 7.066406 379.9093 6.859772 380.3914 5.453430 380.8735 4.536102 381.3557 4.667999 381.8378 4.908875 382.3199 4.442108 382.8020 3.230255 383.2841 1.923798 383.7662 1.204681 384.2484 1.090820 384.7305 1.440125 385.2126 2.939941 385.6947 4.259979 386.1768 5.107666 386.6589 5.442841 387.1411 5.225861 387.6232 4.361389 388.1053 3.039185 388.5874 1.904694 389.0695 0.8451540 389.5516 0.2232060 390.0338 0.6415410 390.5159 1.184875 390.9980 0.8948970 391.4801 0.4856870 391.9622 2.185760 392.4443 3.147827 392.9265 3.246429 393.4086 3.821503 393.8907 5.241669 394.3728 7.027313 394.8549 9.152985 395.3370 11.45703 395.8192 13.40973 396.3013 14.50620 396.7834 14.99994 397.2655 15.72153 397.7476 16.74371 398.2297 17.80066 398.7119 18.50446 399.1940 19.23334 399.6761 20.63568 400.1582 23.19705 400.6403 25.74652 401.1224 26.89178 401.6046 26.72980 402.0867 26.81082 402.5688 27.88803 403.0509 29.05740 403.5330 29.14081 404.0151 28.11899 404.4973 27.18207 404.9794 26.81424 405.4615 26.87811 405.9436 27.29398 406.4257 28.11725 406.9078 28.74744 407.3900 28.69159 407.8721 27.98999 408.3542 27.00757 408.8363 25.50674 409.3184 23.96860 409.8005 22.56354 410.2827 21.35580 410.7648 20.65253 411.2469 20.69568 411.7290 21.10330 412.2111 20.90121 412.6932 19.55606 413.1754 18.99213 413.6575 20.32407 414.1396 22.17270 414.6217 22.95538 415.1038 22.46011 415.5859 21.74487 416.0681 21.85651 416.5502 22.87985 417.0323 23.86917 417.5144 24.49500 417.9965 25.42447 418.4786 27.12784 418.9608 29.30823 419.4429 31.36761 419.9250 32.98508 420.4071 34.38788 420.8892 36.20807 421.3713 38.72308 421.8535 41.24478 422.3356 43.85403 422.8177 46.40271 423.2998 48.66626 423.7819 50.66956 424.2640 52.65149 424.7462 54.80133 425.2283 57.06912 425.7104 59.66544 426.1925 63.44537 426.6746 66.72055 427.1567 68.77249 427.6389 70.12442 428.1210 71.50888 428.6031 73.24979 429.0852 75.31375 429.5673 77.63965 430.0494 80.27203 430.5316 83.02518 431.0137 86.23669 431.4958 89.29050 431.9779 91.72482 432.4600 93.56631 432.9421 95.21466 433.4243 96.99619 433.9064 98.84711 434.3885 100.4117 434.8706 101.4305 435.3527 102.8254 435.8348 105.5043 436.3170 108.8710 436.7991 112.0072 437.2812 114.6093 437.7633 116.9858 438.2454 119.5792 438.7275 122.2928 439.2097 124.4789 439.6918 125.8567 440.1739 126.7356 440.6560 127.3021 441.1381 127.4612 441.6202 128.3501 442.1024 130.7501 442.5845 133.7073 443.0666 136.2852 443.5487 138.3708 444.0308 139.7416 444.5129 140.0970 444.9951 139.5917 445.4772 139.5332 445.9593 140.4162 446.4414 141.1597 446.9235 141.3225 447.4056 141.1449 447.8878 141.0123 448.3699 141.0663 448.8520 141.1418 449.3341 141.1340 449.8162 141.7657 450.2983 139.9495 450.7805 134.0518 451.2626 127.5752 451.7447 122.1509 452.2268 117.6932 452.7089 113.4332 453.1910 108.8879 453.6732 104.1268 454.1553 99.48993 454.6374 95.13397 455.1195 90.61371 455.6016 85.79486 456.0837 80.86075 456.5659 75.73773 457.0480 70.48013 457.5301 65.80399 458.0122 62.78766 458.4943 61.37769 458.9764 59.21594 459.4586 55.68622 459.9407 52.21585 460.4228 49.29541 460.9049 46.97668 461.3870 45.41064 461.8691 44.79147 462.3513 44.71109 462.8334 44.53387 463.3155 44.29330 463.7976 44.89532 464.2797 46.79056 464.7618 49.48242 465.2440 52.24039 465.7261 55.03821 466.2082 58.45233 466.6903 62.50452 467.1724 67.38043 467.6545 73.46094 468.1367 80.70996 468.6188 88.55777 469.1009 96.56934 469.5830 104.8237 470.0651 113.9594 470.5472 123.6040 471.0294 134.3537 471.5115 146.3868 471.9936 159.5688 472.4757 174.1606 472.9578 190.0839 473.4399 206.3756 473.9221 221.9035 474.4042 236.5731 474.8863 250.9435 475.3684 265.6734 475.8505 279.5816 476.3326 291.6295 476.8148 302.6373 477.2969 313.7734 477.7790 325.4999 478.2611 338.0449 478.7432 351.7630 479.2253 366.6591 479.7075 382.5912 480.1896 399.5582 480.6717 417.4922 481.1538 436.4062 481.6359 456.2845 482.1180 477.1337 482.6002 498.4419 483.0823 520.7929 483.5644 546.6389 484.0465 576.5391 484.5286 607.5085 485.0107 639.0881 485.4929 670.5643 485.9750 701.3299 486.4571 731.1159 486.9392 760.1586 487.4213 790.2865 487.9034 819.5504 488.3856 844.0128 488.8677 863.4468 489.3498 876.4940 489.8319 882.3332 490.3140 880.0686 490.7961 869.6609 491.2783 849.8932 491.7604 823.3027 492.2425 790.1467 492.7246 751.0483 493.2067 705.8219 493.6888 654.5873 494.1710 600.3447 494.6531 548.2292 495.1352 498.1649 495.6173 450.8736 496.0994 405.6570 496.5815 363.4471 497.0637 324.9380 497.5458 289.9408 498.0279 258.1050 498.5100 229.2462 498.9921 203.1832 499.4742 178.8245 499.9564 155.7639 500.4385 135.6580 500.9206 119.7959 501.4027 105.9507 501.8848 93.05157 502.3669 81.03381 502.8491 70.55228 503.3312 62.39954 503.8133 56.01230 504.2954 49.92419 504.7775 44.10052 505.2596 38.86279 505.7418 34.45691 506.2239 30.75848 506.7060 27.39920 507.1881 24.22235 507.6702 22.03848 508.1523 21.69019 508.6345 22.45663 509.1166 23.08157 509.5987 23.37704 510.0808 23.97479 510.5629 25.29333 511.0450 27.37000 511.5272 30.43500 512.0093 35.14560 512.4914 39.93625 512.9735 44.04324 513.4556 48.12646 513.9377 53.02045 514.4199 58.94833 514.9020 65.81119 515.3841 73.52866 515.8662 82.25815 516.3483 90.62265 516.8304 97.49640 517.3126 105.2229 517.7947 114.5371 518.2768 125.1049 518.7589 136.4219 519.2410 148.2631 519.7231 160.5720 520.2053 173.3896 520.6874 186.7221 521.1695 200.5281 521.6516 214.5515 522.1337 229.5037 522.6158 245.9269 523.0980 263.4801 523.5801 281.3685 524.0622 299.3578 524.5443 317.4664 525.0264 335.3924 525.5085 353.3741 525.9907 372.1541 526.4728 392.4978 526.9549 412.8370 527.4370 430.7003 527.9191 445.9559 528.4012 461.0072 528.8834 477.0910 529.3655 492.2054 529.8476 505.1662 530.3297 515.9020 530.8118 524.7415 531.2939 531.9593 531.7761 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558.7746 34.71637 559.2567 32.04825 559.7388 29.51678 560.2209 27.78131 560.7031 26.56442 561.1852 24.97321 561.6673 22.46124 562.1494 20.30252 562.6315 18.51556 563.1136 17.08545 563.5958 16.25226 564.0779 15.80084 564.5600 15.15927 565.0421 13.93408 565.5242 12.22797 566.0063 10.21689 566.4885 7.655762 566.9706 5.535858 567.4527 4.331696 567.9348 3.495880 568.4169 2.834503 568.8990 2.284821 569.3812 1.506927 569.8633 5.5907998E-02 570.3454 1.742950 570.8275 2.421478 571.3096 2.158020 571.7917 2.030518 572.2739 2.550720 572.7560 3.397491 573.2381 3.973633 573.7202 4.172424 574.2023 4.514771 574.6844 5.166077 575.1666 5.962433 575.6487 7.056366 576.1308 8.183380 576.6129 8.652954 577.0950 8.081329 577.5771 6.977203 578.0593 6.455414 578.5414 6.637421 579.0235 7.120575 579.5056 8.479584 579.9877 9.491974 580.4698 9.439209 580.9520 8.598633 581.4341 7.679230 581.9162 6.950958 582.3983 6.404236 582.8804 6.088165 583.3625 5.942566 583.8447 5.569153 584.3268 4.822327 584.8089 4.109009 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