#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:48 +0300 (Thu, 24 May 2018) $ #$Revision: 851 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000338.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_1000338 loop_ _publ_author_name 'Kampf, A. R.' 'Moore, P. B.' _publ_section_title ; The crystal structure of bermanite, a hydrated manganese phosphate ; _journal_name_full 'American Mineralogist' _journal_page_first 1241 _journal_page_last 1248 _journal_volume 61 _journal_year 1976 _chemical_compound_source R130057 _chemical_formula_sum 'H10 Mn3 O14 P2' _chemical_name_mineral Bermanite _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90 _cell_angle_beta 110.3 _cell_angle_gamma 90 _cell_length_a 5.446 _cell_length_b 19.250 _cell_length_c 5.428 _cell_volume 533.703 _exptl_crystal_density_diffrn 2.868 _cod_original_formula_sum 'Mn3 P2 O14 H10' _cod_database_code 9000533 _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 R130057.rod _rod_data_source.block 3500000 _rod_database.code 1000338 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 9000533 COD http://www.crystallography.net/cod/9000533.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 188.6777 0.0000000E+00 189.1598 6.7413002E-02 189.6419 0.7214660 190.1240 2.101974 190.6061 3.952827 191.0883 5.717255 191.5704 6.733551 192.0525 7.112640 192.5346 8.196991 193.0167 10.49387 193.4988 13.34182 193.9810 14.53593 194.4631 13.83343 194.9452 12.91658 195.4273 12.70892 195.9094 13.18087 196.3915 13.65407 196.8737 14.06363 197.3558 14.35789 197.8379 14.36400 198.3200 14.08298 198.8021 13.62479 199.2842 13.01422 199.7664 12.21018 200.2485 11.58287 200.7306 11.22134 201.2127 11.09679 201.6948 11.13638 202.1769 11.45726 202.6591 11.60375 203.1412 10.95498 203.6233 9.351883 204.1054 8.170006 204.5875 7.783081 205.0696 8.105209 205.5518 8.385468 206.0339 8.554260 206.5160 9.106842 206.9981 10.57698 207.4802 12.46252 207.9623 13.86953 208.4445 14.80378 208.9266 15.34186 209.4087 15.56145 209.8908 15.37467 210.3729 15.12544 210.8550 15.49578 211.3372 16.72704 211.8193 17.84103 212.3014 18.64935 212.7835 19.14829 213.2656 19.28479 213.7477 19.00182 214.2299 18.44157 214.7120 17.76072 215.1941 16.94193 215.6762 16.03228 216.1583 15.00381 216.6404 13.85389 217.1226 12.77661 217.6047 11.77957 218.0868 10.84026 218.5689 9.934090 219.0510 9.088966 219.5331 8.203224 220.0153 7.239578 220.4974 6.190880 220.9795 5.093636 221.4616 3.848488 221.9437 2.650726 222.4258 1.773849 222.9080 1.441467 223.3901 0.9506380 223.8722 4.6839998E-03 224.3543 1.525459 224.8364 2.460487 225.3185 2.624657 225.8007 2.357056 226.2828 2.038368 226.7649 1.580528 227.2470 1.262253 227.7291 1.218781 228.2112 1.510315 228.6934 1.609215 229.1755 1.446312 229.6576 1.154686 230.1397 0.9255220 230.6218 0.8654250 231.1039 0.6604000 231.5861 0.1946490 232.0682 0.5906300 232.5503 1.291000 233.0324 1.936569 233.5145 2.477135 233.9966 2.829758 234.4788 2.860840 234.9609 2.945267 235.4430 3.199440 235.9251 3.656166 236.4072 4.053757 236.8893 4.437805 237.3715 4.726921 237.8536 4.795853 238.3357 4.498985 238.8178 4.228714 239.2999 4.032333 239.7820 3.877518 240.2642 4.074867 240.7463 4.856430 241.2284 5.790298 241.7105 6.317375 242.1926 6.158798 242.6747 6.098175 243.1569 6.365280 243.6390 7.016884 244.1211 7.506485 244.6032 7.682343 245.0853 7.833649 245.5674 8.334091 246.0496 9.447029 246.5317 10.36829 247.0138 10.97107 247.4959 11.22451 247.9780 11.51147 248.4601 11.73685 248.9423 12.08981 249.4244 12.81815 249.9065 14.14040 250.3886 15.40869 250.8707 16.47004 251.3528 17.30579 251.8350 18.17345 252.3171 19.00273 252.7992 19.92696 253.2813 21.12601 253.7634 22.77281 254.2455 24.28220 254.7277 25.47678 255.2098 26.35168 255.6919 27.44612 256.1740 28.95819 256.6561 30.43671 257.1382 31.40723 257.6204 31.70512 258.1025 31.90067 258.5846 32.04353 259.0667 32.14256 259.5488 32.41191 260.0309 32.91203 260.5131 33.48887 260.9952 33.98635 261.4773 34.34814 261.9594 34.80332 262.4415 35.39740 262.9236 36.12599 263.4058 36.92912 263.8879 37.94695 264.3700 38.81711 264.8521 39.16375 265.3342 38.72946 265.8163 38.66035 266.2985 39.24379 266.7806 40.33734 267.2627 41.22412 267.7448 42.01099 268.2269 42.35098 268.7090 41.78630 269.1912 39.97413 269.6733 38.75721 270.1554 38.60473 270.6375 39.14717 271.1196 38.87341 271.6017 37.61003 272.0839 36.01303 272.5660 34.50038 273.0481 33.06629 273.5302 31.73279 274.0123 30.56002 274.4944 29.43971 274.9766 27.97646 275.4587 26.08501 275.9408 24.20049 276.4229 22.68739 276.9050 21.58149 277.3871 20.28138 277.8693 18.68306 278.3514 16.94021 278.8335 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305.8320 30.75311 306.3141 32.42223 306.7963 34.54322 307.2784 37.29140 307.7605 40.29865 308.2426 43.31552 308.7247 46.36394 309.2068 49.49687 309.6890 52.65748 310.1711 55.96726 310.6532 59.51738 311.1353 63.32657 311.6174 67.27983 312.0995 71.33875 312.5817 75.43441 313.0638 79.50804 313.5459 83.57325 314.0280 87.62801 314.5101 91.70708 314.9922 95.79470 315.4744 99.82394 315.9565 103.6465 316.4386 107.4233 316.9207 111.2963 317.4028 115.4371 317.8849 119.5775 318.3671 123.6662 318.8492 127.7278 319.3313 131.5276 319.8134 135.0918 320.2955 138.3405 320.7776 141.1773 321.2598 143.3353 321.7419 145.3294 322.2240 147.2734 322.7061 149.1583 323.1882 150.8882 323.6703 152.9521 324.1525 154.4870 324.6346 154.9922 325.1167 153.9902 325.5988 152.6055 326.0809 150.5853 326.5630 148.2137 327.0452 146.2769 327.5273 145.6238 328.0094 144.7156 328.4915 142.9439 328.9736 139.8127 329.4557 137.0635 329.9379 134.9330 330.4200 133.1021 330.9021 131.0880 331.3842 128.7151 331.8663 126.3679 332.3484 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359.3470 12.56001 359.8291 11.47426 360.3112 11.35447 360.7933 11.26958 361.2755 10.56300 361.7576 9.073372 362.2397 7.712952 362.7218 6.921471 363.2039 6.407715 363.6860 5.846809 364.1682 5.158493 364.6503 4.399429 365.1324 3.512764 365.6145 2.505219 366.0966 1.721039 366.5787 1.360741 367.0609 1.151573 367.5430 0.9188610 368.0251 0.6191480 368.5072 0.3272170 368.9893 4.8508000E-02 369.4714 0.2166900 369.9536 0.4542390 370.4357 0.6197970 370.9178 0.8061680 371.3999 1.060844 371.8820 1.453003 372.3641 1.734268 372.8463 1.839828 373.3284 1.874153 373.8105 2.025452 374.2926 2.400276 374.7747 2.650780 375.2568 2.643944 375.7390 2.376732 376.2211 2.183044 376.7032 2.063950 377.1853 2.015320 377.6674 2.083656 378.1495 2.298790 378.6317 2.350372 379.1138 2.120697 379.5959 1.724770 380.0780 1.544693 380.5601 1.600624 381.0422 1.650513 381.5244 1.461639 382.0065 1.094521 382.4886 0.9268340 382.9707 1.038460 383.4528 1.227600 383.9349 1.251068 384.4171 1.110977 384.8992 0.8322070 385.3813 0.2862010 385.8634 0.3496170 386.3455 0.7627490 386.8276 0.9359890 387.3098 1.027138 387.7919 1.190033 388.2740 1.362793 388.7561 1.425812 389.2382 1.177017 389.7203 0.9610290 390.2025 1.164734 390.6846 1.696716 391.1667 2.132698 391.6488 2.068680 392.1309 1.893150 392.6130 1.975716 393.0952 2.563362 393.5773 3.021606 394.0594 2.863586 394.5415 2.409668 395.0236 2.254242 395.5057 2.917145 395.9879 3.616493 396.4700 3.968102 396.9521 3.856689 397.4342 3.985100 397.9163 4.583794 398.3984 5.411766 398.8806 6.248985 399.3627 7.290413 399.8448 8.096107 400.3269 8.507317 400.8090 8.588577 401.2911 8.795288 401.7733 9.000740 402.2554 9.479485 402.7375 10.43098 403.2196 12.13072 403.7017 13.60535 404.1838 14.74497 404.6660 15.72198 405.1481 16.85741 405.6302 18.21748 406.1123 19.51392 406.5944 20.62308 407.0765 21.55917 407.5587 22.49184 408.0408 23.39099 408.5229 24.41433 409.0050 25.83852 409.4871 27.62092 409.9692 29.23051 410.4514 30.54719 410.9335 31.64388 411.4156 32.61881 411.8977 33.47367 412.3798 34.33690 412.8619 35.47262 413.3441 36.63277 413.8262 37.29191 414.3083 37.33638 414.7904 37.16315 415.2725 37.16465 415.7546 37.23919 416.2368 37.17436 416.7189 36.97188 417.2010 36.52615 417.6831 35.59595 418.1652 34.22456 418.6473 32.97303 419.1295 32.36177 419.6116 31.90922 420.0937 31.17834 420.5758 29.75289 421.0579 28.47540 421.5400 27.67431 422.0222 27.21434 422.5043 26.73774 422.9864 25.88761 423.4685 25.25710 423.9506 25.17605 424.4327 25.93828 424.9149 26.31394 425.3970 25.87159 425.8791 25.23212 426.3612 25.00856 426.8433 25.40421 427.3254 25.88087 427.8076 26.35502 428.2897 26.84902 428.7718 27.47487 429.2539 28.25955 429.7360 29.07658 430.2181 29.89502 430.7003 30.75741 431.1824 31.35489 431.6645 31.53377 432.1466 31.64767 432.6287 32.37858 433.1108 33.74550 433.5930 35.22982 434.0751 36.63374 434.5572 37.98951 435.0393 39.42086 435.5214 40.91651 436.0035 42.42200 436.4857 43.74157 436.9678 45.04904 437.4499 46.82427 437.9320 49.30770 438.4141 51.95573 438.8962 54.08620 439.3784 55.89926 439.8605 57.95081 440.3426 60.68680 440.8247 63.64580 441.3068 66.52315 441.7889 69.27587 442.2711 71.96319 442.7532 74.45263 443.2353 76.97520 443.7174 79.75178 444.1995 82.97668 444.6816 86.26566 445.1638 89.49397 445.6459 92.68311 446.1280 96.07382 446.6101 100.0519 447.0922 103.9442 447.5743 107.4685 448.0565 110.4845 448.5386 113.4016 449.0207 116.1366 449.5028 118.8098 449.9849 121.5510 450.4670 124.4942 450.9492 127.2437 451.4313 129.6240 451.9134 131.7100 452.3955 134.1433 452.8776 137.1175 453.3597 139.6327 453.8419 140.7943 454.3240 140.6290 454.8061 140.6209 455.2882 141.0080 455.7703 141.2823 456.2524 140.4615 456.7346 138.6943 457.2167 137.0747 457.6988 136.3135 458.1809 135.8571 458.6630 134.6496 459.1451 132.7365 459.6273 130.6972 460.1094 128.8508 460.5915 127.2024 461.0736 125.7614 461.5557 124.5048 462.0378 123.4746 462.5200 122.7638 463.0021 122.2895 463.4842 121.9066 463.9663 121.2999 464.4484 120.9959 464.9305 121.2637 465.4127 122.1258 465.8948 123.3375 466.3769 125.0284 466.8590 126.9489 467.3411 128.9313 467.8232 130.7567 468.3054 132.8803 468.7875 135.4373 469.2696 138.2937 469.7517 141.1492 470.2338 144.2081 470.7159 146.8286 471.1981 148.7173 471.6802 149.8181 472.1623 150.7798 472.6444 151.7025 473.1265 152.3391 473.6086 152.3967 474.0908 151.8285 474.5729 150.6478 475.0550 148.7766 475.5371 146.4545 476.0192 144.1002 476.5013 141.6968 476.9835 139.1432 477.4656 136.2410 477.9477 133.1348 478.4298 130.0091 478.9119 126.8607 479.3940 123.8488 479.8762 121.0889 480.3583 118.5943 480.8404 116.3520 481.3225 114.2953 481.8046 112.5087 482.2867 111.0919 482.7689 109.9853 483.2510 109.0334 483.7331 108.2976 484.2152 107.6003 484.6973 106.9023 485.1794 106.2288 485.6616 105.4766 486.1437 104.7685 486.6258 103.9003 487.1079 102.6892 487.5900 100.9468 488.0721 99.18056 488.5543 97.48266 489.0364 95.77402 489.5185 93.85485 490.0006 91.74598 490.4827 89.40064 490.9648 86.80138 491.4470 83.94417 491.9291 80.95177 492.4112 77.83188 492.8933 74.61455 493.3754 71.30759 493.8575 67.92159 494.3397 64.51682 494.8218 61.07906 495.3039 57.74816 495.7860 54.71978 496.2681 51.99796 496.7502 49.60565 497.2324 47.78975 497.7145 46.13133 498.1966 44.16956 498.6787 41.86124 499.1608 39.70833 499.6429 37.94572 500.1251 36.45617 500.6072 35.08352 501.0893 33.74103 501.5714 32.60975 502.0535 31.78362 502.5356 31.18680 503.0178 30.64088 503.4999 30.23607 503.9820 29.75599 504.4641 29.14660 504.9462 28.40644 505.4283 27.61221 505.9105 26.72011 506.3926 25.85474 506.8747 25.17726 507.3568 24.76115 507.8389 24.01909 508.3210 22.82919 508.8032 21.43924 509.2853 20.27726 509.7674 19.33242 510.2495 18.43588 510.7316 17.45559 511.2137 16.49308 511.6959 15.83697 512.1780 15.46619 512.6601 15.03492 513.1422 14.23831 513.6243 13.25380 514.1064 12.31750 514.5886 11.49595 515.0707 10.63273 515.5528 9.463833 516.0349 8.238693 516.5170 7.297173 516.9991 7.031467 517.4813 6.781460 517.9634 6.336998 518.4455 5.713116 518.9276 5.065071 519.4097 4.354553 519.8918 3.678783 520.3740 3.093376 520.8561 2.627419 521.3382 2.130871 521.8203 1.544182 522.3024 0.9932940 522.7845 0.6532550 523.2667 0.5749590 523.7488 0.3912770 524.2309 4.0165000E-02 524.7130 0.5534170 525.1951 0.6407590 525.6772 0.3136940 526.1594 8.5320003E-02 526.6415 0.3275220 527.1236 0.8613130 527.6057 1.343018 528.0878 1.761162 528.5699 2.006031 529.0521 1.730118 529.5342 1.307041 530.0163 1.286205 530.4984 2.098595 530.9805 2.805218 531.4626 2.760197 531.9448 2.250538 532.4269 1.833511 532.9090 1.630470 533.3911 1.582405 533.8732 1.756859 534.3553 2.164188 534.8375 2.384422 535.3196 2.358376 535.8017 2.194321 536.2838 1.916504 536.7659 1.404499 537.2480 1.137177 537.7302 1.203075 538.2123 1.398537 538.6944 1.430252 539.1765 1.290981 539.6586 1.094280 540.1407 0.8717120 540.6229 0.6111640 541.1050 0.2722320 541.5871 0.1393010 542.0692 0.5549510 542.5513 0.9258230 543.0334 1.283043 543.5156 1.690872 543.9977 2.158222 544.4798 2.584877 544.9619 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