#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:36:33 +0300 (Thu, 26 Apr 2018) $ #$Revision: 501 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000055.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_1000055 loop_ _publ_author_name 'Harlow, G. E.' 'Hawthorne, F. C.' _publ_section_title ; Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from Ehrenfriedersdorf, Germany Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany Note: 20517 Note: Occupancies derived from electron-microprobe analysis ; _journal_name_full 'American Mineralogist' _journal_page_first 1545 _journal_page_last 1549 _journal_paper_doi 10.2138/am.2008.2943 _journal_volume 93 _journal_year 2008 _chemical_compound_source R060353 _chemical_formula_sum 'Be Ca F0.48 H0.52 O4.52 P' _chemical_name_mineral Hydroxylherderite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 90.184 _cell_angle_gamma 90 _cell_length_a 9.7615 _cell_length_b 7.6680 _cell_length_c 4.7853 _cell_volume 358.184 _exptl_crystal_density_diffrn 3.005 _cod_original_formula_sum 'Ca Be P O4.52 (F.48 H.52)' _cod_database_code 9013174 _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 R060353.rod _rod_data_source.block 3500000 _rod_database.code 1000055 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 9013174 COD http://www.crystallography.net/cod/9013174.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 102.6219 0.0000000E+00 103.1040 2.1729000E-02 103.5861 1.339478 104.0682 2.957520 104.5504 3.370728 105.0325 2.022827 105.5146 0.5955810 105.9967 0.7460940 106.4788 2.809570 106.9609 4.102051 107.4431 3.914307 107.9252 3.112305 108.4073 2.838257 108.8894 3.910278 109.3715 3.364624 109.8536 2.950562 110.3358 2.914795 110.8179 3.334717 111.3000 4.579224 111.7821 6.557861 112.2642 7.734497 112.7463 7.240479 113.2285 5.772339 113.7106 3.711304 114.1927 1.069458 114.6748 6.6895001E-02 115.1569 1.847534 115.6390 6.386108 116.1212 9.401001 116.6033 8.715576 117.0854 6.619141 117.5675 4.462524 118.0496 3.411011 118.5317 3.338135 119.0139 3.427856 119.4960 4.137939 119.9781 5.088867 120.4602 6.323975 120.9423 7.713501 121.4244 9.097412 121.9066 10.41406 122.3887 11.72473 122.8708 11.93201 123.3529 10.68787 123.8350 8.952759 124.3171 6.928711 124.7993 4.732788 125.2814 2.631836 125.7635 0.8197020 126.2456 0.6885990 126.7277 1.518555 127.2098 2.057007 127.6920 1.749268 128.1741 0.8321530 128.6562 6.478882 129.1383 11.83972 129.6204 11.61707 130.1025 6.494385 130.5847 1.872437 131.0668 0.2332760 131.5489 0.8718260 132.0310 1.392944 132.5131 1.267090 132.9952 0.9202880 133.4774 0.6011960 133.9595 0.3344730 134.4416 0.4117430 134.9237 1.474365 135.4058 3.816895 135.8879 5.164185 136.3701 2.894531 136.8522 0.9201660 137.3343 1.890137 137.8164 6.414795 138.2985 12.63831 138.7806 17.46838 139.2628 20.21167 139.7449 22.68970 140.2270 25.43127 140.7091 27.90466 141.1912 29.69580 141.6733 30.60632 142.1555 30.64771 142.6376 29.83337 143.1197 27.64258 143.6018 25.06909 144.0839 21.49341 144.5660 17.65833 145.0482 14.75085 145.5303 13.53992 146.0124 13.78760 146.4945 13.70776 146.9766 12.85608 147.4587 12.17432 147.9409 12.32104 148.4230 13.10254 148.9051 13.54065 149.3872 12.65833 149.8693 10.84106 150.3514 10.25464 150.8336 12.35986 151.3157 14.84106 151.7978 15.11975 152.2799 12.78882 152.7620 10.88867 153.2441 12.63635 153.7263 16.39587 154.2084 19.54419 154.6905 20.51770 155.1726 20.38013 155.6547 21.57849 156.1368 24.66675 156.6190 28.19653 157.1011 31.77332 157.5832 35.07617 158.0653 37.90283 158.5474 39.28992 159.0295 39.54187 159.5117 42.79919 159.9938 51.20532 160.4759 61.46875 160.9580 72.20288 161.4401 83.59192 161.9222 96.34790 162.4044 111.3369 162.8865 129.1143 163.3686 146.3931 163.8507 160.4946 164.3328 176.4788 164.8149 197.4357 165.2971 223.0897 165.7792 250.3794 166.2613 276.5940 166.7434 303.5930 167.2255 322.2958 167.7076 337.1727 168.1898 342.4965 168.6719 332.0345 169.1540 305.2135 169.6361 268.9778 170.1182 232.0332 170.6003 192.6694 171.0825 157.6610 171.5646 126.7518 172.0467 100.6450 172.5288 80.87598 173.0109 68.33154 173.4930 60.42517 173.9752 53.39929 174.4573 46.88196 174.9394 42.00452 175.4215 39.81372 175.9036 39.48633 176.3857 39.13416 176.8679 38.01013 177.3500 37.06091 177.8321 37.46899 178.3142 39.24500 178.7963 41.61670 179.2784 44.33911 179.7606 47.37744 180.2427 50.30859 180.7248 53.26477 181.2069 55.80774 181.6890 57.72852 182.1711 59.02417 182.6533 59.47534 183.1354 58.73596 183.6175 56.68628 184.0996 54.16260 184.5817 50.32764 185.0638 46.77747 185.5460 44.40649 186.0281 43.53918 186.5102 44.00500 186.9923 45.83374 187.4744 49.44043 187.9565 53.37695 188.4387 56.41101 188.9208 60.20874 189.4029 65.93860 189.8850 73.98022 190.3671 84.05945 190.8492 95.91626 191.3314 109.8860 191.8135 125.2778 192.2956 141.5176 192.7777 159.1620 193.2598 180.0952 193.7419 204.8031 194.2241 230.1600 194.7062 248.6180 195.1883 259.7295 195.6704 263.0498 196.1525 256.9241 196.6346 243.5061 197.1168 224.0042 197.5989 198.7168 198.0810 169.8446 198.5631 143.7151 199.0452 119.8075 199.5273 98.94788 200.0095 81.30408 200.4916 66.84326 200.9737 55.79321 201.4558 48.57629 201.9379 44.12817 202.4200 39.25708 202.9022 33.34802 203.3843 28.14990 203.8664 24.69092 204.3485 22.47571 204.8306 20.09155 205.3127 16.75159 205.7949 13.11462 206.2770 10.64661 206.7591 9.693604 207.2412 8.987549 207.7233 7.804688 208.2054 6.213989 208.6876 4.687256 209.1697 3.450439 209.6518 2.348022 210.1339 1.066406 210.6160 0.5518800 211.0981 1.912476 211.5803 2.319214 212.0624 1.768188 212.5445 1.428589 213.0266 1.766968 213.5087 2.491455 213.9908 3.532593 214.4730 4.992188 214.9551 6.110229 215.4372 5.794189 215.9193 3.771729 216.4014 1.979370 216.8836 1.341553 217.3657 0.9166260 217.8478 3.9184999E-02 218.3299 1.451904 218.8120 3.151733 219.2941 4.558228 219.7763 5.689697 220.2584 6.420044 220.7405 5.987427 221.2226 5.607422 221.7047 6.300781 222.1868 8.301880 222.6690 10.81433 223.1511 12.70972 223.6332 14.20923 224.1153 14.45581 224.5974 12.42383 225.0795 9.939941 225.5617 8.360229 226.0438 8.053101 226.5259 8.393066 227.0080 8.354492 227.4901 8.015137 227.9722 7.086914 228.4544 5.085205 228.9365 2.889771 229.4186 1.135498 229.9007 2.5024001E-02 230.3828 0.5947270 230.8649 0.9779050 231.3471 1.212891 231.8292 1.001587 232.3113 0.3543700 232.7934 0.6843260 233.2755 2.355591 233.7576 4.634399 234.2398 6.895752 234.7219 8.064697 235.2040 7.384277 235.6861 6.816162 236.1682 5.771729 236.6503 5.132690 237.1325 6.199219 237.6146 9.213989 238.0967 12.56616 238.5788 13.79907 239.0609 11.79321 239.5430 10.02783 240.0252 8.165039 240.5073 6.806519 240.9894 6.769775 241.4715 8.242798 241.9536 10.39661 242.4357 12.27478 242.9179 13.94226 243.4000 14.95520 243.8821 14.52075 244.3642 13.75659 244.8463 13.86707 245.3284 15.10510 245.8106 16.99866 246.2927 19.13452 246.7748 21.52307 247.2569 23.91943 247.7390 26.47815 248.2211 28.95251 248.7033 31.00952 249.1854 32.57800 249.6675 33.90125 250.1496 34.88196 250.6317 35.65247 251.1138 37.34241 251.5960 41.56885 252.0781 46.26672 252.5602 48.45129 253.0423 47.52039 253.5244 45.98096 254.0065 46.36401 254.4887 47.92053 254.9708 48.48975 255.4529 47.15234 255.9350 44.68542 256.4171 41.97498 256.8992 38.94922 257.3813 36.14685 257.8635 33.80200 258.3456 31.94958 258.8277 30.83362 259.3098 31.26526 259.7919 32.04041 260.2740 31.19788 260.7562 28.34692 261.2383 25.53870 261.7204 24.14380 262.2025 23.42554 262.6846 22.51038 263.1667 21.06543 263.6489 19.40833 264.1310 17.86023 264.6131 16.33459 265.0952 15.29224 265.5773 15.69531 266.0594 16.40588 266.5416 16.14966 267.0237 14.29260 267.5058 12.18140 267.9879 11.90332 268.4700 13.94458 268.9521 15.44958 269.4343 15.36475 269.9164 14.49402 270.3985 13.07239 270.8806 11.06030 271.3627 9.172729 271.8448 8.399780 272.3270 8.904907 272.8091 9.502686 273.2912 10.62280 273.7733 11.46338 274.2554 11.21301 274.7375 9.713867 275.2197 7.889038 275.7018 6.845337 276.1839 6.720459 276.6660 6.306885 277.1481 4.343140 277.6302 2.880737 278.1124 3.411743 278.5945 5.823242 279.0766 8.485229 279.5587 9.818115 280.0408 9.716309 280.5229 9.323242 281.0051 8.224487 281.4872 7.234375 281.9693 6.986694 282.4514 7.244507 282.9335 7.138672 283.4156 5.543579 283.8978 2.396118 284.3799 0.8264160 284.8620 2.504639 285.3441 4.175293 285.8262 4.345825 286.3083 3.608887 286.7905 3.386719 287.2726 4.770996 287.7547 7.591675 288.2368 10.22424 288.7189 12.13904 289.2010 14.53870 289.6832 18.93726 290.1653 23.80505 290.6474 26.58289 291.1295 25.47314 291.6116 21.71680 292.0938 20.46790 292.5759 23.95020 293.0580 26.89600 293.5401 28.04004 294.0222 28.24451 294.5043 28.34216 294.9865 28.68628 295.4686 29.39844 295.9507 30.94019 296.4328 34.42810 296.9149 36.68420 297.3970 36.58069 297.8792 35.69238 298.3613 35.32434 298.8434 35.87964 299.3255 36.95300 299.8076 37.98474 300.2897 39.29761 300.7719 39.76062 301.2540 38.77185 301.7361 37.45837 302.2182 36.61816 302.7003 36.32605 303.1824 35.99097 303.6646 34.79407 304.1467 32.36841 304.6288 30.42285 305.1109 29.28931 305.5930 28.29395 306.0751 27.18372 306.5573 25.93445 307.0394 24.61426 307.5215 23.25610 308.0036 21.82812 308.4857 20.64612 308.9678 20.23315 309.4500 19.54834 309.9321 18.06689 310.4142 16.08325 310.8963 14.14832 311.3784 12.63452 311.8605 11.53674 312.3427 10.84863 312.8248 10.33386 313.3069 10.59888 313.7890 12.79187 314.2711 15.50977 314.7532 16.66956 315.2354 15.15723 315.7175 12.23401 316.1996 11.67749 316.6817 15.62683 317.1638 18.64026 317.6459 20.14099 318.1281 20.55615 318.6102 19.71899 319.0923 17.73181 319.5744 15.87390 320.0565 16.52734 320.5386 20.92603 321.0208 24.66077 321.5029 27.39819 321.9850 29.76538 322.4671 31.87256 322.9492 33.81873 323.4313 35.97290 323.9135 39.16357 324.3956 43.97595 324.8777 46.79883 325.3598 45.24500 325.8419 43.99866 326.3240 44.86438 326.8062 47.59521 327.2883 51.07288 327.7704 54.59570 328.2525 58.10449 328.7346 60.83044 329.2167 61.23572 329.6989 62.54224 330.1810 65.51428 330.6631 69.93921 331.1452 75.68225 331.6273 82.81018 332.1094 90.64600 332.5916 97.08472 333.0737 100.4344 333.5558 105.4437 334.0379 114.2798 334.5200 124.2958 335.0021 133.3114 335.4843 140.5170 335.9664 145.6360 336.4485 148.1263 336.9306 147.3792 337.4127 145.7721 337.8948 143.9795 338.3770 141.1493 338.8591 136.4384 339.3412 129.9175 339.8233 122.6498 340.3055 115.5569 340.7876 108.7068 341.2697 101.7926 341.7518 93.56262 342.2339 86.57886 342.7160 82.93787 343.1982 81.39734 343.6803 78.83643 344.1624 72.60132 344.6445 63.72729 345.1266 57.52795 345.6087 55.38782 346.0909 53.84045 346.5730 51.58618 347.0551 49.19092 347.5372 47.49536 348.0193 46.93994 348.5014 46.82422 348.9836 45.75354 349.4657 43.38428 349.9478 41.23523 350.4299 39.94666 350.9120 38.87207 351.3941 37.60315 351.8763 36.06079 352.3584 34.30542 352.8405 32.31958 353.3226 30.08472 353.8047 27.97937 354.2868 25.86572 354.7690 24.12366 355.2511 22.99634 355.7332 22.42493 356.2153 22.16479 356.6974 22.31458 357.1795 22.69006 357.6617 22.52087 358.1438 21.62244 358.6259 20.54871 359.1080 19.79529 359.5901 19.06567 360.0722 17.80750 360.5544 15.63306 361.0365 13.06787 361.5186 10.47156 362.0007 7.702637 362.4828 6.206299 362.9649 7.696289 363.4471 10.16187 363.9292 11.29016 364.4113 10.67261 364.8934 9.492798 365.3755 8.767334 365.8576 8.320190 366.3398 6.943726 366.8219 3.549683 367.3040 0.3780520 367.7861 6.0999999E-04 368.2682 2.154419 368.7503 4.542603 369.2325 6.601074 369.7146 8.223022 370.1967 9.208252 370.6788 9.526978 371.1609 9.305176 371.6430 8.334595 372.1252 6.864502 372.6073 5.770142 373.0894 5.563843 373.5715 5.455566 374.0536 4.602051 374.5357 3.178833 375.0179 2.334839 375.5000 2.974121 375.9821 4.227783 376.4642 3.895630 376.9463 1.191772 377.4284 1.047119 377.9106 1.330811 378.3927 0.5574950 378.8748 0.3627930 379.3569 1.228394 379.8390 2.328247 380.3211 2.565063 380.8033 1.752075 381.2854 1.090332 381.7675 0.5438230 382.2496 0.2583010 382.7317 0.4846190 383.2138 1.166748 383.6960 1.905029 384.1781 2.464722 384.6602 2.827271 385.1423 2.757568 385.6244 2.458130 386.1065 1.622681 386.5887 0.6555180 387.0708 3.388428 387.5529 4.761597 388.0350 3.930786 388.5171 1.866211 388.9992 0.6990970 389.4814 1.382446 389.9635 1.550293 390.4456 1.048462 390.9277 0.1522220 391.4098 1.297974 391.8919 3.100220 392.3741 4.418945 392.8562 4.331177 393.3383 2.672852 393.8204 0.7969970 394.3025 2.080078 394.7846 4.370850 395.2668 5.259521 395.7489 5.197998 396.2310 5.130737 396.7131 5.642334 397.1952 6.392944 397.6773 6.122559 398.1595 3.814209 398.6416 2.158691 399.1237 1.689697 399.6058 1.805908 400.0879 1.938721 400.5700 1.977051 401.0522 2.300537 401.5343 3.621704 402.0164 6.234619 402.4985 8.039429 402.9806 8.156372 403.4627 8.179321 403.9449 8.829224 404.4270 9.943115 404.9091 10.99792 405.3912 11.66370 405.8733 12.03748 406.3554 12.50049 406.8376 13.26013 407.3197 13.56775 407.8018 12.87451 408.2839 11.70325 408.7660 10.26001 409.2481 8.374634 409.7303 7.333252 410.2124 9.036987 410.6945 13.27173 411.1766 16.70630 411.6587 18.65173 412.1408 19.53137 412.6230 19.24194 413.1051 18.03247 413.5872 17.83704 414.0693 20.37366 414.5514 24.09216 415.0335 26.39258 415.5157 27.02209 415.9978 27.43860 416.4799 28.57117 416.9620 30.19873 417.4441 31.54114 417.9262 31.97571 418.4084 32.91504 418.8905 34.82153 419.3726 37.83313 419.8547 42.77881 420.3368 50.35632 420.8189 58.57300 421.3011 63.76953 421.7832 64.83704 422.2653 67.78857 422.7474 74.48523 423.2295 82.50391 423.7116 90.00598 424.1938 96.78369 424.6759 103.4296 425.1580 110.5859 425.6401 118.1238 426.1222 123.8676 426.6043 129.3274 427.0865 131.5284 427.5686 128.6796 428.0507 122.4396 428.5328 114.5808 429.0149 105.8301 429.4970 96.98010 429.9792 89.43127 430.4613 83.70825 430.9434 77.97070 431.4255 71.44202 431.9076 65.37659 432.3897 60.82446 432.8719 57.54565 433.3540 54.51453 433.8361 50.83960 434.3182 46.75269 434.8003 43.85730 435.2824 42.47363 435.7646 41.86084 436.2467 42.24878 436.7288 42.98364 437.2109 43.28162 437.6930 42.92627 438.1751 42.68384 438.6573 43.48450 439.1394 45.28687 439.6215 47.17737 440.1036 49.06055 440.5857 50.90100 441.0678 52.14783 441.5500 53.20044 442.0321 55.58850 442.5142 60.95007 442.9963 67.81946 443.4784 73.24622 443.9605 77.01074 444.4427 81.98291 444.9248 89.92834 445.4069 99.51758 445.8890 108.5500 446.3711 117.0969 446.8532 124.6067 447.3354 130.8075 447.8175 135.7764 448.2996 139.7593 448.7817 142.8193 449.2638 144.6372 449.7459 145.1000 450.2281 144.1460 450.7102 140.6058 451.1923 133.2230 451.6744 124.5072 452.1565 115.8835 452.6386 107.1598 453.1208 97.55725 453.6029 86.47510 454.0850 74.79419 454.5671 64.96887 455.0492 57.69519 455.5313 51.50732 456.0135 47.01245 456.4956 43.12219 456.9777 38.80762 457.4598 34.07520 457.9419 29.71777 458.4240 26.48267 458.9062 24.39856 459.3883 22.69128 459.8704 21.90881 460.3525 20.84888 460.8346 18.65784 461.3167 16.26929 461.7989 15.25183 462.2810 16.22888 462.7631 17.40784 463.2452 15.36072 463.7273 9.174316 464.2094 5.219727 464.6916 5.986816 465.1737 7.651978 465.6558 8.231934 466.1379 7.798584 466.6200 7.014160 467.1021 5.733643 467.5843 4.551880 468.0664 5.189087 468.5485 8.043213 469.0306 9.779053 469.5127 8.128052 469.9948 4.901733 470.4770 2.968262 470.9591 2.610107 471.4412 2.860596 471.9233 3.456055 472.4054 4.290649 472.8875 5.220947 473.3697 6.240234 473.8518 7.178589 474.3339 7.936035 474.8160 8.483276 475.2981 8.610596 475.7802 8.509888 476.2624 7.799316 476.7445 5.220703 477.2266 2.063110 477.7087 1.171631 478.1908 3.700073 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