#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:56:57 +0300 (Thu, 24 May 2018) $ #$Revision: 835 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000324.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_1000324 loop_ _publ_author_name 'Tait, K. T.' 'Barkley, M. C.' 'Thompson, R. M.' 'Origlieri, M. J.' 'Evans, S. H.' 'Prewitt, C. T.' 'Yang, H.' _publ_section_title ; Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1065 _journal_page_last 1078 _journal_paper_doi 10.3749/canmin.49.4.1065 _journal_volume 49 _journal_year 2011 _chemical_compound_source 'Tip Top mine, South Dakota, USA 2' _chemical_formula_sum 'Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97' _chemical_name_mineral Bobdownsite _space_group_IT_number 161 _symmetry_space_group_name_Hall 'R 3 -2"c' _symmetry_space_group_name_H-M 'R 3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 10.3394 _cell_length_b 10.3394 _cell_length_c 37.0836 _cell_volume 3433.232 _exptl_crystal_density_diffrn 3.052 _cod_original_sg_symbol_H-M 'R 3 c' _cod_original_formula_sum 'Ca9 (Mg.96 Al.04) P6.97 O27.16 (F.84 H.16)' _cod_database_code 9014798 _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 R100215.rod _rod_data_source.block 3500000 _rod_database.code 1000324 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 9014798 COD http://www.crystallography.net/cod/9014798.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 169.6203 0.0000000E+00 170.1024 0.9390260 170.5845 3.8573999E-02 171.0666 1.599915 171.5487 1.235779 172.0309 0.1865230 172.5130 0.8487550 172.9951 0.9090580 173.4772 4.123047 173.9593 7.337524 174.4414 10.17383 174.9236 12.58539 175.4057 14.33655 175.8878 15.44611 176.3699 16.29297 176.8520 17.02380 177.3341 17.73035 177.8163 18.63934 178.2984 19.99451 178.7805 21.51495 179.2626 22.84430 179.7447 23.93811 180.2268 24.75800 180.7090 25.33069 181.1911 25.59760 181.6732 25.34045 182.1553 24.07318 182.6374 22.26630 183.1195 20.79529 183.6017 19.62592 184.0838 19.03809 184.5659 19.64740 185.0480 21.23981 185.5301 22.82477 186.0123 23.58295 186.4944 23.91602 186.9765 25.30243 187.4586 28.05115 187.9407 30.92584 188.4228 31.91223 188.9050 31.18085 189.3871 30.62946 189.8692 30.42487 190.3513 30.92084 190.8334 35.04535 191.3155 44.04626 191.7977 53.73346 192.2798 56.42578 192.7619 52.15796 193.2440 48.09631 193.7261 48.36127 194.2082 52.56091 194.6904 56.30396 195.1725 59.57751 195.6546 61.96826 196.1367 61.92328 196.6188 59.22388 197.1009 57.06104 197.5831 57.50836 198.0652 60.55444 198.5473 63.08221 199.0294 64.91644 199.5115 66.13623 199.9937 67.19238 200.4758 68.26752 200.9579 67.97064 201.4400 64.66974 201.9221 58.00281 202.4042 53.30280 202.8864 50.91437 203.3685 50.56836 203.8506 52.50818 204.3327 57.58032 204.8148 61.42627 205.2969 60.86810 205.7791 55.04938 206.2612 51.27325 206.7433 50.60840 207.2254 51.72070 207.7075 50.92108 208.1896 47.44653 208.6718 44.28375 209.1539 43.31665 209.6360 45.11267 210.1181 46.30573 210.6002 46.80011 211.0823 46.56146 211.5645 45.36456 212.0466 42.96289 212.5287 40.21198 213.0108 37.29742 213.4929 33.78784 213.9750 31.87518 214.4572 32.21503 214.9393 34.01166 215.4214 34.94226 215.9035 34.80194 216.3856 34.20459 216.8678 33.24017 217.3499 31.39795 217.8320 30.97461 218.3141 32.95282 218.7962 36.13763 219.2783 36.50757 219.7605 32.74097 220.2426 28.52887 220.7247 25.80829 221.2068 24.94586 221.6889 24.60522 222.1710 25.17975 222.6532 26.14490 223.1353 25.60455 223.6174 22.51721 224.0995 19.66516 224.5816 18.48853 225.0637 19.48218 225.5459 21.01721 226.0280 23.73859 226.5101 26.83258 226.9922 27.42371 227.4743 23.56976 227.9564 19.87402 228.4386 18.80804 228.9207 22.29816 229.4028 23.64520 229.8849 21.81525 230.3670 17.99298 230.8492 15.49390 231.3313 14.69153 231.8134 14.62885 232.2955 14.91919 232.7776 15.60571 233.2597 16.61053 233.7419 18.33069 234.2240 20.27716 234.7061 20.95062 235.1882 19.32086 235.6703 18.00952 236.1524 18.31927 236.6346 21.49084 237.1167 23.38672 237.5988 23.42627 238.0809 22.41541 238.5630 22.35883 239.0451 24.19873 239.5273 25.55164 240.0094 25.20465 240.4915 21.94647 240.9736 20.12585 241.4557 20.07678 241.9378 21.27734 242.4200 22.82819 242.9021 25.53674 243.3842 27.33386 243.8663 27.12048 244.3484 23.70471 244.8306 21.92657 245.3127 22.58032 245.7948 24.46216 246.2769 25.21332 246.7590 23.75500 247.2411 23.00909 247.7233 24.36658 248.2054 28.90216 248.6875 31.44537 249.1696 31.09442 249.6517 29.35077 250.1338 28.60797 250.6160 29.16638 251.0981 30.20929 251.5802 31.62012 252.0623 33.57953 252.5444 34.99689 253.0265 35.60431 253.5087 35.88562 253.9908 36.54510 254.4729 37.83636 254.9550 39.00891 255.4371 39.83026 255.9192 40.24756 256.4014 40.70642 256.8835 41.28351 257.3656 41.82562 257.8477 42.05969 258.3298 41.61902 258.8120 41.71527 259.2941 42.84210 259.7762 45.09601 260.2583 46.74060 260.7404 47.67749 261.2225 48.29730 261.7047 48.73596 262.1868 48.54364 262.6689 49.38898 263.1510 52.19501 263.6331 56.82959 264.1152 59.23456 264.5974 58.54779 265.0795 57.03162 265.5616 56.74060 266.0437 57.86206 266.5258 59.46204 267.0079 61.53900 267.4901 64.09338 267.9722 65.38623 268.4543 65.26123 268.9364 64.33392 269.4185 62.73358 269.9006 60.03198 270.3828 58.41138 270.8649 58.27008 271.3470 59.37311 271.8291 60.72144 272.3112 62.50629 272.7933 64.14032 273.2755 64.90570 273.7576 64.70245 274.2397 64.94946 274.7218 66.06317 275.2039 67.86438 275.6860 69.60895 276.1682 71.09393 276.6503 72.69653 277.1324 74.87988 277.6145 77.83057 278.0966 79.87122 278.5787 80.90393 279.0609 81.35034 279.5430 82.14532 280.0251 83.21606 280.5072 84.45111 280.9893 86.10413 281.4715 88.20380 281.9536 89.26428 282.4357 88.94116 282.9178 87.99438 283.3999 87.96613 283.8820 88.95013 284.3642 89.22638 284.8463 87.46948 285.3284 83.84119 285.8105 80.98596 286.2926 78.86334 286.7747 77.40692 287.2569 77.02222 287.7390 77.66187 288.2211 77.37183 288.7032 74.66589 289.1853 70.21820 289.6674 67.16132 290.1496 65.65790 290.6317 64.46655 291.1138 62.09131 291.5959 58.73450 292.0780 55.67780 292.5602 53.29742 293.0423 51.47284 293.5244 50.11511 294.0065 49.29022 294.4886 48.22614 294.9707 46.02832 295.4529 42.99518 295.9350 40.24384 296.4171 38.05646 296.8992 36.27856 297.3813 34.62982 297.8634 33.13159 298.3456 31.96265 298.8277 32.17676 299.3098 32.79291 299.7919 31.29047 300.2740 26.27167 300.7561 20.52100 301.2383 17.98486 301.7204 18.11212 302.2025 18.57831 302.6846 17.74493 303.1667 16.36511 303.6488 15.73560 304.1310 16.33832 304.6131 16.82581 305.0952 15.31348 305.5773 12.52313 306.0594 10.41467 306.5415 10.67047 307.0237 11.83423 307.5058 12.34583 307.9879 12.08997 308.4700 11.30951 308.9521 9.703308 309.4343 7.741516 309.9164 6.217590 310.3985 5.576111 310.8806 5.417419 311.3627 5.585999 311.8448 6.078674 312.3270 6.460205 312.8091 6.638123 313.2912 6.488831 313.7733 5.890503 314.2554 4.080505 314.7375 2.432617 315.2197 1.819580 315.7018 2.129272 316.1839 2.412720 316.6660 2.420044 317.1481 2.128601 317.6302 1.467041 318.1124 0.5498660 318.5945 1.740173 319.0766 0.7031860 319.5587 1.905701 320.0408 3.827209 320.5229 4.271667 321.0051 3.890320 321.4872 2.939209 321.9693 0.9945070 322.4514 0.6267090 322.9335 2.017212 323.4156 2.882324 323.8978 2.653381 324.3799 0.7133790 324.8620 3.502319 325.3441 4.183411 325.8262 1.878662 326.3083 0.1205440 326.7905 1.696106 327.2726 2.798523 327.7547 3.351196 328.2368 2.707153 328.7189 2.197449 329.2010 2.328857 329.6832 3.249634 330.1653 3.110718 330.6474 0.3245850 331.1295 2.379395 331.6116 2.647461 332.0938 1.882080 332.5759 5.097717 333.0580 6.023804 333.5401 4.910095 334.0222 3.388245 334.5043 0.6105960 334.9865 1.430298 335.4686 1.144714 335.9507 3.101318 336.4328 5.065674 336.9149 3.536682 337.3970 4.4617001E-02 337.8792 1.681641 338.3613 0.8492430 338.8434 0.3429570 339.3255 0.8825070 339.8076 0.6166380 340.2898 0.9203490 340.7719 1.964050 341.2540 3.265686 341.7361 4.298950 342.2182 5.097229 342.7003 5.095642 343.1825 3.495972 343.6646 0.7454220 344.1467 0.3682860 344.6288 2.746765 345.1109 5.548218 345.5930 6.267334 346.0752 5.098328 346.5573 4.101868 347.0394 3.982056 347.5215 4.163086 348.0036 3.159424 348.4857 1.004700 348.9679 1.224792 349.4500 3.157593 349.9321 4.579773 350.4142 4.518616 350.8963 2.249329 351.3784 3.9611999E-02 351.8606 1.255920 352.3427 5.226013 352.8248 8.541748 353.3069 8.467957 353.7890 6.924561 354.2711 6.675415 354.7533 8.059143 355.2354 9.565369 355.7175 9.970703 356.1996 9.595581 356.6817 8.997620 357.1638 8.099365 357.6460 7.290405 358.1281 7.089905 358.6102 7.425476 359.0923 7.385193 359.5744 6.058228 360.0565 4.275208 360.5387 2.822266 361.0208 1.766846 361.5029 1.269592 361.9850 2.077515 362.4671 3.633972 362.9492 4.203979 363.4314 1.768433 363.9135 0.7834470 364.3956 1.723755 364.8777 5.2306999E-02 365.3598 1.409668 365.8419 1.889465 366.3241 1.847229 366.8062 1.964661 367.2883 2.918579 367.7704 3.477783 368.2526 3.121765 368.7347 1.604980 369.2168 0.5275270 369.6989 0.4021610 370.1810 0.7017820 370.6631 0.1121830 371.1453 3.451782 371.6274 5.783875 372.1095 6.348633 372.5916 5.452515 373.0737 5.067566 373.5558 5.152954 374.0380 5.803040 374.5201 7.188843 375.0022 9.561035 375.4843 11.85040 375.9664 14.16980 376.4485 16.11829 376.9307 16.76648 377.4128 15.70746 377.8949 15.11566 378.3770 16.09167 378.8591 18.53394 379.3412 20.68048 379.8234 22.52661 380.3055 23.89142 380.7876 24.22363 381.2697 23.65546 381.7518 23.97107 382.2339 26.06586 382.7161 29.14227 383.1982 31.76678 383.6803 33.93274 384.1624 36.04926 384.6445 38.15247 385.1266 40.47339 385.6088 43.65985 386.0909 48.00885 386.5730 52.85822 387.0551 57.25922 387.5372 61.35626 388.0193 65.87549 388.5015 71.30219 388.9836 77.37122 389.4657 83.93097 389.9478 90.79639 390.4299 97.45251 390.9120 103.2424 391.3942 109.0509 391.8763 115.7510 392.3584 124.3818 392.8405 133.3490 393.3226 141.5389 393.8047 148.9650 394.2869 156.9031 394.7690 166.3560 395.2511 176.5827 395.7332 186.8677 396.2154 196.8298 396.6975 207.1165 397.1796 217.9790 397.6617 229.4451 398.1438 241.3317 398.6259 252.7712 399.1081 265.4456 399.5902 280.2796 400.0723 297.7098 400.5544 314.3918 401.0365 329.1221 401.5186 344.2922 402.0008 361.6398 402.4829 382.8453 402.9650 402.6915 403.4471 420.5803 403.9292 436.9895 404.4113 453.0398 404.8935 468.9655 405.3756 484.0258 405.8577 498.2156 406.3398 511.6503 406.8219 523.5080 407.3040 534.5447 407.7862 542.3301 408.2683 542.6894 408.7504 535.4854 409.2325 526.0687 409.7146 515.8779 410.1967 505.0670 410.6789 493.6599 411.1610 481.6823 411.6431 468.7179 412.1252 454.2491 412.6073 438.5778 413.0894 422.3302 413.5716 405.4664 414.0537 389.1919 414.5358 375.2639 415.0179 363.3997 415.5000 352.2207 415.9821 340.6943 416.4643 329.7463 416.9464 320.7493 417.4285 313.9520 417.9106 307.1754 418.3927 298.8014 418.8748 289.6797 419.3570 280.9744 419.8391 272.5543 420.3212 265.0325 420.8033 258.8677 421.2854 253.8839 421.7675 249.0809 422.2497 244.3852 422.7318 239.6897 423.2139 234.8099 423.6960 229.3494 424.1781 224.5944 424.6602 220.5742 425.1424 217.4111 425.6245 215.3768 426.1066 215.8196 426.5887 215.6611 427.0709 213.7060 427.5530 209.9453 428.0351 208.3367 428.5172 209.8307 428.9993 212.1611 429.4814 213.8475 429.9636 214.9033 430.4457 215.2045 430.9278 214.6599 431.4099 213.4271 431.8920 211.7014 432.3741 209.3928 432.8563 207.1765 433.3384 205.4496 433.8205 204.1100 434.3026 202.6831 434.7847 201.2263 435.2668 199.2023 435.7490 196.0547 436.2311 191.8672 436.7132 186.8872 437.1953 180.6487 437.6774 174.3862 438.1595 169.8043 438.6417 166.6401 439.1238 163.8025 439.6059 160.6772 440.0880 157.5271 440.5701 154.6444 441.0522 152.0723 441.5344 149.6400 442.0165 147.4700 442.4986 145.3062 442.9807 142.8419 443.4628 139.3536 443.9449 136.1533 444.4271 134.0483 444.9092 132.8217 445.3913 131.1019 445.8734 127.4462 446.3555 124.1185 446.8376 122.2513 447.3198 122.2048 447.8019 123.1133 448.2840 126.3047 448.7661 129.8751 449.2482 131.0336 449.7303 127.8693 450.2125 125.3984 450.6946 124.7602 451.1767 125.9018 451.6588 127.3277 452.1409 129.1897 452.6230 130.9586 453.1052 132.1198 453.5873 132.5784 454.0694 133.2694 454.5515 134.3190 455.0337 135.6944 455.5158 137.0703 455.9979 138.4415 456.4800 140.3038 456.9621 142.9749 457.4442 146.2019 457.9264 149.3828 458.4085 152.5458 458.8906 156.2816 459.3727 161.3432 459.8548 167.3657 460.3369 173.4620 460.8191 179.1764 461.3012 185.3035 461.7833 193.1983 462.2654 202.1650 462.7475 210.6462 463.2296 219.0864 463.7118 226.0548 464.1939 230.7448 464.6760 233.0287 465.1581 233.0581 465.6402 230.7856 466.1223 226.5414 466.6045 220.5566 467.0866 212.6265 467.5687 203.2686 468.0508 191.4315 468.5329 178.1616 469.0150 165.6705 469.4972 153.8463 469.9793 143.2219 470.4614 134.3817 470.9435 127.3589 471.4256 119.8215 471.9077 111.2386 472.3899 103.2925 472.8720 97.72046 473.3541 94.64160 473.8362 91.83484 474.3183 88.92285 474.8004 86.19470 475.2826 84.43854 475.7647 83.57904 476.2468 82.57324 476.7289 80.86853 477.2110 78.62909 477.6931 76.04834 478.1753 73.11835 478.6574 70.48676 479.1395 68.55365 479.6216 67.29431 480.1037 66.83234 480.5858 67.80194 481.0680 68.44336 481.5501 66.69055 482.0322 63.75848 482.5143 62.19745 482.9964 64.35663 483.4786 66.96173 483.9607 68.78461 484.4428 69.74652 484.9249 69.48065 485.4070 67.31689 485.8892 64.28491 486.3713 61.03857 486.8534 56.41479 487.3355 53.44049 487.8176 53.15082 488.2997 54.22974 488.7819 53.82855 489.2640 51.45758 489.7461 48.65448 490.2282 45.81976 490.7103 42.93152 491.1924 40.09192 491.6746 37.23895 492.1567 34.58386 492.6388 32.41339 493.1209 30.64935 493.6030 28.99585 494.0851 27.50739 494.5673 25.76208 495.0494 22.94672 495.5315 19.29742 496.0136 15.77899 496.4957 12.16595 496.9778 9.299866 497.4600 8.539612 497.9421 9.682190 498.4242 10.64673 498.9063 10.18939 499.3884 9.015808 499.8705 7.707825 500.3527 6.395691 500.8348 4.935242 501.3169 2.806885 501.7990 0.6549680 502.2811 0.6184690 502.7632 0.1707760 503.2454 0.7838750 503.7275 0.5545040 504.2096 0.4046630 504.6917 0.8456420 505.1738 0.3081670 505.6559 0.1455690 506.1381 0.1605830 506.6202 1.565796 507.1023 2.213684 507.5844 1.820496 508.0665 1.165588 508.5486 1.430725 509.0308 2.645325 509.5129 3.638855 509.9950 4.148560 510.4771 4.242249 510.9592 3.766113 511.4413 2.827942 511.9235 2.325317 512.4056 3.386108 512.8877 5.046875 513.3698 5.909424 513.8519 5.858826 514.3340 5.265076 514.8162 3.956604 515.2983 2.420105 515.7804 1.211243 516.2625 0.1549680 516.7446 0.1303710 517.2267 1.391113 517.7089 3.880859 518.1910 5.273865 518.6731 3.814880 519.1552 2.402771 519.6373 2.108276 520.1194 3.030273 520.6016 4.020020 521.0837 5.677063 521.5658 6.737244 522.0479 6.016785 522.5300 2.798096 523.0121 0.4943850 523.4943 0.5228270 523.9764 0.7147220 524.4585 0.6524050 524.9406 0.3175050 525.4227 0.5395510 525.9048 2.134583 526.3870 4.238281 526.8691 4.242004 527.3513 2.302002 527.8334 0.7442020 528.3155 1.440491 528.7976 3.486633 529.2797 5.791321 529.7618 8.351318 530.2440 10.40247 530.7261 11.02905 531.2082 10.92548 531.6903 10.96753 532.1724 10.85736 532.6545 11.54712 533.1367 14.29907 533.6188 18.27960 534.1009 20.62415 534.5830 18.29730 535.0651 16.78503 535.5472 18.20453 536.0294 23.11578 536.5115 27.07117 536.9936 29.89813 537.4757 32.02063 537.9578 33.45398 538.4399 33.91656 538.9221 35.70105 539.4042 39.35992 539.8863 43.91907 540.3684 47.83252 540.8505 51.11816 541.3326 53.96387 541.8148 56.05658 542.2969 57.97858 542.7790 60.89862 543.2611 64.72131 543.7432 68.76123 544.2253 73.00366 544.7075 76.99182 545.1896 80.19019 545.6717 82.44708 546.1538 84.37518 546.6359 86.02301 547.1180 87.61096 547.6002 89.34943 548.0823 90.99829 548.5644 93.13806 549.0465 96.40704 549.5286 100.2775 550.0107 103.1780 550.4929 104.4417 550.9750 105.7329 551.4571 107.6934 551.9392 110.3336 552.4213 112.3671 552.9034 113.8227 553.3856 114.6233 553.8677 114.7820 554.3498 114.2758 554.8319 112.6014 555.3140 109.4833 555.7961 106.0169 556.2783 103.7986 556.7604 102.4319 557.2425 100.7694 557.7246 97.72961 558.2067 94.90857 558.6888 94.44489 559.1710 95.66394 559.6531 96.26971 560.1352 94.24170 560.6173 91.98907 561.0994 91.31934 561.5815 92.69983 562.0637 92.72998 562.5458 89.68213 563.0279 85.75079 563.5100 82.47437 563.9921 80.11639 564.4742 77.88965 564.9564 76.08099 565.4385 74.25183 565.9206 71.28119 566.4027 66.72827 566.8848 62.99817 567.3669 61.12524 567.8491 60.46082 568.3312 59.05127 568.8133 56.94922 569.2954 54.41754 569.7775 51.04742 570.2596 47.39185 570.7418 44.99493 571.2239 44.03333 571.7060 42.79846 572.1881 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