#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:49:23 +0300 (Thu, 24 May 2018) $ #$Revision: 801 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000295.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_1000295 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' _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 R100214.rod _rod_data_source.block 3500000 _rod_database.code 1000295 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 170.1024 0.0000000E+00 170.5845 1.405975 171.0666 2.215881 171.5487 0.6725460 172.0309 0.1691890 172.5130 0.1810910 172.9951 1.572815 173.4772 4.261078 173.9593 8.715759 174.4414 18.21124 174.9236 27.86261 175.4057 31.19968 175.8878 28.21375 176.3699 24.71210 176.8520 26.12152 177.3341 30.63248 177.8163 34.52759 178.2984 35.68271 178.7805 34.90729 179.2626 34.09061 179.7447 33.32281 180.2268 31.91769 180.7090 28.88870 181.1911 24.60339 181.6732 20.19882 182.1553 15.77194 182.6374 11.64282 183.1195 8.854950 183.6017 7.558533 184.0838 6.645813 184.5659 4.338287 185.0480 1.027466 185.5301 1.374390 186.0123 1.615997 186.4944 0.2103880 186.9765 1.369080 187.4586 3.128540 187.9407 4.872223 188.4228 6.375488 188.9050 7.632660 189.3871 8.677734 189.8692 9.406189 190.3513 9.878998 190.8334 10.32935 191.3155 10.60309 191.7977 11.27347 192.2798 13.76416 192.7619 18.07361 193.2440 21.86087 193.7261 24.04080 194.2082 24.66364 194.6904 24.00394 195.1725 21.63205 195.6546 18.85889 196.1367 18.58932 196.6188 21.01901 197.1009 23.27469 197.5831 23.48831 198.0652 21.67355 198.5473 20.78012 199.0294 21.29813 199.5115 22.32947 199.9937 21.81317 200.4758 19.50894 200.9579 17.21881 201.4400 16.09647 201.9221 16.24728 202.4042 16.10309 202.8864 15.76041 203.3685 14.89026 203.8506 12.06094 204.3327 6.543671 204.8148 2.097687 205.2969 1.434235 205.7791 5.265930 206.2612 7.630371 206.7433 7.996521 207.2254 6.858154 207.7075 5.185883 208.1896 2.620361 208.6718 0.5559390 209.1539 0.1813660 209.6360 0.6217650 210.1181 1.744019 210.6002 3.274017 211.0823 5.010162 211.5645 6.377960 212.0466 7.334839 212.5287 8.066010 213.0108 8.681000 213.4929 9.217194 213.9750 9.519470 214.4572 9.488525 214.9393 9.260437 215.4214 9.224396 215.9035 9.398041 216.3856 9.720917 216.8678 10.33063 217.3499 11.63559 217.8320 11.71085 218.3141 9.635040 218.7962 6.495361 219.2783 6.111206 219.7605 10.02600 220.2426 13.85794 220.7247 15.15942 221.2068 13.07291 221.6889 10.78052 222.1710 7.914703 222.6532 5.053802 223.1353 4.426178 223.6174 7.595306 224.0995 10.38165 224.5816 10.22876 225.0637 4.914368 225.5459 2.510803 226.0280 4.486786 226.5101 9.264374 226.9922 11.87555 227.4743 11.34525 227.9564 10.15366 228.4386 9.471588 228.9207 9.240417 229.4028 9.756775 229.8849 11.49228 230.3670 13.88571 230.8492 15.13733 231.3313 14.40054 231.8134 13.77097 232.2955 14.35086 232.7776 17.07935 233.2597 18.77066 233.7419 18.92062 234.2240 18.17221 234.7061 18.23294 235.1882 19.57773 235.6703 21.02109 236.1524 22.04257 236.6346 22.34036 237.1167 22.98129 237.5988 24.41211 238.0809 26.03387 238.5630 26.26108 239.0451 23.83847 239.5273 21.89731 240.0094 21.87079 240.4915 24.77728 240.9736 26.89471 241.4557 27.91168 241.9378 28.27753 242.4200 28.92783 242.9021 30.01944 243.3842 31.12311 243.8663 32.09955 244.3484 32.92426 244.8306 33.80618 245.3127 34.73376 245.7948 35.71445 246.2769 36.80438 246.7590 38.20413 247.2411 39.35892 247.7233 40.02560 248.2054 40.04910 248.6875 40.15524 249.1696 40.22852 249.6517 40.46713 250.1338 41.20956 250.6160 42.59518 251.0981 44.25137 251.5802 46.08951 252.0623 48.15924 252.5444 50.18021 253.0265 51.94565 253.5087 53.82388 253.9908 56.38245 254.4729 60.06650 254.9550 63.59973 255.4371 66.52933 255.9192 68.69852 256.4014 71.28864 256.8835 74.70242 257.3656 78.14563 257.8477 80.74594 258.3298 82.36923 258.8120 83.42139 259.2941 83.64154 259.7762 82.89389 260.2583 83.73834 260.7404 86.91931 261.2225 90.75806 261.7047 93.62695 262.1868 95.48737 262.6689 96.44092 263.1510 96.21899 263.6331 94.85703 264.1152 94.05389 264.5974 93.86734 265.0795 94.12115 265.5616 94.77435 266.0437 96.07977 266.5258 97.03473 267.0079 97.24850 267.4901 96.89935 267.9722 97.60162 268.4543 99.74677 268.9364 102.0963 269.4185 103.5548 269.9006 103.9380 270.3828 104.3141 270.8649 104.7934 271.3470 105.5309 271.8291 107.4077 272.3112 110.5840 272.7933 114.0720 273.2755 117.2766 273.7576 120.2913 274.2397 122.6924 274.7218 124.4164 275.2039 125.6260 275.6860 126.6558 276.1682 127.1270 276.6503 128.3622 277.1324 131.7635 277.6145 137.5826 278.0966 142.1685 278.5787 144.9312 279.0609 146.7262 279.5430 149.6147 280.0251 153.7708 280.5072 157.8206 280.9893 161.0252 281.4715 163.4137 281.9536 165.9219 282.4357 168.9339 282.9178 171.5876 283.3999 172.3132 283.8820 170.9634 284.3642 168.8144 284.8463 166.6060 285.3284 164.2531 285.8105 160.5875 286.2926 155.3429 286.7747 149.5741 287.2569 144.9255 287.7390 141.3235 288.2211 137.2709 288.7032 132.1472 289.1853 126.0955 289.6674 119.4365 290.1496 112.0502 290.6317 104.7301 291.1138 98.20581 291.5959 92.45242 292.0780 87.50848 292.5602 83.41791 293.0423 80.08560 293.5244 77.62949 294.0065 76.12579 294.4886 74.33115 294.9707 70.31491 295.4529 64.85681 295.9350 60.96265 296.4171 60.05569 296.8992 60.47598 297.3813 59.55469 297.8634 57.33795 298.3456 54.21112 298.8277 49.68387 299.3098 44.52698 299.7919 40.48840 300.2740 38.04315 300.7561 36.64499 301.2383 36.35928 301.7204 36.88431 302.2025 36.73474 302.6846 33.91306 303.1667 30.12085 303.6488 28.12769 304.1310 28.82629 304.6131 29.95148 305.0952 29.36917 305.5773 27.42572 306.0594 25.06747 306.5415 22.21277 307.0237 19.47354 307.5058 17.39911 307.9879 16.04721 308.4700 15.42801 308.9521 16.34314 309.4343 17.91229 309.9164 18.61389 310.3985 17.48703 310.8806 15.45233 311.3627 12.74268 311.8448 9.336304 312.3270 6.737854 312.8091 6.305878 313.2912 7.035583 313.7733 7.743744 314.2554 8.235962 314.7375 8.398926 315.2197 7.958923 315.7018 7.007111 316.1839 6.311798 316.6660 6.233521 317.1481 6.552124 317.6302 7.129120 318.1124 8.682220 318.5945 9.558350 319.0766 8.753387 319.5587 6.720184 320.0408 5.027740 320.5229 4.111450 321.0051 3.707520 321.4872 3.768188 321.9693 4.778992 322.4514 5.315430 322.9335 4.871002 323.4156 3.777863 323.8978 2.676453 324.3799 1.391541 324.8620 0.3640440 325.3441 0.2433780 325.8262 0.3623350 326.3083 0.2253720 326.7905 0.8329470 327.2726 1.921539 327.7547 1.931519 328.2368 0.9682920 328.7189 3.073364 329.2010 3.388367 329.6832 1.705811 330.1653 0.5261230 330.6474 0.3544920 331.1295 0.5868230 331.6116 0.2357180 332.0938 3.535309 332.5759 5.599976 333.0580 5.523865 333.5401 3.639771 334.0222 2.454010 334.5043 2.184540 334.9865 2.294708 335.4686 2.550415 335.9507 3.170746 336.4328 3.297333 336.9149 2.670471 337.3970 1.619781 337.8792 0.9572750 338.3613 0.5633540 338.8434 0.8393250 339.3255 2.439636 339.8076 5.773193 340.2898 7.055054 340.7719 5.761261 341.2540 3.323792 341.7361 1.702637 342.2182 0.9660950 342.7003 0.6808780 343.1825 0.8948970 343.6646 1.491669 344.1467 1.665588 344.6288 1.365112 345.1109 0.9042360 345.5930 0.5199580 346.0752 0.2319030 346.5573 0.1147160 347.0394 0.2223510 347.5215 0.4870300 348.0036 0.8397520 348.4857 1.276733 348.9679 1.546448 349.4500 1.405487 349.9321 0.9431150 350.4142 0.3613590 350.8963 0.4015810 351.3784 1.049042 351.8606 0.9331670 352.3427 0.2778020 352.8248 8.2549997E-02 353.3069 0.8409120 353.7890 2.138550 354.2711 2.505310 354.7533 1.774689 355.2354 0.7427670 355.7175 1.4950000E-03 356.1996 0.5700990 356.6817 1.159485 357.1638 2.349060 357.6460 3.231781 358.1281 2.795898 358.6102 1.157043 359.0923 0.2436220 359.5744 0.2983700 360.0565 0.1683960 360.5387 0.3463440 361.0208 0.2560120 361.5029 0.8575440 361.9850 1.166351 362.4671 1.209442 362.9492 1.053589 363.4314 0.3758540 363.9135 0.2406620 364.3956 0.4584660 364.8777 0.1161500 365.3598 0.3605960 365.8419 1.227081 366.3241 2.102386 366.8062 2.403900 367.2883 1.330200 367.7704 0.3679200 368.2526 7.2783999E-02 368.7347 9.1461003E-02 369.2168 0.3602910 369.6989 1.022339 370.1810 1.575653 370.6631 1.558502 371.1453 0.2791750 371.6274 0.7333980 372.1095 1.296326 372.5916 5.279480 373.0737 7.467102 373.5558 6.699097 374.0380 5.875031 374.5201 6.849915 375.0022 10.51291 375.4843 12.88229 375.9664 13.35510 376.4485 12.88980 376.9307 13.32904 377.4128 14.70059 377.8949 16.79846 378.3770 19.90903 378.8591 23.93066 379.3412 26.70938 379.8234 27.95023 380.3055 28.97202 380.7876 31.46460 381.2697 35.33429 381.7518 38.58990 382.2339 40.14563 382.7161 41.15338 383.1982 44.80280 383.6803 51.00763 384.1624 57.45148 384.6445 61.67456 385.1266 64.82574 385.6088 70.04364 386.0909 78.08295 386.5730 86.69965 387.0551 92.75458 387.5372 97.25024 388.0193 102.8137 388.5015 111.4220 388.9836 121.3486 389.4657 130.6887 389.9478 139.1620 390.4299 147.7579 390.9120 156.8011 391.3942 166.7352 391.8763 177.7830 392.3584 189.9537 392.8405 203.2178 393.3226 218.2495 393.8047 234.5983 394.2869 250.3398 394.7690 263.6950 395.2511 277.0091 395.7332 291.6088 396.2154 307.6278 396.6975 324.9462 397.1796 343.9366 397.6617 364.1514 398.1438 384.9441 398.6259 404.6894 399.1081 427.0530 399.5902 453.6670 400.0723 485.1760 400.5544 516.0310 401.0365 545.2322 401.5186 574.5435 402.0008 605.0686 402.4829 637.1893 402.9650 670.2767 403.4471 704.6686 403.9292 740.0773 404.4113 775.1376 404.8935 811.5461 405.3756 844.1953 405.8577 870.6144 406.3398 890.4055 406.8219 905.6440 407.3040 916.9464 407.7862 922.7258 408.2683 920.6691 408.7504 910.7458 409.2325 894.6531 409.7146 871.5757 410.1967 843.2473 410.6789 813.4377 411.1610 782.1417 411.6431 749.8871 412.1252 716.6669 412.6073 683.0069 413.0894 650.3895 413.5716 619.4218 414.0537 590.4131 414.5358 563.8702 415.0179 539.9471 415.5000 518.3345 415.9821 499.8604 416.4643 483.4368 416.9464 467.9258 417.4285 453.2701 417.9106 439.8400 418.3927 428.7816 418.8748 418.7388 419.3570 408.2959 419.8391 396.3693 420.3212 384.4190 420.8033 372.1303 421.2854 359.9877 421.7675 349.9457 422.2497 344.4514 422.7318 339.8521 423.2139 334.1709 423.6960 326.3214 424.1781 319.3422 424.6602 313.2824 425.1424 308.4011 425.6245 305.1503 426.1066 303.9787 426.5887 303.8925 427.0709 304.8398 427.5530 306.8149 428.0351 309.2374 428.5172 312.3160 428.9993 315.5748 429.4814 318.8488 429.9636 322.4037 430.4457 324.8611 430.9278 325.8129 431.4099 325.8916 431.8920 326.8128 432.3741 328.8411 432.8563 329.6909 433.3384 327.8975 433.8205 323.8438 434.3026 320.1926 434.7847 316.9597 435.2668 313.8621 435.7490 311.3442 436.2311 308.8593 436.7132 304.4515 437.1953 297.2020 437.6774 288.3534 438.1595 278.7256 438.6417 268.6256 439.1238 259.3198 439.6059 252.1165 440.0880 245.8240 440.5701 239.0948 441.0522 231.6548 441.5344 224.5230 442.0165 218.2947 442.4986 212.7478 442.9807 207.6457 443.4628 202.7625 443.9449 198.4517 444.4271 195.0455 444.9092 192.4148 445.3913 189.8157 445.8734 187.2244 446.3555 184.5601 446.8376 181.6061 447.3198 177.2448 447.8019 174.9431 448.2840 176.4155 448.7661 179.3215 449.2482 180.2798 449.7303 177.6326 450.2125 175.9177 450.6946 176.2688 451.1767 178.4958 451.6588 180.5470 452.1409 182.5535 452.6230 184.3389 453.1052 185.6868 453.5873 186.5088 454.0694 187.2338 454.5515 187.8707 455.0337 188.4553 455.5158 189.1527 455.9979 189.9821 456.4800 190.5903 456.9621 190.8833 457.4442 190.8153 457.9264 189.8870 458.4085 188.1410 458.8906 186.9606 459.3727 188.1846 459.8548 190.5313 460.3369 192.1649 460.8191 193.0742 461.3012 192.2510 461.7833 187.7468 462.2654 181.0867 462.7475 175.3895 463.2296 172.2017 463.7118 169.8938 464.1939 167.9918 464.6760 166.4712 465.1581 164.1127 465.6402 159.9158 466.1223 154.9456 466.6045 150.0604 467.0866 144.2513 467.5687 140.2407 468.0508 139.3302 468.5329 140.0242 469.0150 139.2316 469.4972 135.9637 469.9793 132.8119 470.4614 130.8942 470.9435 130.3510 471.4256 128.0601 471.9077 123.3652 472.3899 118.2569 472.8720 114.5224 473.3541 112.2153 473.8362 110.2481 474.3183 108.5460 474.8004 106.9561 475.2826 104.9541 475.7647 102.6027 476.2468 100.8170 476.7289 100.2739 477.2110 100.5764 477.6931 101.0829 478.1753 101.7802 478.6574 102.0941 479.1395 100.8423 479.6216 99.10065 480.1037 98.57819 480.5858 100.2955 481.0680 102.2394 481.5501 102.3611 482.0322 101.7202 482.5143 102.5321 482.9964 107.4209 483.4786 112.4555 483.9607 116.1340 484.4428 118.3368 484.9249 118.7997 485.4070 115.9219 485.8892 112.2518 486.3713 109.5990 486.8534 109.0270 487.3355 108.0481 487.8176 107.0905 488.2997 105.5318 488.7819 101.7648 489.2640 94.74915 489.7461 87.79193 490.2282 81.92413 490.7103 77.04962 491.1924 72.59222 491.6746 68.62109 492.1567 64.63776 492.6388 60.23505 493.1209 55.39368 493.6030 50.44958 494.0851 45.24731 494.5673 40.28986 495.0494 36.45483 495.5315 33.53754 496.0136 30.94965 496.4957 28.35327 496.9778 25.95740 497.4600 24.09662 497.9421 22.71191 498.4242 21.13733 498.9063 18.96198 499.3884 16.42145 499.8705 13.59045 500.3527 10.26019 500.8348 7.262207 501.3169 4.995239 501.7990 3.267151 502.2811 1.794922 502.7632 0.2833860 503.2454 0.6729130 503.7275 0.5392460 504.2096 0.5224000 504.6917 0.6395870 505.1738 0.7866210 505.6559 2.327148 506.1381 3.183533 506.6202 3.139893 507.1023 3.322815 507.5844 3.883911 508.0665 4.386780 508.5486 3.989563 509.0308 2.659363 509.5129 1.979126 509.9950 2.647278 510.4771 3.937256 510.9592 4.241943 511.4413 3.645264 511.9235 2.908081 512.4056 2.235718 512.8877 1.841797 513.3698 2.156494 513.8519 3.252319 514.3340 4.484558 514.8162 5.564880 515.2983 6.443726 515.7804 7.061279 516.2625 7.408386 516.7446 7.467102 517.2267 7.150574 517.7089 6.524902 518.1910 5.762329 518.6731 4.245850 519.1552 3.191650 519.6373 3.335510 520.1194 4.861389 520.6016 5.531982 521.0837 4.919739 521.5658 3.932861 522.0479 3.300964 522.5300 3.314331 523.0121 2.522888 523.4943 0.4392090 523.9764 1.959045 524.4585 2.502625 524.9406 1.123230 525.4227 0.6339110 525.9048 2.597351 526.3870 5.872498 526.8691 7.387756 527.3513 7.270447 527.8334 7.320801 528.3155 9.511597 528.7976 12.44568 529.2797 13.95465 529.7618 13.61169 530.2440 12.92218 530.7261 12.05054 531.2082 11.74219 531.6903 12.96320 532.1724 18.17542 532.6545 22.69183 533.1367 24.24817 533.6188 23.76770 534.1009 24.63654 534.5830 29.07434 535.0651 33.26093 535.5472 35.68311 536.0294 35.98505 536.5115 37.31671 536.9936 40.11206 537.4757 43.33667 537.9578 46.03851 538.4399 48.07880 538.9221 50.62885 539.4042 53.87555 539.8863 57.61548 540.3684 61.42041 540.8505 65.32947 541.3326 69.85791 541.8148 75.70062 542.2969 81.97650 542.7790 86.80133 543.2611 90.38843 543.7432 94.58679 544.2253 101.9484 544.7075 109.8681 545.1896 115.4272 545.6717 117.8889 546.1538 119.9460 546.6359 122.6644 547.1180 125.7814 547.6002 128.9846 548.0823 132.8179 548.5644 136.0269 549.0465 138.0587 549.5286 139.2992 550.0107 140.8430 550.4929 142.6904 550.9750 144.8398 551.4571 147.3618 551.9392 150.2663 552.4213 153.0561 552.9034 155.7443 553.3856 158.3136 553.8677 161.1918 554.3498 164.2232 554.8319 165.2327 555.3140 163.6861 555.7961 161.2667 556.2783 159.9916 556.7604 159.6205 557.2425 159.5094 557.7246 159.5444 558.2067 159.6200 558.6888 159.7253 559.1710 159.8127 559.6531 159.7008 560.1352 158.8534 560.6173 158.1429 561.0994 158.2834 561.5815 159.5146 562.0637 160.2241 562.5458 160.7610 563.0279 160.1313 563.5100 157.5504 563.9921 151.5254 564.4742 146.3533 564.9564 142.7307 565.4385 139.4823 565.9206 134.5720 566.4027 127.8312 566.8848 120.7171 567.3669 113.2565 567.8491 105.7963 568.3312 100.2119 568.8133 96.51691 569.2954 92.99146 569.7775 88.87347 570.2596 84.08112 570.7418 77.96960 571.2239 70.34326 571.7060 63.59198 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