#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:55:48 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1016 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000472.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_1000472
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        '3 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            R050109.rod
_rod_data_source.block           3500000
_rod_database.code               1000472
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
128.4501 0.0000000E+00
128.9322 5.011230
129.4144 15.12695
129.8965 53.92871
130.3786 101.2837
130.8607 184.3628
131.3428 308.5015
131.8249 421.7007
132.3071 474.0957
132.7892 479.3452
133.2713 514.4814
133.7534 601.9614
134.2355 715.4468
134.7176 785.7588
135.1998 810.8926
135.6819 810.6177
136.1640 795.6460
136.6461 765.2012
137.1282 739.6938
137.6103 726.3940
138.0925 724.2910
138.5746 718.4199
139.0567 710.6973
139.5388 695.4653
140.0209 657.1401
140.5030 582.3794
140.9852 525.7300
141.4673 512.9370
141.9494 559.4341
142.4315 590.4604
142.9136 595.2124
143.3957 588.2705
143.8779 614.3335
144.3600 692.2529
144.8421 773.2681
145.3242 827.2783
145.8063 834.2891
146.2884 852.5210
146.7705 893.1074
147.2527 954.7705
147.7348 1004.121
148.2169 1040.909
148.6990 1065.025
149.1811 1076.080
149.6632 1062.267
150.1454 1048.562
150.6275 1039.778
151.1096 1037.323
151.5917 1033.918
152.0738 1022.059
152.5559 1010.404
153.0381 1012.390
153.5202 1039.207
154.0023 1070.559
154.4844 1099.778
154.9665 1123.320
155.4486 1150.125
155.9308 1190.514
156.4129 1237.402
156.8950 1268.032
157.3771 1274.958
157.8592 1275.632
158.3413 1274.675
158.8235 1253.290
159.3056 1240.641
159.7877 1255.575
160.2698 1296.549
160.7519 1316.018
161.2340 1278.773
161.7162 1217.227
162.1983 1166.806
162.6804 1161.903
163.1625 1166.030
163.6446 1164.680
164.1267 1166.223
164.6089 1157.746
165.0910 1124.016
165.5731 1074.361
166.0552 1020.547
166.5373 963.8770
167.0194 908.3428
167.5016 851.8994
167.9837 794.6262
168.4658 745.4824
168.9479 709.0999
169.4300 684.5076
169.9121 669.8936
170.3943 674.5493
170.8764 686.4553
171.3585 692.0908
171.8406 682.3350
172.3227 670.9424
172.8048 671.3647
173.2870 682.4629
173.7691 693.6223
174.2512 693.1196
174.7333 688.5645
175.2154 692.2722
175.6975 728.3660
176.1797 765.9211
176.6618 765.3333
177.1439 724.9248
177.6260 671.1887
178.1081 629.9802
178.5902 594.3528
179.0724 546.5317
179.5545 462.1848
180.0366 363.1279
180.5187 290.0911
181.0008 248.8381
181.4829 217.8889
181.9651 166.6536
182.4472 99.40649
182.9293 41.68555
183.4114 9.770020
183.8935 1.222412
184.3756 3.633545
184.8578 4.635986
185.3399 14.98096
185.8220 12.09790
186.3041 2.395264
186.7862 18.82544
187.2683 31.00830
187.7504 39.09399
188.2326 44.02539
188.7147 45.99878
189.1968 44.71387
189.6789 38.99609
190.1610 28.71265
190.6431 15.40283
191.1253 5.361084
191.6074 31.95581
192.0895 44.11719
192.5716 27.78369
193.0537 9.345215
193.5358 32.16113
194.0180 39.28052
194.5001 36.08691
194.9822 25.49634
195.4643 7.081299
195.9464 6.895508
196.4285 9.421387
196.9107 1.292236
197.3928 3.974609
197.8749 4.149170
198.3570 4.740723
198.8391 19.24805
199.3212 50.35132
199.8034 76.70483
200.2855 85.06226
200.7676 74.10889
201.2497 64.73389
201.7318 58.80078
202.2139 55.19531
202.6961 50.70312
203.1782 45.08105
203.6603 39.81641
204.1424 37.23560
204.6245 38.48511
205.1066 34.72900
205.5888 23.93335
206.0709 7.307861
206.5530 9.943359
207.0351 28.80786
207.5172 46.18921
207.9993 58.25122
208.4815 63.19141
208.9636 70.71289
209.4457 82.53540
209.9278 98.64917
210.4099 119.6086
210.8920 148.4336
211.3742 177.4080
211.8563 197.5930
212.3384 206.6780
212.8205 213.6489
213.3026 218.6941
213.7847 220.7668
214.2669 234.4399
214.7490 265.1887
215.2311 301.8408
215.7132 326.8657
216.1953 336.8450
216.6774 342.8213
217.1596 347.1492
217.6417 347.9487
218.1238 355.8184
218.6059 373.1055
219.0880 396.0686
219.5701 417.7019
220.0523 439.0498
220.5344 457.3250
221.0165 470.0842
221.4986 473.3921
221.9807 482.2527
222.4628 498.8384
222.9450 520.7686
223.4271 540.1084
223.9092 553.9990
224.3913 569.4890
224.8734 592.3540
225.3555 630.4238
225.8377 656.3984
226.3198 663.9663
226.8019 656.7666
227.2840 656.9962
227.7661 667.7576
228.2482 682.0417
228.7303 695.1023
229.2125 706.5570
229.6946 717.4707
230.1767 727.3718
230.6588 736.4637
231.1409 748.0363
231.6230 764.0375
232.1052 780.4570
232.5873 792.2443
233.0694 791.8040
233.5515 802.0231
234.0336 832.6395
234.5157 885.7491
234.9979 919.5258
235.4800 924.8823
235.9621 919.1553
236.4442 921.5439
236.9263 935.7429
237.4084 951.5530
237.8906 966.9080
238.3727 981.6089
238.8548 997.6094
239.3369 1018.896
239.8190 1038.685
240.3011 1045.182
240.7833 1023.725
241.2654 1013.009
241.7475 1028.054
242.2296 1079.646
242.7117 1115.058
243.1938 1126.337
243.6760 1125.189
244.1581 1132.381
244.6402 1151.499
245.1223 1171.774
245.6044 1190.066
246.0865 1207.569
246.5687 1220.066
247.0508 1223.516
247.5329 1223.920
248.0150 1234.673
248.4971 1259.666
248.9792 1290.174
249.4614 1322.023
249.9435 1358.121
250.4256 1387.423
250.9077 1404.634
251.3898 1414.503
251.8719 1432.867
252.3541 1466.806
252.8362 1500.980
253.3183 1527.682
253.8004 1543.078
254.2825 1559.622
254.7646 1579.569
255.2468 1600.545
255.7289 1611.647
256.2110 1605.818
256.6931 1600.246
257.1752 1606.777
257.6573 1636.284
258.1395 1651.565
258.6216 1646.292
259.1037 1625.053
259.5858 1612.037
260.0679 1608.999
260.5500 1610.688
261.0322 1614.425
261.5143 1621.793
261.9964 1626.806
262.4785 1629.731
262.9606 1630.017
263.4427 1620.741
263.9249 1594.454
264.4070 1571.290
264.8891 1568.938
265.3712 1595.872
265.8533 1617.466
266.3354 1628.914
266.8176 1630.416
267.2997 1623.743
267.7818 1602.662
268.2639 1585.687
268.7460 1592.623
269.2281 1631.188
269.7103 1662.007
270.1924 1676.203
270.6745 1676.065
271.1566 1679.670
271.6387 1687.840
272.1208 1696.381
272.6030 1698.565
273.0851 1690.347
273.5672 1696.264
274.0493 1725.760
274.5314 1776.376
275.0135 1819.866
275.4957 1854.945
275.9778 1887.304
276.4599 1921.021
276.9420 1954.804
277.4241 1988.098
277.9063 2019.391
278.3884 2050.525
278.8705 2090.372
279.3526 2140.204
279.8347 2194.480
280.3168 2250.102
280.7990 2308.244
281.2811 2358.988
281.7632 2390.416
282.2453 2408.941
282.7274 2473.491
283.2095 2599.992
283.6917 2714.868
284.1738 2717.186
284.6559 2605.603
285.1380 2499.715
285.6201 2443.728
286.1022 2428.479
286.5844 2396.760
287.0665 2344.836
287.5486 2284.150
288.0307 2228.987
288.5128 2181.023
288.9949 2133.681
289.4771 2088.999
289.9591 2045.061
290.4413 1988.211
290.9234 1914.509
291.4055 1841.280
291.8876 1789.201
292.3697 1755.025
292.8518 1724.813
293.3340 1692.311
293.8161 1658.050
294.2982 1623.962
294.7803 1590.488
295.2624 1552.111
295.7445 1495.805
296.2267 1426.814
296.7088 1366.904
297.1909 1330.350
297.6730 1305.906
298.1551 1268.455
298.6372 1216.788
299.1194 1166.787
299.6015 1140.220
300.0836 1129.465
300.5657 1113.110
301.0478 1079.201
301.5299 1035.397
302.0121 993.8572
302.4942 954.6608
302.9763 913.1273
303.4584 857.8496
303.9405 796.5271
304.4226 744.5547
304.9048 714.1553
305.3869 694.0631
305.8690 675.8510
306.3511 659.3633
306.8332 635.9504
307.3153 591.2400
307.7975 535.2198
308.2796 485.7592
308.7617 452.6475
309.2438 426.9601
309.7259 400.6473
310.2080 373.1144
310.6902 350.4567
311.1723 344.3657
311.6544 343.8029
312.1365 333.8687
312.6186 298.5702
313.1007 259.7457
313.5829 231.3914
314.0650 214.2180
314.5471 200.8733
315.0292 191.0396
315.5113 181.7891
315.9934 169.7295
316.4756 148.9658
316.9577 129.1365
317.4398 115.8060
317.9219 109.0597
318.4040 101.5603
318.8861 87.95386
319.3683 73.32080
319.8504 62.49390
320.3325 57.04858
320.8146 55.34753
321.2967 59.87463
321.7788 70.35693
322.2610 75.37390
322.7431 65.56274
323.2252 52.62463
323.7073 45.88123
324.1894 57.48621
324.6715 64.41150
325.1537 58.42285
325.6358 39.96484
326.1179 28.18677
326.6000 32.24475
327.0821 39.27954
327.5642 40.49536
328.0464 25.31116
328.5285 15.57080
329.0106 16.19727
329.4927 26.22131
329.9748 32.36694
330.4569 34.77966
330.9391 33.29773
331.4212 27.63599
331.9033 15.99939
332.3854 2.823364
332.8675 15.08984
333.3496 35.56189
333.8318 43.35571
334.3139 30.92432
334.7960 15.32837
335.2781 7.093018
335.7602 9.389038
336.2423 11.12280
336.7245 10.35352
337.2066 8.562134
337.6887 11.99658
338.1708 22.72278
338.6529 34.17493
339.1350 43.59387
339.6172 51.57104
340.0993 53.56714
340.5814 47.49304
341.0635 36.58228
341.5456 27.36633
342.0277 19.06360
342.5099 16.40454
342.9920 27.40527
343.4741 52.13745
343.9562 60.12744
344.4383 44.76514
344.9204 20.01672
345.4026 16.83032
345.8847 44.68726
346.3668 29.63538
346.8489 21.10376
347.3310 18.73865
347.8131 40.91833
348.2953 31.47729
348.7774 34.75684
349.2595 38.58936
349.7416 24.79236
350.2237 43.57056
350.7058 30.11597
351.1880 28.15735
351.6701 16.93115
352.1522 2.205078
352.6343 8.280762
353.1164 0.4904790
353.5985 18.68152
354.0807 31.27759
354.5628 22.73926
355.0449 6.904297
355.5270 6.2866002E-02
356.0091 3.009033
356.4912 7.665161
356.9734 8.990723
357.4555 7.893677
357.9376 5.832153
358.4197 0.8792720
358.9018 2.988281
359.3839 1.490234
359.8661 5.226074
360.3482 9.936157
360.8303 8.364746
361.3124 3.145264
361.7945 3.085205
362.2766 15.70166
362.7588 23.12378
363.2409 15.52148
363.7230 4.756592
364.2051 16.37671
364.6872 6.004395
365.1693 11.33362
365.6515 25.25952
366.1336 31.54370
366.6157 36.64343
367.0978 39.56396
367.5799 41.37146
368.0620 47.17993
368.5442 65.20374
369.0263 81.67029
369.5084 89.75244
369.9905 75.58191
370.4726 72.23840
370.9547 84.66150
371.4369 107.6794
371.9190 127.0359
372.4011 138.5999
372.8832 151.6755
373.3653 171.1251
373.8474 202.5250
374.3295 224.6891
374.8116 234.1591
375.2938 237.4116
375.7759 245.8622
376.2580 260.0636
376.7401 277.9349
377.2222 298.3193
377.7043 321.4155
378.1865 348.8044
378.6686 381.5544
379.1507 417.4485
379.6328 452.5771
380.1149 486.5436
380.5970 527.3450
381.0792 583.4324
381.5613 649.0349
382.0434 695.0270
382.5255 717.3972
383.0076 741.9121
383.4897 798.1772
383.9719 879.7302
384.4540 959.9983
384.9361 1026.975
385.4182 1090.626
385.9003 1158.453
386.3824 1232.562
386.8646 1329.594
387.3467 1493.733
387.8288 1684.570
388.3109 1826.084
388.7930 1881.168
389.2751 1912.312
389.7573 1964.667
390.2394 2038.469
390.7215 2134.213
391.2036 2265.683
391.6857 2414.023
392.1678 2564.056
392.6500 2712.599
393.1321 2862.570
393.6142 3016.976
394.0963 3171.484
394.5784 3320.831
395.0605 3453.920
395.5427 3587.386
396.0248 3729.900
396.5069 3882.195
396.9890 4040.685
397.4711 4197.551
397.9532 4362.165
398.4354 4548.842
398.9175 4783.462
399.3996 5016.369
399.8817 5231.355
400.3638 5424.591
400.8459 5634.836
401.3281 5876.604
401.8102 6125.554
402.2923 6360.021
402.7744 6582.557
403.2565 6789.492
403.7386 6978.908
404.2208 7153.379
404.7029 7310.508
405.1850 7447.312
405.6671 7570.973
406.1492 7698.306
406.6313 7841.307
407.1135 7913.556
407.5956 7900.356
408.0777 7819.154
408.5598 7711.096
409.0419 7575.780
409.5240 7420.426
410.0062 7246.891
410.4883 7055.055
410.9704 6853.235
411.4525 6637.144
411.9346 6421.693
412.4167 6223.994
412.8989 6045.077
413.3810 5880.028
413.8631 5732.950
414.3452 5598.019
414.8273 5462.017
415.3094 5323.827
415.7916 5198.091
416.2737 5104.964
416.7558 5029.699
417.2379 4946.983
417.7200 4834.148
418.2021 4723.982
418.6843 4643.914
419.1664 4590.015
419.6485 4532.257
420.1306 4447.386
420.6127 4357.940
421.0948 4282.783
421.5770 4229.768
422.0591 4184.312
422.5412 4142.203
423.0233 4104.049
423.5054 4071.330
423.9875 4044.291
424.4697 4022.210
424.9518 4004.091
425.4339 3988.340
425.9160 3980.121
426.3981 3978.238
426.8802 3984.072
427.3624 4000.306
427.8445 4034.340
428.3266 4067.580
428.8087 4096.612
429.2908 4121.488
429.7729 4139.497
430.2551 4148.125
430.7372 4154.026
431.2193 4166.354
431.7014 4188.402
432.1835 4196.501
432.6656 4184.681
433.1478 4157.032
433.6299 4123.225
434.1120 4083.012
434.5941 4044.276
435.0762 4014.477
435.5583 3991.204
436.0405 3963.585
436.5226 3930.298
437.0047 3891.874
437.4868 3852.902
437.9689 3810.749
438.4510 3756.321
438.9332 3670.920
439.4153 3577.140
439.8974 3504.445
440.3795 3455.795
440.8616 3411.242
441.3438 3356.410
441.8259 3297.134
442.3080 3240.466
442.7901 3188.999
443.2722 3140.977
443.7543 3094.168
444.2365 3048.965
444.7186 3009.555
445.2007 2976.813
445.6828 2951.672
446.1649 2934.257
446.6470 2942.261
447.1292 2933.968
447.6113 2896.037
448.0934 2839.778
448.5755 2795.174
449.0576 2773.447
449.5397 2750.075
450.0219 2715.427
450.5040 2664.887
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