#\#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
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