#\#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
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