#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:37:46 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1195 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000609.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_1000609
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        '2 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 helium-neon
_raman_measurement_device.excitation_laser_wavelength 780
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 12
_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               1000609
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
132.3306 0.0000000E+00
132.8127 0.1047360
133.2948 3.336426
133.7769 16.54272
134.2590 33.79102
134.7412 29.17358
135.2233 9.853271
135.7054 8.997314
136.1875 4.958740
136.6696 31.58154
137.1517 70.97266
137.6339 120.6345
138.1160 169.5981
138.5981 198.9163
139.0802 198.2175
139.5623 185.9365
140.0444 203.1929
140.5266 254.9944
141.0087 314.3574
141.4908 371.1465
141.9729 426.4131
142.4550 485.5261
142.9371 551.5339
143.4193 622.8718
143.9014 696.2849
144.3835 775.5149
144.8656 852.2681
145.3477 918.3105
145.8299 973.0254
146.3120 1020.594
146.7941 1058.424
147.2762 1091.573
147.7583 1125.891
148.2404 1165.641
148.7226 1207.017
149.2047 1240.526
149.6868 1262.982
150.1689 1282.692
150.6510 1302.881
151.1331 1323.781
151.6153 1345.490
152.0974 1367.552
152.5795 1389.947
153.0616 1416.388
153.5437 1448.102
154.0258 1483.573
154.5080 1527.312
154.9901 1576.193
155.4722 1620.758
155.9543 1649.309
156.4364 1654.364
156.9185 1667.660
157.4007 1695.238
157.8828 1724.978
158.3649 1751.376
158.8470 1772.844
159.3291 1790.142
159.8112 1804.897
160.2934 1820.425
160.7755 1825.860
161.2576 1816.359
161.7397 1798.793
162.2218 1783.812
162.7039 1775.833
163.1861 1766.716
163.6682 1733.686
164.1503 1663.119
164.6324 1586.821
165.1145 1504.690
165.5966 1428.385
166.0788 1369.383
166.5609 1324.508
167.0430 1283.808
167.5251 1242.806
168.0072 1231.993
168.4893 1228.318
168.9715 1216.240
169.4536 1215.680
169.9357 1212.206
170.4178 1209.199
170.8999 1210.988
171.3820 1211.030
171.8642 1196.799
172.3463 1187.317
172.8284 1203.528
173.3105 1247.505
173.7926 1296.969
174.2747 1349.797
174.7569 1397.459
175.2390 1420.395
175.7211 1398.332
176.2032 1349.993
176.6853 1315.448
177.1674 1306.293
177.6496 1286.485
178.1317 1235.136
178.6138 1157.925
179.0959 1064.117
179.5780 948.4380
180.0602 815.6543
180.5423 700.3210
181.0244 606.2441
181.5065 528.0969
181.9886 466.8640
182.4707 419.3225
182.9529 375.5510
183.4350 325.3145
183.9171 266.6345
184.3992 218.3586
184.8813 188.0630
185.3634 163.7612
185.8456 140.9880
186.3277 119.3401
186.8098 101.3733
187.2919 92.07495
187.7740 97.56177
188.2561 94.06128
188.7383 71.36621
189.2204 47.35669
189.7025 33.23560
190.1846 32.28271
190.6667 38.30103
191.1488 42.89282
191.6310 45.64526
192.1131 47.15869
192.5952 47.26196
193.0773 46.48535
193.5594 44.69458
194.0415 42.26270
194.5237 39.73730
195.0058 38.27954
195.4879 32.42065
195.9700 34.86133
196.4521 61.34424
196.9342 91.47583
197.4164 98.44312
197.8985 69.22144
198.3806 15.20605
198.8627 24.93750
199.3448 47.47681
199.8270 61.97998
200.3091 71.26587
200.7912 73.33838
201.2733 60.08545
201.7554 22.65527
202.2375 28.45801
202.7197 40.65161
203.2018 25.72388
203.6839 81.07837
204.1660 80.41602
204.6481 38.80591
205.1302 5.058838
205.6124 11.53601
206.0945 48.85352
206.5766 62.28662
207.0587 35.37805
207.5408 1.155640
208.0229 23.59180
208.5051 39.05298
208.9872 49.10437
209.4693 52.36536
209.9514 52.25623
210.4335 62.21375
210.9156 95.71045
211.3978 130.9618
211.8799 145.5483
212.3620 138.1460
212.8441 131.3278
213.3262 141.1699
213.8083 164.0275
214.2905 190.2325
214.7726 224.3752
215.2547 258.3140
215.7368 280.6495
216.2189 289.6292
216.7010 294.1627
217.1832 299.0408
217.6653 304.1202
218.1474 309.1906
218.6295 314.0985
219.1116 318.9692
219.5937 322.7361
220.0759 322.8448
220.5580 328.3097
221.0401 350.6174
221.5222 382.4253
222.0043 408.5886
222.4864 417.8722
222.9686 415.7615
223.4507 420.1536
223.9328 436.1375
224.4149 450.1263
224.8970 449.6337
225.3791 441.0408
225.8613 439.2246
226.3434 459.5449
226.8255 496.8601
227.3076 520.0052
227.7897 520.1187
228.2719 516.4508
228.7540 517.5620
229.2361 522.8726
229.7182 530.2119
230.2003 538.4718
230.6824 547.6176
231.1646 557.2661
231.6467 569.1479
232.1288 579.5134
232.6109 584.4081
233.0930 585.9448
233.5751 590.1246
234.0573 602.9216
234.5394 624.6575
235.0215 644.5753
235.5036 663.7445
235.9857 679.7371
236.4678 689.2308
236.9500 694.0133
237.4321 699.5972
237.9142 712.2820
238.3963 733.4626
238.8784 748.5845
239.3605 744.0739
239.8427 744.9247
240.3248 766.5967
240.8069 804.5043
241.2890 840.2559
241.7711 853.7764
242.2532 839.3345
242.7354 837.2526
243.2175 860.8488
243.6996 885.2161
244.1817 897.9836
244.6638 900.6624
245.1459 903.7820
245.6281 919.1587
246.1102 950.4949
246.5923 975.4441
247.0744 985.2600
247.5565 996.4401
248.0386 1018.993
248.5208 1051.515
249.0029 1084.407
249.4850 1106.795
249.9671 1114.740
250.4492 1129.099
250.9313 1152.017
251.4135 1178.545
251.8956 1209.598
252.3777 1242.936
252.8598 1273.533
253.3419 1295.542
253.8240 1307.674
254.3062 1317.155
254.7883 1323.089
255.2704 1327.145
255.7525 1329.687
256.2346 1330.389
256.7167 1328.316
257.1989 1325.275
257.6810 1323.026
258.1631 1315.220
258.6452 1299.899
259.1273 1283.514
259.6094 1271.191
260.0916 1262.416
260.5737 1251.208
261.0558 1229.092
261.5379 1190.520
262.0200 1167.913
262.5021 1174.275
262.9843 1185.829
263.4664 1187.415
263.9485 1177.137
264.4306 1164.576
264.9127 1161.096
265.3948 1170.014
265.8770 1172.147
266.3591 1160.163
266.8412 1147.869
267.3233 1142.965
267.8054 1145.430
268.2875 1150.834
268.7697 1154.999
269.2518 1156.085
269.7339 1159.429
270.2160 1162.132
270.6981 1168.220
271.1802 1185.871
271.6624 1212.572
272.1445 1233.615
272.6266 1233.240
273.1087 1206.399
273.5908 1195.873
274.0729 1208.147
274.5551 1227.323
275.0372 1250.591
275.5193 1274.492
276.0014 1292.854
276.4835 1299.796
276.9656 1294.269
277.4478 1296.481
277.9299 1310.813
278.4120 1326.763
278.8941 1338.663
279.3762 1347.858
279.8583 1360.094
280.3405 1380.507
280.8226 1409.464
281.3047 1425.847
281.7868 1428.710
282.2689 1423.483
282.7510 1408.172
283.2332 1386.221
283.7153 1365.119
284.1974 1350.562
284.6795 1341.822
285.1616 1320.539
285.6437 1276.970
286.1259 1234.012
286.6080 1198.731
287.0901 1168.275
287.5722 1138.065
288.0543 1105.531
288.5364 1070.663
289.0186 1031.672
289.5007 988.3922
289.9828 942.3477
290.4649 888.9827
290.9471 834.2699
291.4292 788.6562
291.9113 758.3370
292.3934 739.3675
292.8755 712.7744
293.3576 664.7995
293.8398 625.5336
294.3219 603.4968
294.8040 591.7712
295.2861 580.4495
295.7682 564.6143
296.2503 546.7615
296.7325 534.9383
297.2146 540.9945
297.6967 538.7324
298.1788 520.0529
298.6609 494.3526
299.1430 472.8574
299.6252 460.4001
300.1073 452.4863
300.5894 438.2910
301.0715 404.2771
301.5536 382.3801
302.0357 383.0276
302.5179 391.0154
303.0000 392.7114
303.4821 383.6331
303.9642 366.7137
304.4463 346.7836
304.9284 317.0410
305.4106 296.0013
305.8927 288.4394
306.3748 285.6611
306.8569 282.3779
307.3390 277.0754
307.8211 268.7631
308.3033 254.3372
308.7854 223.8451
309.2675 212.3188
309.7496 242.6354
310.2317 271.5918
310.7138 266.5870
311.1960 227.3589
311.6781 180.5876
312.1602 157.1009
312.6423 165.0463
313.1244 165.2882
313.6065 156.6334
314.0887 142.5476
314.5708 120.4043
315.0529 93.18512
315.5350 68.50946
316.0171 53.48553
316.4992 48.61310
316.9814 47.91339
317.4635 59.20111
317.9456 67.07648
318.4277 64.28534
318.9098 53.77850
319.3919 42.75342
319.8741 36.23822
320.3562 34.03534
320.8383 33.70459
321.3204 36.17780
321.8025 39.78375
322.2846 39.96289
322.7668 41.66412
323.2489 56.49646
323.7310 95.18237
324.2131 145.4523
324.6952 154.0775
325.1773 84.59784
325.6595 26.23718
326.1416 0.2509770
326.6237 6.776245
327.1058 4.653076
327.5879 2.218018
328.0700 9.600708
328.5522 6.568604
329.0343 15.19543
329.5164 28.91687
329.9985 24.29144
330.4806 13.34338
330.9627 5.765320
331.4449 4.444397
331.9270 5.569702
332.4091 2.707397
332.8912 6.297485
333.3733 10.10394
333.8554 2.865662
334.3376 7.783875
334.8197 18.58160
335.3018 28.78522
335.7839 37.40503
336.2660 44.03864
336.7481 48.79120
337.2303 48.71698
337.7124 38.92853
338.1945 28.50165
338.6766 22.37073
339.1587 20.52771
339.6408 21.08221
340.1230 25.00702
340.6051 31.01794
341.0872 31.22443
341.5693 20.85388
342.0514 11.57721
342.5335 13.06781
343.0157 21.61041
343.4978 27.30121
343.9799 22.37372
344.4620 12.11053
344.9441 9.199402
345.4262 16.48199
345.9084 21.84674
346.3905 11.60883
346.8726 5.063782
347.3547 12.75116
347.8368 1.982178
348.3189 14.36707
348.8011 21.04840
349.2832 17.86340
349.7653 15.55621
350.2474 20.80170
350.7295 29.64001
351.2116 34.23120
351.6938 32.42493
352.1759 29.39606
352.6580 28.54657
353.1401 29.38257
353.6222 30.32880
354.1043 31.87323
354.5865 31.76691
355.0686 24.14050
355.5507 5.110229
356.0328 7.369324
356.5149 0.6691890
356.9970 17.90802
357.4792 23.04156
357.9613 9.316589
358.4434 10.36682
358.9255 18.90216
359.4076 14.36340
359.8897 9.823669
360.3719 6.958252
360.8540 4.537109
361.3361 1.387024
361.8182 2.629211
362.3003 7.333618
362.7824 13.68536
363.2646 22.33325
363.7467 21.54761
364.2288 3.863892
364.7109 15.53925
365.1930 29.37671
365.6751 37.96313
366.1573 44.57465
366.6394 51.46405
367.1215 58.18738
367.6036 60.07220
368.0857 49.47601
368.5678 42.90155
369.0500 42.27380
369.5321 48.08160
370.0142 63.56873
370.4963 90.42059
370.9784 122.1926
371.4605 141.5763
371.9427 135.2010
372.4248 135.6144
372.9069 144.4794
373.3890 159.7699
373.8712 183.5901
374.3533 215.0817
374.8354 245.1016
375.3175 259.7336
375.7996 251.4142
376.2817 250.1509
376.7639 257.1661
377.2460 269.5967
377.7281 287.5387
378.2102 310.2612
378.6923 335.9321
379.1744 362.6139
379.6566 390.4802
380.1387 422.7669
380.6208 460.6464
381.1029 502.2498
381.5850 548.0826
382.0671 596.4539
382.5493 644.3860
383.0314 689.9454
383.5135 733.6682
383.9956 776.1000
384.4777 815.7968
384.9598 863.8501
385.4420 927.2385
385.9241 1000.719
386.4062 1080.579
386.8883 1165.573
387.3704 1254.337
387.8525 1348.021
388.3347 1446.658
388.8168 1546.216
389.2989 1643.167
389.7810 1742.655
390.2631 1848.650
390.7452 1961.196
391.2274 2082.204
391.7095 2217.696
392.1916 2360.285
392.6737 2497.186
393.1558 2625.837
393.6379 2748.743
394.1201 2853.402
394.6022 2943.825
395.0843 3089.098
395.5664 3363.905
396.0485 3649.905
396.5306 3839.656
397.0128 3939.042
397.4949 4027.519
397.9770 4148.515
398.4591 4303.503
398.9412 4498.459
399.4233 4756.556
399.9055 5021.320
400.3876 5272.336
400.8697 5517.742
401.3518 5775.883
401.8339 6055.359
402.3160 6345.394
402.7982 6622.582
403.2803 6894.922
403.7624 7139.168
404.2445 7357.703
404.7266 7549.384
405.2087 7721.445
405.6909 7869.949
406.1730 7973.953
406.6551 8007.709
407.1372 7965.979
407.6193 7890.854
408.1014 7782.109
408.5836 7639.161
409.0657 7443.799
409.5478 7214.396
410.0299 6989.205
410.5120 6795.070
410.9941 6620.072
411.4763 6417.511
411.9584 6170.286
412.4405 5928.949
412.9226 5695.290
413.4047 5480.388
413.8868 5300.095
414.3690 5160.637
414.8511 5042.408
415.3332 4924.577
415.8153 4807.754
416.2974 4695.856
416.7795 4590.432
417.2617 4490.109
417.7438 4395.545
418.2259 4306.367
418.7080 4215.533
419.1901 4118.772
419.6722 4018.471
420.1544 3918.606
420.6365 3818.982
421.1186 3724.036
421.6007 3635.198
422.0828 3554.640
422.5649 3488.791
423.0471 3449.525
423.5292 3416.314
424.0113 3365.825
424.4934 3305.656
424.9755 3270.129
425.4576 3280.571
425.9398 3321.070
426.4219 3344.579
426.9040 3343.960
427.3861 3340.782
427.8682 3331.653
428.3503 3325.007
428.8325 3331.106
429.3146 3352.146
429.7967 3383.188
430.2788 3420.067
430.7609 3469.928
431.2430 3498.585
431.7252 3494.014
432.2073 3484.004
432.6894 3488.031
433.1715 3498.471
433.6536 3491.598
434.1357 3447.657
434.6179 3375.849
435.1000 3325.764
435.5821 3318.982
436.0642 3301.123
436.5463 3259.933
437.0284 3203.771
437.5106 3136.158
437.9927 3057.476
438.4748 2982.344
438.9569 2934.105
439.4390 2914.813
439.9211 2888.103
440.4033 2838.206
440.8854 2789.366
441.3675 2761.120
441.8496 2751.496
442.3317 2742.927
442.8138 2727.404
443.2960 2706.720
443.7781 2683.465
444.2602 2657.611
444.7423 2630.796
445.2244 2602.141
445.7065 2573.925
446.1887 2553.486
446.6708 2550.700
447.1529 2545.319
447.6350 2524.148
448.1171 2491.646
448.5992 2457.597
449.0814 2425.339
449.5635 2395.827
450.0456 2371.173
450.5277 2353.054
451.0098 2337.697
451.4919 2328.187
451.9741 2319.484
452.4562 2309.000
452.9383 2295.537
453.4204 2276.010
453.9025 2245.144
454.3847 2202.346
454.8668 2178.547
455.3489 2200.374
455.8310 2214.849
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1280.251 0.0000000E+00
