#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:23 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1229 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000641.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_1000641
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 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            R070654.rod
_rod_data_source.block           3500000
_rod_database.code               1000641
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
118.2109 0.0000000E+00
118.6931 81.36475
119.1752 79.88965
119.6573 18.18359
120.1394 9.204590
120.6215 5.509277
121.1036 18.93018
121.5858 59.65479
122.0679 115.8945
122.5500 149.1821
123.0321 141.3081
123.5142 132.8892
123.9963 143.8462
124.4785 172.8628
124.9606 203.6475
125.4427 218.4033
125.9248 212.5918
126.4069 227.2407
126.8890 273.1445
127.3712 335.2363
127.8533 398.2715
128.3354 459.9639
128.8175 522.1421
129.2996 590.8198
129.7817 665.8481
130.2639 734.3564
130.7460 785.3413
131.2281 824.1104
131.7102 871.7417
132.1923 934.7178
132.6744 1008.453
133.1566 1092.413
133.6387 1189.368
134.1208 1276.963
134.6029 1334.983
135.0850 1361.684
135.5671 1369.285
136.0493 1327.393
136.5314 1284.635
137.0135 1283.331
137.4956 1341.341
137.9777 1429.021
138.4598 1482.439
138.9420 1481.750
139.4241 1478.220
139.9062 1480.704
140.3883 1487.508
140.8704 1494.281
141.3525 1496.685
141.8347 1497.479
142.3168 1525.216
142.7989 1599.137
143.2810 1682.696
143.7631 1777.832
144.2452 1877.289
144.7274 1968.325
145.2095 2040.505
145.6916 2090.625
146.1737 2138.877
146.6558 2189.869
147.1379 2235.811
147.6201 2271.819
148.1022 2297.562
148.5843 2317.419
149.0664 2336.716
149.5485 2357.370
150.0307 2368.197
150.5128 2356.712
150.9949 2340.383
151.4770 2340.393
151.9591 2363.721
152.4412 2395.855
152.9234 2414.151
153.4055 2419.606
153.8876 2418.467
154.3697 2404.221
154.8518 2383.946
155.3339 2379.806
155.8161 2408.732
156.2982 2445.169
156.7803 2447.772
157.2624 2406.229
157.7445 2368.531
158.2266 2379.374
158.7088 2438.626
159.1909 2485.516
159.6730 2490.773
160.1551 2480.966
160.6372 2473.294
161.1193 2475.188
161.6015 2477.967
162.0836 2449.749
162.5657 2382.863
163.0478 2318.580
163.5299 2286.944
164.0120 2253.827
164.4942 2190.483
164.9763 2088.451
165.4584 1967.866
165.9405 1857.458
166.4226 1750.773
166.9047 1661.761
167.3869 1598.698
167.8690 1552.265
168.3511 1508.978
168.8332 1458.417
169.3153 1401.814
169.7974 1363.258
170.2796 1360.769
170.7617 1360.556
171.2438 1355.999
171.7259 1346.825
172.2080 1334.541
172.6901 1319.359
173.1723 1299.162
173.6544 1290.826
174.1365 1304.030
174.6186 1318.215
175.1007 1331.656
175.5828 1339.836
176.0650 1328.548
176.5471 1280.871
177.0292 1179.450
177.5113 1094.299
177.9934 1051.577
178.4755 1009.285
178.9577 922.0093
179.4398 781.6851
179.9219 628.4287
180.4040 521.3740
180.8861 472.7202
181.3682 429.8076
181.8504 385.9878
182.3325 344.9175
182.8146 311.6284
183.2967 287.9634
183.7788 271.3418
184.2609 260.4272
184.7431 257.4199
185.2252 249.3662
185.7073 224.6240
186.1894 190.6948
186.6715 167.1299
187.1536 160.6294
187.6358 168.3076
188.1179 185.3306
188.6000 214.5986
189.0821 242.3472
189.5642 262.0762
190.0463 273.6538
190.5285 274.3794
191.0106 255.2329
191.4927 229.6357
191.9748 213.2275
192.4569 209.4038
192.9390 209.9336
193.4212 207.8730
193.9033 203.2197
194.3854 195.6416
194.8675 186.8159
195.3496 173.7925
195.8317 150.1660
196.3139 110.3096
196.7960 69.62158
197.2781 57.02539
197.7602 87.53125
198.2423 104.5107
198.7244 81.00049
199.2066 40.12939
199.6887 2.886230
200.1708 22.52832
200.6529 39.06299
201.1350 54.91162
201.6171 75.24512
202.0993 85.12939
202.5814 74.33008
203.0635 54.74219
203.5456 41.49268
204.0277 44.01758
204.5098 57.65088
204.9920 59.90137
205.4741 37.63086
205.9562 19.08740
206.4383 8.148926
206.9204 4.950684
207.4025 10.97266
207.8847 29.15918
208.3668 57.34082
208.8489 68.85303
209.3310 50.72119
209.8131 27.62939
210.2952 7.302246
210.7774 43.32080
211.2595 59.26855
211.7416 35.75586
212.2237 28.47461
212.7058 61.07129
213.1879 46.71191
213.6701 19.63232
214.1522 20.05420
214.6343 64.73291
215.1164 99.15723
215.5985 109.0732
216.0806 91.52637
216.5628 82.63867
217.0449 83.57275
217.5270 89.99121
218.0091 104.7217
218.4912 124.9062
218.9733 140.1289
219.4555 139.0151
219.9376 117.6216
220.4197 113.3350
220.9018 143.6108
221.3839 175.3042
221.8660 186.0293
222.3482 175.2705
222.8303 158.7075
223.3124 148.8511
223.7945 146.3672
224.2766 156.9902
224.7587 175.9688
225.2409 210.5776
225.7230 281.3052
226.2051 388.1216
226.6872 485.4404
227.1693 527.0444
227.6514 506.7388
228.1336 472.1582
228.6157 405.2637
229.0978 336.4985
229.5799 297.6909
230.0620 294.2993
230.5441 305.6768
231.0263 313.3232
231.5084 317.3379
231.9905 321.8074
232.4726 322.7864
232.9547 326.4075
233.4368 346.8115
233.9190 389.9849
234.4011 427.2947
234.8832 412.8977
235.3653 355.8757
235.8474 325.2878
236.3295 359.9392
236.8117 425.9023
237.2938 471.9377
237.7759 489.8022
238.2580 492.1702
238.7401 484.5557
239.2222 469.4072
239.7044 458.4260
240.1865 447.1379
240.6686 443.9780
241.1507 473.9551
241.6328 554.9590
242.1149 633.0737
242.5971 653.6440
243.0792 628.3083
243.5613 599.0732
244.0434 575.8945
244.5255 561.3396
245.0076 563.0256
245.4898 586.0120
245.9719 617.5811
246.4540 652.5066
246.9361 688.7280
247.4182 716.6184
247.9003 720.2458
248.3825 710.9170
248.8646 726.3735
249.3467 782.3264
249.8288 841.7710
250.3109 878.2610
250.7930 896.3765
251.2752 910.2854
251.7573 928.0459
252.2394 947.7656
252.7215 960.8740
253.2036 958.7375
253.6857 963.0601
254.1679 990.1641
254.6500 1034.526
255.1321 1080.030
255.6142 1117.256
256.0963 1147.428
256.5785 1178.290
257.0606 1214.903
257.5427 1244.468
258.0248 1257.690
258.5069 1258.655
258.9890 1257.336
259.4712 1258.156
259.9533 1261.065
260.4354 1266.011
260.9175 1276.560
261.3996 1284.509
261.8817 1288.607
262.3639 1286.972
262.8460 1276.009
263.3281 1242.359
263.8102 1194.619
264.2923 1183.045
264.7744 1232.818
265.2566 1282.842
265.7387 1303.174
266.2208 1303.302
266.7029 1303.256
267.1850 1316.657
267.6671 1338.625
268.1493 1345.972
268.6314 1319.537
269.1135 1304.568
269.5956 1310.423
270.0777 1339.359
270.5598 1399.312
271.0420 1512.324
271.5241 1657.588
272.0062 1747.173
272.4883 1763.042
272.9704 1744.637
273.4525 1688.809
273.9347 1619.281
274.4168 1569.017
274.8989 1553.676
275.3810 1567.276
275.8631 1587.396
276.3452 1613.344
276.8274 1650.758
277.3095 1711.928
277.7916 1779.504
278.2737 1829.625
278.7558 1847.843
279.2379 1844.934
279.7201 1851.853
280.2022 1878.465
280.6843 1895.721
281.1664 1897.010
281.6485 1886.780
282.1306 1866.806
282.6128 1835.816
283.0949 1796.776
283.5770 1759.112
284.0591 1728.182
284.5412 1689.382
285.0233 1632.343
285.5055 1568.220
285.9876 1508.425
286.4697 1458.462
286.9518 1413.413
287.4339 1363.889
287.9160 1306.344
288.3982 1250.816
288.8803 1200.637
289.3624 1151.918
289.8445 1101.037
290.3266 1046.882
290.8087 992.0771
291.2909 937.6873
291.7730 877.9595
292.2551 838.0518
292.7372 842.0195
293.2193 855.3301
293.7014 856.8201
294.1836 840.9404
294.6657 809.9961
295.1478 759.2312
295.6299 679.3516
296.1120 623.3960
296.5941 622.2183
297.0763 634.5774
297.5584 640.2312
298.0405 634.9246
298.5226 621.2415
299.0047 600.0667
299.4868 570.6687
299.9690 543.3730
300.4511 521.1191
300.9332 499.9973
301.4153 477.8862
301.8974 455.7771
302.3795 434.6125
302.8617 416.7866
303.3438 403.0203
303.8259 389.0757
304.3080 377.2129
304.7901 363.2542
305.2722 336.7156
305.7544 302.5845
306.2365 279.6985
306.7186 295.6357
307.2007 344.6768
307.6828 357.8967
308.1649 310.7737
308.6471 255.8154
309.1292 216.8887
309.6113 192.1321
310.0934 175.7817
310.5755 168.9077
311.0576 168.0811
311.5398 157.9927
312.0219 130.2275
312.5040 108.7581
312.9861 110.3777
313.4682 125.0017
313.9503 135.4236
314.4325 133.9924
314.9146 123.2583
315.3967 106.1782
315.8788 78.17065
316.3609 56.43701
316.8430 50.34888
317.3252 54.58472
317.8073 65.47607
318.2894 86.91431
318.7715 107.2363
319.2536 104.9353
319.7357 74.96069
320.2179 51.37305
320.7000 55.48340
321.1821 70.69922
321.6642 82.00269
322.1463 88.08838
322.6284 85.66919
323.1106 63.59839
323.5927 21.48315
324.0748 4.193604
324.5569 10.09448
325.0390 38.09912
325.5211 51.87305
326.0033 49.01294
326.4854 35.73828
326.9675 4.356445
327.4496 38.79102
327.9317 55.05786
328.4138 24.70020
328.8960 23.64380
329.3781 63.75098
329.8602 96.53101
330.3423 108.5862
330.8244 72.66406
331.3065 11.73096
331.7887 11.19678
332.2708 26.23926
332.7529 73.72754
333.2350 74.38403
333.7171 36.37500
334.1992 2.353516
334.6814 12.70410
335.1635 17.47925
335.6456 23.99048
336.1277 33.68140
336.6098 42.18237
337.0919 43.58862
337.5741 39.81641
338.0562 42.16235
338.5383 67.13428
339.0204 88.11597
339.5025 74.13257
339.9846 27.36670
340.4668 14.19214
340.9489 24.81885
341.4310 9.905273
341.9131 2.116699
342.3952 10.18457
342.8773 16.60742
343.3595 11.01953
343.8416 3.632813
344.3237 19.39038
344.8058 33.80811
345.2879 45.26343
345.7701 47.67261
346.2522 36.30420
346.7343 25.63086
347.2164 18.78882
347.6985 15.02417
348.1806 13.49463
348.6628 14.03540
349.1449 15.73047
349.6270 17.06909
350.1091 18.43359
350.5912 18.57056
351.0733 18.27686
351.5555 16.24536
352.0376 8.707031
352.5197 4.114746
353.0018 14.72705
353.4839 13.65991
353.9660 3.253906
354.4482 16.70654
354.9303 31.32056
355.4124 39.20923
355.8945 31.33179
356.3766 11.03052
356.8587 9.903320
357.3409 22.82324
357.8230 27.82861
358.3051 18.97363
358.7872 28.15601
359.2693 62.42139
359.7514 58.10449
360.2336 31.99194
360.7157 15.54419
361.1978 27.91553
361.6799 60.14673
362.1620 74.74341
362.6441 57.78906
363.1263 40.99316
363.6084 26.28052
364.0905 14.59229
364.5726 7.756836
365.0547 6.267334
365.5368 6.725830
366.0190 1.736084
366.5011 14.24219
366.9832 20.83398
367.4653 3.649414
367.9474 13.39307
368.4295 15.13965
368.9117 0.1423340
369.3938 23.67188
369.8759 48.76831
370.3580 75.92505
370.8401 98.30737
371.3222 114.9568
371.8044 127.4675
372.2865 132.6882
372.7686 133.7844
373.2507 139.1238
373.7328 152.6575
374.2149 174.2830
374.6971 208.0059
375.1792 265.7532
375.6613 311.5085
376.1434 312.7727
376.6255 294.5801
377.1076 294.1572
377.5898 329.1306
378.0719 378.5884
378.5540 415.9050
379.0361 440.3132
379.5182 466.7820
380.0003 499.0254
380.4825 537.8726
380.9646 583.7520
381.4467 636.6951
381.9288 692.0845
382.4109 749.2007
382.8930 808.7490
383.3752 869.9009
383.8573 930.8462
384.3394 994.2351
384.8215 1064.861
385.3036 1141.676
385.7857 1216.377
386.2679 1277.883
386.7500 1344.932
387.2321 1441.370
387.7142 1569.807
388.1963 1706.746
388.6784 1828.596
389.1606 1933.344
389.6427 2058.006
390.1248 2210.399
390.6069 2381.173
391.0890 2570.927
391.5711 2774.503
392.0533 2977.378
392.5354 3170.939
393.0175 3360.182
393.4996 3566.764
393.9817 3790.572
394.4638 4030.469
394.9460 4299.500
395.4281 4580.633
395.9102 4842.519
396.3923 5075.481
396.8744 5302.703
397.3565 5571.327
397.8387 5915.034
398.3208 6235.536
398.8029 6482.459
399.2850 6741.432
399.7671 7081.261
400.2492 7497.220
400.7314 7927.466
401.2135 8311.959
401.6956 8645.880
402.1777 9011.910
402.6598 9447.541
403.1419 9876.770
403.6241 10308.62
404.1062 10716.75
404.5883 11064.44
405.0704 11333.74
405.5525 11522.59
406.0346 11619.31
406.5168 11610.94
406.9989 11541.01
407.4810 11418.60
407.9631 11244.22
408.4452 11006.10
408.9273 10699.04
409.4095 10356.82
409.8916 10003.29
410.3737 9640.537
410.8558 9290.156
411.3379 8967.869
411.8200 8646.200
412.3022 8289.637
412.7843 7902.949
413.2664 7546.259
413.7485 7244.485
414.2306 6988.646
414.7127 6769.651
415.1949 6589.014
415.6770 6419.312
416.1591 6242.487
416.6412 6058.675
417.1233 5876.751
417.6054 5693.651
418.0876 5520.114
418.5697 5357.343
419.0518 5206.166
419.5339 5071.130
420.0160 4955.758
420.4981 4858.647
420.9803 4772.299
421.4624 4695.190
421.9445 4630.245
422.4266 4586.292
422.9087 4549.762
423.3908 4500.321
423.8730 4437.001
424.3551 4384.502
424.8372 4371.893
425.3193 4407.568
425.8014 4441.866
426.2835 4469.710
426.7657 4501.664
427.2478 4548.846
427.7299 4603.160
428.2120 4647.717
428.6941 4671.221
429.1762 4678.539
429.6584 4691.133
430.1405 4728.045
430.6226 4735.917
431.1047 4696.620
431.5868 4633.394
432.0689 4565.561
432.5511 4497.891
433.0332 4428.952
433.5153 4355.143
433.9974 4276.274
434.4795 4201.142
434.9616 4140.885
435.4438 4072.553
435.9259 3977.462
436.4080 3860.766
436.8901 3745.716
437.3722 3644.838
437.8543 3552.940
438.3365 3456.413
438.8186 3352.775
439.3007 3263.002
439.7828 3206.890
440.2649 3172.374
440.7470 3127.298
441.2292 3061.965
441.7113 2997.392
442.1934 2942.576
442.6755 2897.555
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1272.881 0.0000000E+00
