#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:58:22 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1022 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000477.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_1000477
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        '4 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            R070654.rod
_rod_data_source.block           3500000
_rod_database.code               1000477
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
134.4421 0.0000000E+00
134.9242 22.48340
135.4063 17.22363
135.8884 3.331055
136.3705 23.20898
136.8526 101.1885
137.3348 146.8633
137.8169 149.5215
138.2990 119.3945
138.7811 95.64258
139.2632 83.39453
139.7453 74.81348
140.2275 60.63184
140.7096 35.09570
141.1917 23.38477
141.6738 26.28125
142.1559 43.36963
142.6380 94.56738
143.1201 200.0498
143.6023 321.3535
144.0844 410.8174
144.5665 452.1743
145.0486 488.6455
145.5307 535.5293
146.0128 607.0933
146.4950 649.7271
146.9771 647.7695
147.4592 618.6738
147.9413 603.5303
148.4234 604.2959
148.9055 615.2021
149.3877 634.5205
149.8698 698.2432
150.3519 727.0737
150.8340 702.8018
151.3161 634.1851
151.7982 581.7031
152.2804 543.7466
152.7625 521.2461
153.2446 515.0278
153.7267 552.4072
154.2088 580.1851
154.6909 585.9424
155.1731 568.0415
155.6552 549.5073
156.1373 524.5840
156.6194 503.7969
157.1015 498.7407
157.5836 521.7085
158.0658 562.4072
158.5479 605.1313
159.0300 657.9771
159.5121 714.7788
159.9942 706.9209
160.4763 658.9888
160.9585 633.9390
161.4406 677.7241
161.9227 729.8579
162.4048 744.0527
162.8869 686.3799
163.3690 627.0630
163.8512 610.5874
164.3333 627.0874
164.8154 627.5151
165.2975 574.8657
165.7796 504.0981
166.2617 446.6152
166.7439 418.1016
167.2260 397.6143
167.7081 369.4648
168.1902 333.9888
168.6723 300.2817
169.1544 262.3691
169.6366 228.0508
170.1187 210.4775
170.6008 227.8276
171.0829 255.3086
171.5650 276.4673
172.0471 290.7368
172.5293 302.7178
173.0114 318.9985
173.4935 336.3545
173.9756 348.2153
174.4577 353.8701
174.9398 352.4990
175.4220 339.4932
175.9041 308.5142
176.3862 277.4429
176.8683 270.5898
177.3504 283.0923
177.8326 288.0757
178.3147 261.4077
178.7968 213.2656
179.2789 166.2046
179.7610 126.0029
180.2431 90.45752
180.7253 49.43262
181.2074 3.632324
181.6895 30.15234
182.1716 22.09570
182.6537 15.32617
183.1358 33.73633
183.6179 4.680664
184.1001 73.81006
184.5822 97.65332
185.0643 71.40234
185.5464 29.33203
186.0285 11.39795
186.5106 15.46045
186.9928 22.70166
187.4749 24.89893
187.9570 22.90527
188.4391 22.00830
188.9212 23.84229
189.4033 24.12598
189.8855 14.15283
190.3676 5.898926
190.8497 26.79004
191.3318 46.96777
191.8139 65.13965
192.2960 72.98389
192.7782 55.31396
193.2603 25.08984
193.7424 13.33691
194.2245 21.48389
194.7066 42.53955
195.1887 84.44238
195.6709 147.8140
196.1530 175.8125
196.6351 144.0166
197.1172 69.77441
197.5993 34.42041
198.0814 45.38232
198.5636 70.11670
199.0457 75.27930
199.5278 58.93652
200.0099 41.36670
200.4920 27.45654
200.9741 17.19873
201.4563 8.104980
201.9384 1.116699
202.4205 7.007324
202.9026 3.765137
203.3847 9.970703
203.8668 25.75195
204.3490 43.37158
204.8311 64.05127
205.3132 67.91992
205.7953 45.14893
206.2774 15.93750
206.7595 25.17773
207.2417 86.34082
207.7238 144.4741
208.2059 170.7485
208.6880 157.0776
209.1701 147.9219
209.6522 146.3960
210.1344 149.5830
210.6165 146.9033
211.0986 133.3574
211.5807 125.3330
212.0628 137.6060
212.5449 181.0767
213.0271 207.1650
213.5092 206.5596
213.9913 184.4253
214.4734 168.5210
214.9555 154.6992
215.4376 154.0327
215.9198 182.0532
216.4019 258.8438
216.8840 309.6372
217.3661 315.4590
217.8482 278.2793
218.3303 252.1733
218.8125 237.2119
219.2946 233.1074
219.7767 242.8862
220.2588 276.5259
220.7409 300.5532
221.2230 302.3604
221.7052 278.6460
222.1873 271.8467
222.6694 289.4873
223.1515 317.3887
223.6336 336.2573
224.1157 342.1284
224.5978 346.7651
225.0800 353.2124
225.5621 361.3457
226.0442 372.6084
226.5263 392.6953
227.0084 412.6328
227.4905 413.2573
227.9727 376.3184
228.4548 350.7676
228.9369 360.1641
229.4190 426.0957
229.9011 463.8232
230.3832 457.3887
230.8654 427.1128
231.3475 425.4922
231.8296 470.9478
232.3117 518.1841
232.7938 544.9238
233.2759 534.4307
233.7581 539.8271
234.2402 570.6641
234.7223 618.6611
235.2044 650.8740
235.6865 663.2739
236.1686 665.2363
236.6508 660.6743
237.1329 644.3955
237.6150 631.7583
238.0971 620.3389
238.5792 612.1899
239.0613 624.4653
239.5435 675.2373
240.0256 725.2568
240.5077 744.5967
240.9898 709.8530
241.4719 682.9868
241.9540 669.9521
242.4362 672.6108
242.9183 676.6382
243.4004 681.7827
243.8825 689.0884
244.3646 700.1167
244.8467 719.4067
245.3289 733.4678
245.8110 737.9009
246.2931 732.2407
246.7752 734.7583
247.2573 747.9526
247.7394 767.6782
248.2216 789.2988
248.7037 809.8667
249.1858 836.3213
249.6679 874.0376
250.1500 925.3779
250.6321 959.4028
251.1143 966.0083
251.5964 963.6846
252.0785 976.2051
252.5606 1014.185
253.0427 1047.392
253.5248 1065.684
254.0070 1065.175
254.4891 1074.233
254.9712 1097.597
255.4533 1125.785
255.9354 1143.835
256.4175 1143.726
256.8997 1150.025
257.3818 1174.602
257.8639 1225.626
258.3460 1254.451
258.8281 1254.587
259.3102 1238.281
259.7924 1224.634
260.2745 1212.302
260.7566 1206.833
261.2387 1211.025
261.7208 1224.084
262.2029 1239.528
262.6851 1257.908
263.1672 1279.109
263.6493 1303.523
264.1314 1334.384
264.6135 1361.833
265.0956 1383.493
265.5778 1398.931
266.0599 1400.150
266.5420 1379.273
267.0241 1349.151
267.5062 1339.338
267.9883 1355.057
268.4705 1376.840
268.9526 1396.080
269.4347 1412.555
269.9168 1426.698
270.3989 1437.387
270.8810 1447.106
271.3632 1462.876
271.8453 1486.910
272.3274 1507.875
272.8095 1518.042
273.2916 1515.681
273.7737 1519.816
274.2559 1529.915
274.7380 1546.420
275.2201 1578.266
275.7022 1630.478
276.1843 1679.839
276.6664 1708.887
277.1486 1715.593
277.6307 1730.411
278.1128 1757.871
278.5949 1792.946
279.0770 1824.846
279.5591 1854.810
280.0413 1875.602
280.5234 1877.635
281.0055 1858.641
281.4876 1852.368
281.9697 1871.596
282.4518 1898.912
282.9340 1883.138
283.4161 1820.156
283.8982 1750.418
284.3803 1704.523
284.8624 1679.849
285.3445 1645.167
285.8266 1593.781
286.3087 1533.979
286.7909 1483.873
287.2730 1443.407
287.7551 1407.210
288.2372 1377.438
288.7193 1352.633
289.2014 1313.479
289.6836 1251.334
290.1657 1177.647
290.6478 1115.475
291.1299 1064.418
291.6120 1021.856
292.0941 985.5083
292.5763 956.7134
293.0584 939.9766
293.5405 940.5986
294.0226 946.3003
294.5047 930.2642
294.9868 893.3579
295.4690 850.5078
295.9511 811.3623
296.4332 774.2983
296.9153 736.3145
297.3974 695.3306
297.8795 655.7837
298.3617 622.3789
298.8438 594.6108
299.3259 572.4692
299.8080 557.4126
300.2901 547.3154
300.7722 538.6499
301.2544 534.0259
301.7365 526.9185
302.2186 505.2642
302.7007 470.1772
303.1828 432.4253
303.6649 395.9375
304.1471 363.6816
304.6292 339.3423
305.1113 323.2837
305.5934 314.0796
306.0755 311.1880
306.5576 313.7827
307.0398 319.9795
307.5219 347.2754
308.0040 371.2505
308.4861 359.6382
308.9682 282.0137
309.4503 202.2778
309.9325 169.9058
310.4146 175.3364
310.8967 183.4961
311.3788 177.6177
311.8609 164.6284
312.3430 150.3550
312.8252 135.9385
313.3073 120.9561
313.7894 100.8916
314.2715 78.97754
314.7536 66.45410
315.2357 77.31836
315.7179 93.96924
316.2000 104.6729
316.6821 109.1807
317.1642 103.8228
317.6463 75.01172
318.1284 33.05518
318.6106 8.247070
319.0927 24.48730
319.5748 51.10938
320.0569 71.76514
320.5390 86.15723
321.0211 90.66504
321.5033 73.02100
321.9854 43.90967
322.4675 30.87158
322.9496 61.35986
323.4317 92.18652
323.9138 102.8267
324.3960 73.60840
324.8781 54.20605
325.3602 58.03174
325.8423 75.18701
326.3244 81.84814
326.8065 67.93701
327.2887 50.38770
327.7708 34.37842
328.2529 17.70508
328.7350 6.307129
329.2171 3.607910
329.6992 5.406250
330.1814 2.757324
330.6635 12.19434
331.1456 22.26367
331.6277 20.50537
332.1098 1.150391
332.5919 14.76953
333.0741 28.58447
333.5562 38.62061
334.0383 40.00781
334.5204 24.46826
335.0025 17.07520
335.4846 32.65625
335.9668 80.82422
336.4489 95.47803
336.9310 63.24756
337.4131 12.28027
337.8952 13.33789
338.3773 7.499512
338.8595 0.3208010
339.3416 2.8809000E-02
339.8237 8.625488
340.3058 16.99561
340.7879 26.54443
341.2701 32.84180
341.7522 26.99072
342.2343 8.021484
342.7164 6.611328
343.1985 9.260742
343.6806 2.405273
344.1628 0.8330080
344.6449 6.208008
345.1270 9.708008
345.6091 2.253418
346.0912 27.27051
346.5733 46.53955
347.0555 53.20215
347.5376 50.55322
348.0197 44.84473
348.5018 35.96289
348.9839 29.00635
349.4660 37.62500
349.9482 53.24316
350.4303 48.97461
350.9124 1.029785
351.3945 59.29541
351.8766 68.74463
352.3587 32.51758
352.8409 10.36279
353.3230 32.42627
353.8051 41.59863
354.2872 49.37891
354.7693 60.21387
355.2514 68.66260
355.7336 70.48486
356.2157 65.77051
356.6978 55.47705
357.1799 27.77734
357.6620 0.2041020
358.1441 8.672852
358.6263 18.11279
359.1084 42.76855
359.5905 37.21582
360.0726 12.16895
360.5547 1.335938
361.0368 22.01367
361.5190 52.85547
362.0011 73.90527
362.4832 82.31934
362.9653 81.12939
363.4474 63.86621
363.9295 37.92236
364.4117 18.35645
364.8938 17.01465
365.3759 15.63770
365.8580 6.226074
366.3401 15.65967
366.8222 35.80273
367.3044 57.53027
367.7865 75.86670
368.2686 82.99170
368.7507 58.19482
369.2328 44.36914
369.7149 56.37451
370.1970 103.2363
370.6791 132.6890
371.1613 132.0088
371.6434 123.3208
372.1255 135.3091
372.6076 187.6641
373.0897 220.6396
373.5718 210.9561
374.0540 159.5566
374.5361 141.6943
375.0182 167.8511
375.5003 209.3848
375.9824 238.9468
376.4645 253.1880
376.9467 273.7446
377.4288 307.8325
377.9109 349.9761
378.3930 380.9209
378.8751 398.5425
379.3572 414.9507
379.8394 435.6064
380.3215 461.3350
380.8036 501.5044
381.2857 559.3242
381.7678 629.3027
382.2499 713.2422
382.7321 808.5630
383.2142 888.6782
383.6963 916.2075
384.1784 914.7725
384.6605 943.9014
385.1426 1014.666
385.6248 1105.065
386.1069 1192.047
386.5890 1276.652
387.0711 1364.658
387.5532 1449.208
388.0353 1542.193
388.5175 1664.371
388.9996 1823.594
389.4817 1980.355
389.9638 2098.327
390.4459 2199.235
390.9280 2316.076
391.4102 2484.954
391.8923 2655.438
392.3744 2789.111
392.8565 2880.999
393.3386 2998.923
393.8207 3188.772
394.3029 3409.834
394.7850 3622.320
395.2671 3800.432
395.7492 3982.952
396.2313 4181.397
396.7134 4395.240
397.1956 4613.608
397.6777 4801.536
398.1598 5011.794
398.6419 5276.717
399.1240 5643.619
399.6061 6005.991
400.0883 6351.431
400.5704 6688.539
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402.4988 8263.208
402.9810 8593.377
403.4631 8956.940
403.9452 9380.636
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404.9094 10148.19
405.3915 10387.36
405.8737 10544.48
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406.8379 10603.50
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408.2842 10318.91
408.7664 10091.61
409.2485 9781.125
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410.6948 8718.524
411.1769 8377.203
411.6591 8062.233
412.1412 7763.813
412.6233 7470.676
413.1054 7191.301
413.5875 6939.845
414.0696 6726.965
414.5518 6540.017
415.0339 6364.996
415.5160 6205.102
415.9981 6068.386
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416.9623 5940.181
417.4445 5816.527
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419.3729 5000.585
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421.7835 4442.056
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422.7477 4235.569
423.2299 4147.560
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425.1583 4125.800
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426.6047 4118.181
427.0868 4110.652
427.5689 4124.773
428.0510 4168.347
428.5331 4212.314
429.0153 4256.724
429.4974 4297.854
429.9795 4328.569
430.4616 4350.297
430.9437 4353.979
431.4258 4327.812
431.9080 4272.061
432.3901 4223.878
432.8722 4188.980
433.3543 4152.125
433.8364 4086.964
434.3185 3996.866
434.8007 3903.836
435.2828 3824.448
435.7649 3749.164
436.2470 3655.092
436.7291 3542.691
437.2112 3423.226
437.6934 3298.632
438.1755 3175.293
438.6576 3064.508
439.1397 2974.055
439.6218 2893.361
440.1039 2809.751
440.5861 2726.013
441.0682 2659.117
441.5503 2628.093
442.0324 2610.140
442.5145 2587.189
442.9966 2551.431
443.4788 2518.293
443.9609 2493.462
444.4430 2474.240
444.9251 2455.395
445.4072 2429.128
445.8893 2409.237
446.3715 2402.741
446.8536 2415.822
447.3357 2422.937
447.8178 2418.284
448.2999 2411.462
448.7820 2413.391
449.2642 2428.885
449.7463 2442.758
450.2284 2448.546
450.7105 2448.062
451.1926 2460.670
451.6747 2491.957
452.1568 2523.565
452.6389 2542.323
453.1211 2547.984
453.6032 2551.457
454.0853 2551.481
454.5674 2552.387
455.0495 2568.617
455.5316 2598.406
456.0138 2615.944
456.4959 2600.323
456.9780 2563.798
457.4601 2532.756
457.9422 2510.086
458.4243 2484.255
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1292.968 0.0000000E+00
