#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:04:18 +0300 (Thu, 26 Apr 2018) $
#$Revision: 645 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000179.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_1000179
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        R100215
_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            R100215.rod
_rod_data_source.block           3500000
_rod_database.code               1000179
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
174.4937 0.0000000E+00
174.9758 2.202820
175.4579 3.990540
175.9401 4.652100
176.4222 4.416382
176.9043 5.786560
177.3864 7.444824
177.8685 8.630676
178.3506 9.137573
178.8328 11.32959
179.3149 14.05444
179.7970 15.79218
180.2791 17.32153
180.7612 16.84424
181.2433 14.23242
181.7255 10.28412
182.2076 6.233337
182.6897 1.300110
183.1718 1.828979
183.6539 2.061646
184.1360 0.8095090
184.6181 0.5190430
185.1003 1.232910
185.5824 1.627075
186.0645 2.774536
186.5466 5.591797
187.0287 8.097046
187.5108 9.877991
187.9930 11.23511
188.4751 12.53149
188.9572 13.96155
189.4393 15.52252
189.9214 17.22583
190.4035 19.17584
190.8857 21.15051
191.3678 23.02966
191.8499 24.90894
192.3320 26.97137
192.8141 29.34094
193.2962 31.97876
193.7784 34.61475
194.2605 37.25739
194.7426 39.88763
195.2247 42.71851
195.7068 45.57416
196.1889 47.94861
196.6711 49.44891
197.1532 50.22076
197.6353 51.19476
198.1174 51.46893
198.5995 52.71021
199.0816 56.84302
199.5638 63.36548
200.0459 68.71222
200.5280 70.17102
201.0101 69.07495
201.4922 69.72095
201.9743 73.86761
202.4565 78.18933
202.9386 79.64307
203.4207 78.02051
203.9028 75.88861
204.3849 74.33569
204.8670 73.10263
205.3492 71.94965
205.8313 70.72513
206.3134 69.69089
206.7955 69.57816
207.2776 70.80182
207.7597 70.99985
208.2419 67.44571
208.7240 62.90579
209.2061 60.26535
209.6882 60.84772
210.1703 62.87863
210.6524 63.54877
211.1346 62.96530
211.6167 60.58987
212.0988 55.06256
212.5809 48.40326
213.0630 42.22549
213.5451 37.10068
214.0273 33.21613
214.5094 31.34882
214.9915 33.23380
215.4736 33.99063
215.9557 32.46112
216.4378 29.64664
216.9200 26.26447
217.4021 22.61682
217.8842 19.02927
218.3663 16.49146
218.8484 15.75983
219.3305 15.06906
219.8127 14.10840
220.2948 13.11438
220.7769 12.42197
221.2590 12.18045
221.7411 12.14832
222.2232 11.60925
222.7054 10.11810
223.1875 8.596375
223.6696 6.594696
224.1517 4.754211
224.6338 3.891510
225.1159 4.370667
225.5980 5.825317
226.0802 7.211090
226.5623 9.032410
227.0444 10.15109
227.5265 10.12885
228.0086 9.454407
228.4907 8.794159
228.9729 8.443420
229.4550 8.136169
229.9371 7.110596
230.4192 4.071686
230.9013 2.339264
231.3834 3.376740
231.8656 5.832367
232.3477 7.756653
232.8298 8.031097
233.3119 7.636566
233.7940 8.951263
234.2761 12.82285
234.7583 15.91974
235.2404 16.85590
235.7225 16.56818
236.2046 16.68768
236.6867 17.77078
237.1688 19.33658
237.6510 20.75620
238.1331 22.20422
238.6152 22.92288
239.0973 22.25095
239.5794 20.67615
240.0615 19.05829
240.5437 17.30414
241.0258 16.05621
241.5079 16.62949
241.9900 19.03564
242.4721 21.83185
242.9542 25.04541
243.4364 28.15601
243.9185 29.54715
244.4006 28.13089
244.8827 26.33707
245.3648 26.83649
245.8469 29.32098
246.3290 31.78503
246.8112 33.01779
247.2933 33.45630
247.7754 34.50281
248.2575 36.56573
248.7396 38.86960
249.2217 40.55707
249.7039 41.87964
250.1860 43.74506
250.6681 47.37173
251.1502 52.05499
251.6323 55.03107
252.1144 55.24170
252.5966 55.23392
253.0787 56.90201
253.5608 59.56207
254.0429 61.57495
254.5250 61.36417
255.0071 59.73032
255.4893 59.72287
255.9714 62.01785
256.4535 65.03394
256.9356 68.59576
257.4177 72.20935
257.8998 74.98068
258.3820 76.08627
258.8641 76.12115
259.3462 77.13568
259.8283 79.25156
260.3104 82.36517
260.7925 87.56451
261.2747 93.44684
261.7568 97.72238
262.2389 98.77463
262.7210 97.97864
263.2031 98.90826
263.6852 103.6213
264.1674 106.5089
264.6495 105.3354
265.1316 102.4105
265.6137 100.1846
266.0958 99.73700
266.5779 100.2477
267.0601 99.85986
267.5422 98.43765
268.0243 96.81473
268.5064 94.79614
268.9885 93.03247
269.4706 91.97122
269.9528 91.63980
270.4349 91.77026
270.9170 91.76538
271.3991 90.91791
271.8812 91.30115
272.3633 93.63062
272.8455 96.54352
273.3276 98.88586
273.8097 100.4357
274.2918 101.9730
274.7739 104.9404
275.2560 110.3915
275.7382 114.5854
276.2202 116.6422
276.7024 118.2057
277.1845 120.3297
277.6666 123.1826
278.1487 126.3136
278.6308 129.3275
279.1129 132.7137
279.5951 134.1050
280.0772 132.0317
280.5593 129.5588
281.0414 128.5378
281.5235 128.8022
282.0056 128.8871
282.4878 127.3752
282.9699 124.0322
283.4520 120.4950
283.9341 116.3494
284.4162 112.4477
284.8983 109.5518
285.3805 107.2278
285.8626 104.2380
286.3447 99.48990
286.8268 93.11911
287.3089 88.48187
287.7910 86.95151
288.2732 85.47314
288.7553 83.25031
289.2374 80.35556
289.7195 77.07446
290.2016 73.61780
290.6837 70.12589
291.1659 66.66727
291.6480 62.15134
292.1301 58.98737
292.6122 58.41171
293.0943 59.21170
293.5764 59.83124
294.0586 59.56812
294.5407 58.56244
295.0228 57.18390
295.5049 55.32208
295.9870 53.18204
296.4691 50.30463
296.9513 47.35379
297.4334 45.15375
297.9155 43.96228
298.3976 43.22485
298.8797 42.07864
299.3618 40.84628
299.8440 38.37515
300.3261 33.10788
300.8082 27.62180
301.2903 23.89224
301.7724 22.32599
302.2545 22.18604
302.7367 22.79736
303.2188 24.63580
303.7009 25.46725
304.1830 24.45786
304.6651 22.91409
305.1472 21.71509
305.6294 21.02188
306.1115 20.64566
306.5936 20.45395
307.0757 20.34460
307.5578 20.02454
308.0399 20.12726
308.5221 19.58554
309.0042 17.52237
309.4863 14.35916
309.9684 11.09705
310.4505 8.253571
310.9326 5.978760
311.4148 5.534851
311.8969 8.877869
312.3790 11.50098
312.8611 12.15015
313.3432 11.39804
313.8253 10.08191
314.3075 8.533569
314.7896 6.945374
315.2717 5.815277
315.7538 5.489777
316.2359 5.124237
316.7180 5.079773
317.2001 4.778290
317.6823 2.892792
318.1644 0.8636170
318.6465 4.290497
319.1286 3.896179
319.6107 2.795105
320.0928 7.552826
320.5750 10.14841
321.0571 11.06421
321.5392 10.07892
322.0213 7.460602
322.5034 4.410370
322.9855 1.953491
323.4677 4.2938001E-02
323.9498 2.0781999E-02
324.4319 5.045044
324.9140 9.130493
325.3961 8.511169
325.8782 4.221680
326.3604 6.3446000E-02
326.8425 1.744202
327.3246 1.087677
327.8067 1.161438
328.2888 2.857422
328.7709 4.161438
329.2531 4.491577
329.7352 4.097565
330.2173 3.185425
330.6994 1.794708
331.1815 0.4056090
331.6636 0.3372190
332.1458 3.794586
332.6279 5.853912
333.1100 5.793304
333.5921 4.549927
334.0742 2.639679
334.5563 0.3305360
335.0385 1.707977
335.5206 2.422058
336.0027 1.116821
336.4848 0.1914980
336.9669 0.2817380
337.4490 0.4924930
337.9312 0.4307560
338.4133 0.1812440
338.8954 5.0960002E-03
339.3775 0.1721800
339.8596 0.7296450
340.3417 1.042511
340.8239 0.8672490
341.3060 0.7370300
341.7881 1.005157
342.2702 1.457947
342.7523 1.526733
343.2344 0.7928470
343.7166 0.4237670
344.1987 0.5517880
344.6808 1.923248
345.1629 3.815155
345.6450 5.072327
346.1271 5.500977
346.6093 4.664734
347.0914 2.461029
347.5735 0.4459840
348.0556 2.762268
348.5377 4.161194
349.0198 5.543579
349.5020 7.079254
349.9841 8.487518
350.4662 9.278809
350.9483 9.576782
351.4304 10.18771
351.9125 12.09808
352.3947 15.58792
352.8768 18.48355
353.3589 20.68018
353.8410 22.39117
354.3231 24.17130
354.8052 25.50345
355.2874 25.24817
355.7695 22.46185
356.2516 17.61652
356.7337 13.30710
357.2158 9.417877
357.6979 6.332458
358.1800 4.386902
358.6621 3.093994
359.1443 2.073578
359.6264 1.184052
360.1085 0.1826780
360.5906 1.710236
361.0727 5.585388
361.5548 7.403351
362.0370 4.407440
362.5191 1.161896
363.0012 0.9411620
363.4833 3.746185
363.9654 6.840515
364.4475 7.256012
364.9297 4.790375
365.4118 3.067932
365.8939 2.796631
366.3760 2.531891
366.8581 1.514984
367.3402 9.4054997E-02
367.8224 0.9831850
368.3045 1.234436
368.7866 0.8508910
369.2687 0.3401790
369.7508 0.5528560
370.2329 0.7716980
370.7151 0.7512510
371.1972 2.706146
371.6793 3.723022
372.1614 3.321625
372.6435 2.506592
373.1256 2.375183
373.6078 2.947235
374.0899 4.165924
374.5720 6.703583
375.0541 9.305511
375.5362 10.88248
376.0183 11.36905
376.5005 11.63748
376.9826 12.52640
377.4647 14.27240
377.9468 16.02295
378.4289 17.31705
378.9110 19.25345
379.3932 23.58331
379.8753 28.97885
380.3574 32.71729
380.8395 32.57266
381.3216 31.60236
381.8037 34.10873
382.2859 40.37149
382.7680 46.36737
383.2501 49.84482
383.7322 52.36826
384.2143 56.34537
384.6964 62.07419
385.1786 68.81171
385.6607 76.30505
386.1428 84.22729
386.6249 92.14941
387.1070 100.0879
387.5891 107.8414
388.0713 114.5655
388.5534 120.4226
389.0355 128.2029
389.5176 139.7164
389.9997 152.2833
390.4818 163.4644
390.9640 173.3557
391.4461 183.3946
391.9282 194.5847
392.4103 206.7776
392.8924 218.8857
393.3745 230.7217
393.8567 242.4527
394.3388 254.0020
394.8209 265.5323
395.3030 276.8521
395.7851 287.8745
396.2672 299.5731
396.7494 313.8302
397.2315 331.0493
397.7136 349.9577
398.1957 370.9073
398.6778 393.4838
399.1599 417.6094
399.6420 443.1202
400.1241 469.5840
400.6063 496.6674
401.0884 524.5389
401.5705 552.6562
402.0526 582.7062
402.5347 610.9318
403.0168 636.7158
403.4990 659.9398
403.9811 680.5320
404.4632 698.4621
404.9453 713.5399
405.4274 725.0594
405.9095 733.3573
406.3917 736.4670
406.8738 735.4462
407.3559 729.1390
407.8380 715.1958
408.3201 694.3102
408.8022 670.6166
409.2844 647.7521
409.7665 625.8650
410.2486 603.8137
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411.2128 558.6132
411.6949 537.5051
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412.6592 498.0566
413.1413 479.1560
413.6234 461.0444
414.1055 444.3768
414.5876 429.0668
415.0698 415.2661
415.5519 404.0443
416.0340 393.7254
416.5161 383.2827
416.9982 372.5315
417.4803 362.0316
417.9625 351.8144
418.4446 342.0400
418.9267 333.5791
419.4088 326.5988
419.8909 321.2937
420.3730 318.5398
420.8552 317.1764
421.3373 315.0135
421.8194 311.2028
422.3015 306.4332
422.7836 300.5881
423.2657 293.6707
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424.2300 289.2264
424.7121 292.0221
425.1942 294.7305
425.6763 297.3672
426.1584 299.7441
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427.6048 304.8876
428.0869 306.5576
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429.0511 311.7656
429.5333 315.9341
430.0154 317.9001
430.4975 316.4608
430.9796 313.9379
431.4617 311.4941
431.9438 309.0099
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432.9081 302.1292
433.3902 297.7311
433.8723 293.4039
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446.8894 228.0070
447.3716 231.2057
447.8537 237.8778
448.3358 244.6863
448.8179 250.3836
449.3000 255.3696
449.7821 259.8985
450.2643 263.9171
450.7464 267.9760
451.2285 272.3245
451.7106 277.0530
452.1927 282.6333
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453.1570 296.5171
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454.6033 315.8867
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456.5318 355.3428
457.0139 366.1783
457.4960 380.4591
457.9781 397.3825
458.4602 415.2506
458.9424 434.4323
459.4245 453.9781
459.9066 473.6920
460.3887 493.4496
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461.3529 535.3022
461.8351 555.0029
462.3172 571.7682
462.7993 585.6220
463.2814 591.7675
463.7635 590.1476
464.2456 581.0098
464.7278 561.7250
465.2099 536.1297
465.6920 508.8495
466.1741 481.5634
466.6562 453.7682
467.1383 424.0171
467.6205 390.1628
468.1026 359.8415
468.5847 334.2309
469.0668 311.6752
469.5489 292.5038
470.0310 275.9787
470.5132 260.6114
470.9953 245.2350
471.4774 230.7275
471.9595 219.7445
472.4416 213.1203
472.9237 206.9623
473.4059 199.6573
473.8880 192.4350
474.3701 186.4109
474.8522 181.7556
475.3343 177.8654
475.8164 174.5458
476.2986 171.7221
476.7807 169.1309
477.2628 166.7244
477.7449 164.7109
478.2270 163.1778
478.7091 162.2047
479.1913 161.9733
479.6734 163.1372
480.1555 164.3273
480.6376 164.5417
481.1197 164.3009
481.6018 164.9471
482.0839 166.9843
482.5660 169.1883
483.0482 169.9014
483.5303 168.8649
484.0124 166.9164
484.4945 164.0722
484.9766 160.3770
485.4587 155.6593
485.9409 150.0893
486.4230 143.9370
486.9051 137.2874
487.3872 130.3966
487.8693 124.1788
488.3514 119.4904
488.8336 113.7214
489.3157 105.7222
489.7978 97.52927
490.2799 90.59045
490.7620 84.87350
491.2441 79.45709
491.7263 73.68381
492.2084 67.61884
492.6905 61.45993
493.1726 54.93356
493.6547 49.01587
494.1368 44.65738
494.6190 40.89404
495.1011 36.49625
495.5832 31.07462
496.0653 26.47607
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1284.808 0.0000000E+00
