#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:33 +0300 (Thu, 26 Apr 2018) $
#$Revision: 501 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000055.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_1000055
loop_
_publ_author_name
'Harlow, G. E.'
'Hawthorne, F. C.'
_publ_section_title
;
 Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite
 from Ehrenfriedersdorf, Germany Locality: Sauberg mine, Morgenrother Zug,
 Ehrenfriedersdorf, Germany Note: 20517 Note: Occupancies derived from
 electron-microprobe analysis
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1545
_journal_page_last               1549
_journal_paper_doi               10.2138/am.2008.2943
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        R060353
_chemical_formula_sum            'Be Ca F0.48 H0.52 O4.52 P'
_chemical_name_mineral           Hydroxylherderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.184
_cell_angle_gamma                90
_cell_length_a                   9.7615
_cell_length_b                   7.6680
_cell_length_c                   4.7853
_cell_volume                     358.184
_exptl_crystal_density_diffrn    3.005
_cod_original_formula_sum        'Ca Be P O4.52 (F.48 H.52)'
_cod_database_code               9013174
_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            R060353.rod
_rod_data_source.block           3500000
_rod_database.code               1000055
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 9013174 COD http://www.crystallography.net/cod/9013174.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.6219 0.0000000E+00
103.1040 2.1729000E-02
103.5861 1.339478
104.0682 2.957520
104.5504 3.370728
105.0325 2.022827
105.5146 0.5955810
105.9967 0.7460940
106.4788 2.809570
106.9609 4.102051
107.4431 3.914307
107.9252 3.112305
108.4073 2.838257
108.8894 3.910278
109.3715 3.364624
109.8536 2.950562
110.3358 2.914795
110.8179 3.334717
111.3000 4.579224
111.7821 6.557861
112.2642 7.734497
112.7463 7.240479
113.2285 5.772339
113.7106 3.711304
114.1927 1.069458
114.6748 6.6895001E-02
115.1569 1.847534
115.6390 6.386108
116.1212 9.401001
116.6033 8.715576
117.0854 6.619141
117.5675 4.462524
118.0496 3.411011
118.5317 3.338135
119.0139 3.427856
119.4960 4.137939
119.9781 5.088867
120.4602 6.323975
120.9423 7.713501
121.4244 9.097412
121.9066 10.41406
122.3887 11.72473
122.8708 11.93201
123.3529 10.68787
123.8350 8.952759
124.3171 6.928711
124.7993 4.732788
125.2814 2.631836
125.7635 0.8197020
126.2456 0.6885990
126.7277 1.518555
127.2098 2.057007
127.6920 1.749268
128.1741 0.8321530
128.6562 6.478882
129.1383 11.83972
129.6204 11.61707
130.1025 6.494385
130.5847 1.872437
131.0668 0.2332760
131.5489 0.8718260
132.0310 1.392944
132.5131 1.267090
132.9952 0.9202880
133.4774 0.6011960
133.9595 0.3344730
134.4416 0.4117430
134.9237 1.474365
135.4058 3.816895
135.8879 5.164185
136.3701 2.894531
136.8522 0.9201660
137.3343 1.890137
137.8164 6.414795
138.2985 12.63831
138.7806 17.46838
139.2628 20.21167
139.7449 22.68970
140.2270 25.43127
140.7091 27.90466
141.1912 29.69580
141.6733 30.60632
142.1555 30.64771
142.6376 29.83337
143.1197 27.64258
143.6018 25.06909
144.0839 21.49341
144.5660 17.65833
145.0482 14.75085
145.5303 13.53992
146.0124 13.78760
146.4945 13.70776
146.9766 12.85608
147.4587 12.17432
147.9409 12.32104
148.4230 13.10254
148.9051 13.54065
149.3872 12.65833
149.8693 10.84106
150.3514 10.25464
150.8336 12.35986
151.3157 14.84106
151.7978 15.11975
152.2799 12.78882
152.7620 10.88867
153.2441 12.63635
153.7263 16.39587
154.2084 19.54419
154.6905 20.51770
155.1726 20.38013
155.6547 21.57849
156.1368 24.66675
156.6190 28.19653
157.1011 31.77332
157.5832 35.07617
158.0653 37.90283
158.5474 39.28992
159.0295 39.54187
159.5117 42.79919
159.9938 51.20532
160.4759 61.46875
160.9580 72.20288
161.4401 83.59192
161.9222 96.34790
162.4044 111.3369
162.8865 129.1143
163.3686 146.3931
163.8507 160.4946
164.3328 176.4788
164.8149 197.4357
165.2971 223.0897
165.7792 250.3794
166.2613 276.5940
166.7434 303.5930
167.2255 322.2958
167.7076 337.1727
168.1898 342.4965
168.6719 332.0345
169.1540 305.2135
169.6361 268.9778
170.1182 232.0332
170.6003 192.6694
171.0825 157.6610
171.5646 126.7518
172.0467 100.6450
172.5288 80.87598
173.0109 68.33154
173.4930 60.42517
173.9752 53.39929
174.4573 46.88196
174.9394 42.00452
175.4215 39.81372
175.9036 39.48633
176.3857 39.13416
176.8679 38.01013
177.3500 37.06091
177.8321 37.46899
178.3142 39.24500
178.7963 41.61670
179.2784 44.33911
179.7606 47.37744
180.2427 50.30859
180.7248 53.26477
181.2069 55.80774
181.6890 57.72852
182.1711 59.02417
182.6533 59.47534
183.1354 58.73596
183.6175 56.68628
184.0996 54.16260
184.5817 50.32764
185.0638 46.77747
185.5460 44.40649
186.0281 43.53918
186.5102 44.00500
186.9923 45.83374
187.4744 49.44043
187.9565 53.37695
188.4387 56.41101
188.9208 60.20874
189.4029 65.93860
189.8850 73.98022
190.3671 84.05945
190.8492 95.91626
191.3314 109.8860
191.8135 125.2778
192.2956 141.5176
192.7777 159.1620
193.2598 180.0952
193.7419 204.8031
194.2241 230.1600
194.7062 248.6180
195.1883 259.7295
195.6704 263.0498
196.1525 256.9241
196.6346 243.5061
197.1168 224.0042
197.5989 198.7168
198.0810 169.8446
198.5631 143.7151
199.0452 119.8075
199.5273 98.94788
200.0095 81.30408
200.4916 66.84326
200.9737 55.79321
201.4558 48.57629
201.9379 44.12817
202.4200 39.25708
202.9022 33.34802
203.3843 28.14990
203.8664 24.69092
204.3485 22.47571
204.8306 20.09155
205.3127 16.75159
205.7949 13.11462
206.2770 10.64661
206.7591 9.693604
207.2412 8.987549
207.7233 7.804688
208.2054 6.213989
208.6876 4.687256
209.1697 3.450439
209.6518 2.348022
210.1339 1.066406
210.6160 0.5518800
211.0981 1.912476
211.5803 2.319214
212.0624 1.768188
212.5445 1.428589
213.0266 1.766968
213.5087 2.491455
213.9908 3.532593
214.4730 4.992188
214.9551 6.110229
215.4372 5.794189
215.9193 3.771729
216.4014 1.979370
216.8836 1.341553
217.3657 0.9166260
217.8478 3.9184999E-02
218.3299 1.451904
218.8120 3.151733
219.2941 4.558228
219.7763 5.689697
220.2584 6.420044
220.7405 5.987427
221.2226 5.607422
221.7047 6.300781
222.1868 8.301880
222.6690 10.81433
223.1511 12.70972
223.6332 14.20923
224.1153 14.45581
224.5974 12.42383
225.0795 9.939941
225.5617 8.360229
226.0438 8.053101
226.5259 8.393066
227.0080 8.354492
227.4901 8.015137
227.9722 7.086914
228.4544 5.085205
228.9365 2.889771
229.4186 1.135498
229.9007 2.5024001E-02
230.3828 0.5947270
230.8649 0.9779050
231.3471 1.212891
231.8292 1.001587
232.3113 0.3543700
232.7934 0.6843260
233.2755 2.355591
233.7576 4.634399
234.2398 6.895752
234.7219 8.064697
235.2040 7.384277
235.6861 6.816162
236.1682 5.771729
236.6503 5.132690
237.1325 6.199219
237.6146 9.213989
238.0967 12.56616
238.5788 13.79907
239.0609 11.79321
239.5430 10.02783
240.0252 8.165039
240.5073 6.806519
240.9894 6.769775
241.4715 8.242798
241.9536 10.39661
242.4357 12.27478
242.9179 13.94226
243.4000 14.95520
243.8821 14.52075
244.3642 13.75659
244.8463 13.86707
245.3284 15.10510
245.8106 16.99866
246.2927 19.13452
246.7748 21.52307
247.2569 23.91943
247.7390 26.47815
248.2211 28.95251
248.7033 31.00952
249.1854 32.57800
249.6675 33.90125
250.1496 34.88196
250.6317 35.65247
251.1138 37.34241
251.5960 41.56885
252.0781 46.26672
252.5602 48.45129
253.0423 47.52039
253.5244 45.98096
254.0065 46.36401
254.4887 47.92053
254.9708 48.48975
255.4529 47.15234
255.9350 44.68542
256.4171 41.97498
256.8992 38.94922
257.3813 36.14685
257.8635 33.80200
258.3456 31.94958
258.8277 30.83362
259.3098 31.26526
259.7919 32.04041
260.2740 31.19788
260.7562 28.34692
261.2383 25.53870
261.7204 24.14380
262.2025 23.42554
262.6846 22.51038
263.1667 21.06543
263.6489 19.40833
264.1310 17.86023
264.6131 16.33459
265.0952 15.29224
265.5773 15.69531
266.0594 16.40588
266.5416 16.14966
267.0237 14.29260
267.5058 12.18140
267.9879 11.90332
268.4700 13.94458
268.9521 15.44958
269.4343 15.36475
269.9164 14.49402
270.3985 13.07239
270.8806 11.06030
271.3627 9.172729
271.8448 8.399780
272.3270 8.904907
272.8091 9.502686
273.2912 10.62280
273.7733 11.46338
274.2554 11.21301
274.7375 9.713867
275.2197 7.889038
275.7018 6.845337
276.1839 6.720459
276.6660 6.306885
277.1481 4.343140
277.6302 2.880737
278.1124 3.411743
278.5945 5.823242
279.0766 8.485229
279.5587 9.818115
280.0408 9.716309
280.5229 9.323242
281.0051 8.224487
281.4872 7.234375
281.9693 6.986694
282.4514 7.244507
282.9335 7.138672
283.4156 5.543579
283.8978 2.396118
284.3799 0.8264160
284.8620 2.504639
285.3441 4.175293
285.8262 4.345825
286.3083 3.608887
286.7905 3.386719
287.2726 4.770996
287.7547 7.591675
288.2368 10.22424
288.7189 12.13904
289.2010 14.53870
289.6832 18.93726
290.1653 23.80505
290.6474 26.58289
291.1295 25.47314
291.6116 21.71680
292.0938 20.46790
292.5759 23.95020
293.0580 26.89600
293.5401 28.04004
294.0222 28.24451
294.5043 28.34216
294.9865 28.68628
295.4686 29.39844
295.9507 30.94019
296.4328 34.42810
296.9149 36.68420
297.3970 36.58069
297.8792 35.69238
298.3613 35.32434
298.8434 35.87964
299.3255 36.95300
299.8076 37.98474
300.2897 39.29761
300.7719 39.76062
301.2540 38.77185
301.7361 37.45837
302.2182 36.61816
302.7003 36.32605
303.1824 35.99097
303.6646 34.79407
304.1467 32.36841
304.6288 30.42285
305.1109 29.28931
305.5930 28.29395
306.0751 27.18372
306.5573 25.93445
307.0394 24.61426
307.5215 23.25610
308.0036 21.82812
308.4857 20.64612
308.9678 20.23315
309.4500 19.54834
309.9321 18.06689
310.4142 16.08325
310.8963 14.14832
311.3784 12.63452
311.8605 11.53674
312.3427 10.84863
312.8248 10.33386
313.3069 10.59888
313.7890 12.79187
314.2711 15.50977
314.7532 16.66956
315.2354 15.15723
315.7175 12.23401
316.1996 11.67749
316.6817 15.62683
317.1638 18.64026
317.6459 20.14099
318.1281 20.55615
318.6102 19.71899
319.0923 17.73181
319.5744 15.87390
320.0565 16.52734
320.5386 20.92603
321.0208 24.66077
321.5029 27.39819
321.9850 29.76538
322.4671 31.87256
322.9492 33.81873
323.4313 35.97290
323.9135 39.16357
324.3956 43.97595
324.8777 46.79883
325.3598 45.24500
325.8419 43.99866
326.3240 44.86438
326.8062 47.59521
327.2883 51.07288
327.7704 54.59570
328.2525 58.10449
328.7346 60.83044
329.2167 61.23572
329.6989 62.54224
330.1810 65.51428
330.6631 69.93921
331.1452 75.68225
331.6273 82.81018
332.1094 90.64600
332.5916 97.08472
333.0737 100.4344
333.5558 105.4437
334.0379 114.2798
334.5200 124.2958
335.0021 133.3114
335.4843 140.5170
335.9664 145.6360
336.4485 148.1263
336.9306 147.3792
337.4127 145.7721
337.8948 143.9795
338.3770 141.1493
338.8591 136.4384
339.3412 129.9175
339.8233 122.6498
340.3055 115.5569
340.7876 108.7068
341.2697 101.7926
341.7518 93.56262
342.2339 86.57886
342.7160 82.93787
343.1982 81.39734
343.6803 78.83643
344.1624 72.60132
344.6445 63.72729
345.1266 57.52795
345.6087 55.38782
346.0909 53.84045
346.5730 51.58618
347.0551 49.19092
347.5372 47.49536
348.0193 46.93994
348.5014 46.82422
348.9836 45.75354
349.4657 43.38428
349.9478 41.23523
350.4299 39.94666
350.9120 38.87207
351.3941 37.60315
351.8763 36.06079
352.3584 34.30542
352.8405 32.31958
353.3226 30.08472
353.8047 27.97937
354.2868 25.86572
354.7690 24.12366
355.2511 22.99634
355.7332 22.42493
356.2153 22.16479
356.6974 22.31458
357.1795 22.69006
357.6617 22.52087
358.1438 21.62244
358.6259 20.54871
359.1080 19.79529
359.5901 19.06567
360.0722 17.80750
360.5544 15.63306
361.0365 13.06787
361.5186 10.47156
362.0007 7.702637
362.4828 6.206299
362.9649 7.696289
363.4471 10.16187
363.9292 11.29016
364.4113 10.67261
364.8934 9.492798
365.3755 8.767334
365.8576 8.320190
366.3398 6.943726
366.8219 3.549683
367.3040 0.3780520
367.7861 6.0999999E-04
368.2682 2.154419
368.7503 4.542603
369.2325 6.601074
369.7146 8.223022
370.1967 9.208252
370.6788 9.526978
371.1609 9.305176
371.6430 8.334595
372.1252 6.864502
372.6073 5.770142
373.0894 5.563843
373.5715 5.455566
374.0536 4.602051
374.5357 3.178833
375.0179 2.334839
375.5000 2.974121
375.9821 4.227783
376.4642 3.895630
376.9463 1.191772
377.4284 1.047119
377.9106 1.330811
378.3927 0.5574950
378.8748 0.3627930
379.3569 1.228394
379.8390 2.328247
380.3211 2.565063
380.8033 1.752075
381.2854 1.090332
381.7675 0.5438230
382.2496 0.2583010
382.7317 0.4846190
383.2138 1.166748
383.6960 1.905029
384.1781 2.464722
384.6602 2.827271
385.1423 2.757568
385.6244 2.458130
386.1065 1.622681
386.5887 0.6555180
387.0708 3.388428
387.5529 4.761597
388.0350 3.930786
388.5171 1.866211
388.9992 0.6990970
389.4814 1.382446
389.9635 1.550293
390.4456 1.048462
390.9277 0.1522220
391.4098 1.297974
391.8919 3.100220
392.3741 4.418945
392.8562 4.331177
393.3383 2.672852
393.8204 0.7969970
394.3025 2.080078
394.7846 4.370850
395.2668 5.259521
395.7489 5.197998
396.2310 5.130737
396.7131 5.642334
397.1952 6.392944
397.6773 6.122559
398.1595 3.814209
398.6416 2.158691
399.1237 1.689697
399.6058 1.805908
400.0879 1.938721
400.5700 1.977051
401.0522 2.300537
401.5343 3.621704
402.0164 6.234619
402.4985 8.039429
402.9806 8.156372
403.4627 8.179321
403.9449 8.829224
404.4270 9.943115
404.9091 10.99792
405.3912 11.66370
405.8733 12.03748
406.3554 12.50049
406.8376 13.26013
407.3197 13.56775
407.8018 12.87451
408.2839 11.70325
408.7660 10.26001
409.2481 8.374634
409.7303 7.333252
410.2124 9.036987
410.6945 13.27173
411.1766 16.70630
411.6587 18.65173
412.1408 19.53137
412.6230 19.24194
413.1051 18.03247
413.5872 17.83704
414.0693 20.37366
414.5514 24.09216
415.0335 26.39258
415.5157 27.02209
415.9978 27.43860
416.4799 28.57117
416.9620 30.19873
417.4441 31.54114
417.9262 31.97571
418.4084 32.91504
418.8905 34.82153
419.3726 37.83313
419.8547 42.77881
420.3368 50.35632
420.8189 58.57300
421.3011 63.76953
421.7832 64.83704
422.2653 67.78857
422.7474 74.48523
423.2295 82.50391
423.7116 90.00598
424.1938 96.78369
424.6759 103.4296
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