#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:44 +0300 (Thu, 24 May 2018) $
#$Revision: 725 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000230.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_1000230
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 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            R060353.rod
_rod_data_source.block           3500000
_rod_database.code               1000230
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
145.145 0.000
145.628 12.236
146.110 21.048
146.592 23.052
147.074 17.666
147.556 7.735
148.038 0.629
148.520 4.048
149.002 0.511
149.484 21.230
149.967 36.108
150.449 39.665
150.931 31.529
151.413 24.586
151.895 17.170
152.377 11.819
152.859 10.620
153.342 13.755
153.824 21.240
154.306 33.366
154.788 50.537
155.270 71.137
155.752 98.979
156.234 129.688
156.716 157.584
157.198 168.457
157.680 186.482
158.163 222.568
158.645 285.550
159.127 349.780
159.609 402.974
160.091 452.057
160.573 513.449
161.055 592.291
161.538 684.405
162.020 786.320
162.502 896.750
162.984 1017.143
163.466 1154.660
163.948 1305.316
164.430 1450.999
164.912 1572.267
165.394 1687.357
165.876 1812.426
166.359 2022.214
166.841 2189.513
167.323 2242.215
167.805 2181.455
168.287 2043.355
168.769 1799.842
169.251 1504.410
169.733 1228.204
170.216 992.854
170.698 793.581
171.180 626.553
171.662 490.935
172.144 388.831
172.626 330.378
173.108 306.230
173.590 294.923
174.072 294.319
174.555 297.425
175.037 293.122
175.519 276.332
176.001 264.061
176.483 278.489
176.965 314.312
177.447 350.608
177.929 367.812
178.412 377.766
178.894 403.619
179.376 456.531
179.858 515.092
180.340 553.698
180.822 572.475
181.304 575.615
181.786 560.597
182.268 531.853
182.751 500.690
183.233 468.716
183.715 437.052
184.197 402.807
184.679 365.285
185.161 342.247
185.643 357.093
186.125 403.306
186.607 451.556
187.090 488.665
187.572 522.254
188.054 570.387
188.536 630.186
189.018 700.162
189.500 778.685
189.982 864.114
190.464 954.052
190.947 1035.173
191.429 1114.929
191.911 1238.983
192.393 1417.292
192.875 1610.462
193.357 1780.508
193.839 1925.857
194.321 2014.724
194.803 2029.557
195.286 1970.375
195.768 1853.779
196.250 1668.618
196.732 1446.590
197.214 1236.979
197.696 1038.756
198.178 863.758
198.661 715.986
199.143 595.406
199.625 505.638
200.107 453.195
200.589 426.194
201.071 389.798
201.553 341.031
202.035 294.019
202.517 259.906
202.999 239.533
203.482 215.595
203.964 182.074
204.446 143.436
204.928 121.389
205.410 119.693
205.892 124.409
206.374 125.548
206.857 123.794
207.339 115.646
207.821 97.429
208.303 70.875
208.785 54.802
209.267 53.232
209.749 54.929
210.231 47.443
210.713 27.438
211.195 10.904
211.678 2.226
212.160 1.602
212.642 1.529
213.124 1.175
213.606 2.910
214.088 11.289
214.570 30.960
215.052 44.782
215.535 44.660
216.017 27.413
216.499 24.957
216.981 43.233
217.463 70.222
217.945 86.809
218.427 86.516
218.909 89.088
219.391 102.329
219.874 129.711
220.356 151.929
220.838 167.498
221.320 178.593
221.802 189.661
222.284 203.587
222.766 212.076
223.248 211.871
223.731 202.280
224.213 186.138
224.695 161.371
225.177 131.104
225.659 100.162
226.141 61.975
226.623 34.376
227.105 29.408
227.587 64.635
228.070 77.349
228.552 57.199
229.034 15.093
229.516 14.060
229.998 28.429
230.480 33.799
230.962 31.102
231.444 14.459
231.926 3.531
232.409 1.138
232.891 5.377
233.373 8.447
233.855 9.891
234.337 10.729
234.819 11.963
235.301 15.761
235.783 14.879
236.266 16.562
236.748 8.269
237.230 16.406
237.712 12.514
238.194 9.423
238.676 16.941
239.158 43.774
239.640 63.347
240.122 71.315
240.605 68.867
241.087 67.253
241.569 70.951
242.051 70.423
242.533 56.383
243.015 46.805
243.497 11.893
243.980 18.484
244.462 5.281
244.944 4.179
245.426 4.770
245.908 6.958
246.390 21.000
246.872 55.499
247.354 83.615
247.836 98.271
248.318 99.963
248.801 107.694
249.283 123.188
249.765 142.656
250.247 164.185
250.729 192.441
251.211 212.547
251.693 220.355
252.176 216.116
252.658 211.473
253.140 207.174
253.622 202.117
254.104 195.217
254.586 186.414
255.068 176.628
255.550 166.897
256.032 157.343
256.514 142.602
256.997 119.482
257.479 94.910
257.961 74.721
258.443 56.822
258.925 48.137
259.407 52.219
259.889 69.315
260.371 83.545
260.854 94.688
261.336 102.906
261.818 106.662
262.300 100.945
262.782 103.652
263.264 120.679
263.746 152.552
264.228 182.701
264.711 211.598
265.193 238.351
265.675 262.174
266.157 282.079
266.639 301.531
267.121 322.243
267.603 344.289
268.085 357.368
268.567 355.908
269.050 354.335
269.532 374.333
270.014 424.849
270.496 462.349
270.978 471.280
271.460 452.664
271.942 440.144
272.424 440.419
272.906 434.699
273.389 392.910
273.871 305.070
274.353 231.137
274.835 192.351
275.317 186.188
275.799 175.458
276.281 158.881
276.763 140.601
277.246 126.674
277.728 118.072
278.210 105.448
278.692 83.076
279.174 52.818
279.656 32.317
280.138 22.674
280.620 19.274
281.103 18.529
281.585 20.618
282.067 20.757
282.549 16.608
283.031 9.059
283.513 2.962
283.995 1.806
284.477 4.628
284.959 3.161
285.441 2.448
285.924 5.011
286.406 0.464
286.888 10.631
287.370 10.354
287.852 1.452
288.334 15.863
288.816 20.927
289.298 18.696
289.781 24.101
290.263 46.525
290.745 78.239
291.227 95.337
291.709 97.222
292.191 94.005
292.673 93.287
293.155 95.118
293.638 100.419
294.120 109.543
294.602 122.314
295.084 140.753
295.566 164.941
296.048 187.369
296.530 204.259
297.012 214.811
297.494 214.823
297.977 193.705
298.459 168.900
298.941 175.045
299.423 210.497
299.905 243.459
300.387 245.091
300.869 225.962
301.351 207.528
301.833 196.026
302.316 188.894
302.798 179.856
303.280 169.451
303.762 164.365
304.244 175.813
304.726 194.102
305.208 203.712
305.690 195.715
306.172 184.278
306.655 185.767
307.137 196.712
307.619 201.135
308.101 177.668
308.583 146.042
309.065 129.928
309.547 141.936
310.030 161.129
310.512 179.202
310.994 194.107
311.476 198.633
311.958 178.535
312.440 150.758
312.922 127.833
313.404 110.809
313.886 103.999
314.369 117.166
314.851 144.166
315.333 167.069
315.815 179.788
316.297 184.781
316.779 181.907
317.261 166.465
317.743 154.077
318.225 151.324
318.708 155.513
319.190 161.254
319.672 167.875
320.154 176.006
320.636 185.553
321.118 195.710
321.600 209.783
322.082 234.487
322.565 262.566
323.047 281.646
323.529 283.099
324.011 281.067
324.493 280.597
324.975 283.560
325.457 283.075
325.939 269.962
326.422 255.291
326.904 253.661
327.386 279.488
327.868 305.035
328.350 324.792
328.832 338.014
329.314 348.618
329.796 354.040
330.278 358.328
330.760 366.285
331.243 385.563
331.725 397.100
332.207 393.168
332.689 372.317
333.171 365.791
333.653 381.330
334.135 403.333
334.617 417.426
335.100 420.859
335.582 423.182
336.064 425.503
336.546 427.910
337.028 432.669
337.510 443.375
337.992 449.438
338.474 440.983
338.957 415.065
339.439 387.565
339.921 358.797
340.403 330.425
340.885 310.063
341.367 298.563
341.849 290.393
342.331 283.366
342.813 277.627
343.296 267.701
343.778 251.881
344.260 233.222
344.742 217.023
345.224 203.610
345.706 194.860
346.188 193.817
346.670 198.904
347.152 202.050
347.635 202.708
348.117 201.246
348.599 195.306
349.081 186.210
349.563 181.827
350.045 193.012
350.527 210.417
351.009 212.577
351.491 197.104
351.974 176.755
352.456 162.955
352.938 153.839
353.420 144.840
353.902 130.100
354.384 116.395
354.866 114.817
355.349 125.592
355.831 133.517
356.313 124.634
356.795 107.112
357.277 92.003
357.759 88.129
358.241 84.250
358.723 70.681
359.205 49.014
359.688 30.688
360.170 20.760
360.652 17.016
361.134 18.011
361.616 31.585
362.098 39.860
362.580 32.409
363.062 13.213
363.544 2.961
364.027 13.306
364.509 18.553
364.991 18.388
365.473 7.575
365.955 0.388
366.437 1.910
366.919 0.784
367.401 8.740
367.884 33.001
368.366 52.490
368.848 59.980
369.330 52.487
369.812 40.808
370.294 17.067
370.776 7.610
371.258 15.892
371.741 7.611
372.223 22.690
372.705 15.650
373.187 15.811
373.669 33.584
374.151 32.963
374.633 24.362
375.115 15.637
375.597 3.541
376.079 3.760
376.562 24.963
377.044 61.174
377.526 75.867
378.008 64.635
378.490 48.420
378.972 43.222
379.454 49.006
379.936 56.698
380.419 66.791
380.901 75.962
381.383 75.955
381.865 67.027
382.347 55.286
382.829 40.925
383.311 26.472
383.793 21.243
384.276 27.348
384.758 37.544
385.240 42.984
385.722 44.812
386.204 47.160
386.686 53.200
387.168 60.053
387.650 63.117
388.132 61.816
388.615 61.836
389.097 69.853
389.579 81.466
390.061 90.154
390.543 93.432
391.025 92.810
391.507 87.833
391.989 79.064
392.471 70.595
392.954 60.171
393.436 53.358
393.918 55.239
394.400 75.101
394.882 93.145
395.364 103.929
395.846 108.429
396.328 109.086
396.810 102.797
397.293 95.665
397.775 90.329
398.257 87.635
398.739 85.196
399.221 81.638
399.703 78.382
400.185 77.907
400.668 87.065
401.150 89.846
401.632 78.577
402.114 50.205
402.596 36.351
403.078 40.509
403.560 55.356
404.042 77.556
404.524 112.871
405.007 134.781
405.489 133.226
405.971 115.186
406.453 117.437
406.935 145.993
407.417 171.966
407.899 169.034
408.381 138.716
408.863 122.266
409.346 125.708
409.828 141.522
410.310 158.024
410.792 175.467
411.274 195.713
411.756 225.973
412.238 259.084
412.720 273.702
413.203 266.558
413.685 260.333
414.167 281.684
414.649 320.706
415.131 355.938
415.613 373.316
416.095 387.320
416.577 412.299
417.060 446.840
417.542 482.587
418.024 516.215
418.506 547.865
418.988 575.141
419.470 587.781
419.952 612.366
420.434 669.985
420.916 748.287
421.398 816.918
421.881 847.522
422.363 882.165
422.845 943.815
423.327 1051.098
423.809 1145.687
424.291 1217.031
424.773 1271.157
425.255 1316.597
425.738 1367.215
426.220 1390.005
426.702 1375.958
427.184 1326.262
427.666 1264.231
428.148 1191.169
428.630 1105.984
429.112 1001.515
429.595 864.556
430.077 745.250
430.559 647.979
431.041 576.252
431.523 537.369
432.005 534.826
432.487 539.747
432.969 538.939
433.451 532.515
433.934 518.269
434.416 493.341
434.898 475.163
435.380 491.707
435.862 535.904
436.344 577.364
436.826 597.402
437.308 611.569
437.790 647.423
438.273 704.128
438.755 759.834
439.237 793.950
439.719 819.898
440.201 853.803
440.683 899.338
441.165 954.626
441.647 1018.220
442.129 1091.314
442.612 1173.126
443.094 1253.830
443.576 1349.719
444.058 1475.082
444.540 1641.030
445.022 1797.612
445.504 1931.167
445.987 2050.024
446.469 2166.370
446.951 2324.500
447.433 2430.757
447.915 2464.972
448.397 2430.068
448.879 2364.285
449.361 2258.859
449.843 2132.952
450.326 1993.753
450.808 1836.113
451.290 1684.073
451.772 1539.663
452.254 1399.004
452.736 1251.423
453.218 1092.248
453.700 949.297
454.182 838.348
454.665 755.503
455.147 681.462
455.629 615.534
456.111 557.615
456.593 510.070
457.075 471.140
457.557 436.302
458.039 406.069
458.522 376.953
459.004 339.929
459.486 297.562
459.968 262.026
460.450 243.497
460.932 234.419
461.414 229.107
461.896 229.468
462.379 222.809
462.861 187.342
463.343 143.631
463.825 121.670
464.307 161.387
464.789 196.637
465.271 200.891
465.753 172.852
466.235 143.697
466.717 113.568
467.200 87.241
467.682 67.965
468.164 57.082
468.646 51.258
469.128 52.357
469.610 57.930
470.092 62.327
470.574 65.639
471.057 67.174
471.539 65.126
472.021 59.064
472.503 60.626
472.985 71.727
473.467 84.795
473.949 93.539
474.431 97.804
474.914 93.791
475.396 78.733
475.878 57.422
476.360 37.245
476.842 18.544
477.324 3.296
477.806 8.185
478.288 14.767
478.770 11.281
479.253 5.627
479.735 17.118
480.217 2.269
480.699 34.462
481.181 51.747
481.663 28.284
482.145 0.719
482.627 11.898
483.109 10.958
483.592 11.405
484.074 16.394
484.556 24.356
485.038 35.119
485.520 56.883
486.002 66.824
486.484 55.687
486.966 34.866
487.448 23.820
487.931 29.483
488.413 32.832
488.895 28.613
489.377 17.133
489.859 5.681
490.341 5.843
490.823 16.337
491.306 24.692
491.788 30.772
492.270 35.799
492.752 39.831
493.234 42.676
493.716 42.251
494.198 39.362
494.680 40.170
495.162 58.741
495.645 43.409
496.127 67.955
496.609 25.461
497.091 12.020
497.573 5.271
498.055 18.668
498.537 26.065
499.019 6.438
499.501 37.806
499.984 44.030
500.466 34.144
500.948 31.644
501.430 57.849
501.912 80.314
502.394 81.922
502.876 53.997
503.358 38.050
503.841 35.494
504.323 44.641
504.805 66.344
505.287 110.270
505.769 144.434
506.251 161.351
506.733 166.547
507.215 177.438
507.698 194.594
508.180 213.817
508.662 231.369
509.144 248.178
509.626 273.724
510.108 309.738
510.590 348.079
511.072 376.785
511.554 400.976
512.036 435.917
512.519 491.369
513.001 553.333
513.483 604.420
513.965 648.140
514.447 699.075
514.929 764.211
515.411 839.984
515.893 922.583
516.375 1010.143
516.858 1111.974
517.340 1257.276
517.822 1406.614
518.304 1520.971
518.786 1626.169
519.268 1656.457
519.750 1578.965
520.232 1416.887
520.715 1268.457
521.197 1137.748
521.679 1013.499
522.161 886.202
522.643 751.541
523.125 655.681
523.607 602.473
524.089 578.936
524.571 577.494
525.054 596.720
525.536 613.707
526.018 617.488
526.500 622.300
526.982 656.666
527.464 717.077
527.946 781.856
528.429 830.596
528.911 880.912
529.393 954.451
529.875 1054.135
530.357 1164.252
530.839 1288.771
531.321 1413.801
531.803 1526.153
532.286 1640.046
532.768 1721.056
533.250 1759.744
533.732 1758.658
534.214 1730.023
534.696 1674.017
535.178 1591.897
535.660 1480.980
536.142 1338.844
536.625 1184.774
537.107 1004.279
537.589 836.267
538.071 723.720
538.553 670.416
539.035 622.316
539.517 574.356
539.999 527.566
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