#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:48 +0300 (Thu, 24 May 2018) $
#$Revision: 807 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100030.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100030
loop_
_publ_author_name
'Brunton, G.'
_publ_section_title
;
 The crystal structure of KBF4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2161
_journal_page_last               2162
_journal_paper_doi               10.1107/S0567740869005309
_journal_volume                  25
_journal_year                    1969
_chemical_compound_source        R110062
_chemical_formula_sum            'B F4 K'
_chemical_name_mineral           Avogadrite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6588
_cell_length_b                   5.4800
_cell_length_c                   7.0299
_cell_volume                     333.570
_exptl_crystal_density_diffrn    2.507
_cod_original_formula_sum        'K B F4'
_cod_database_code               9007508
_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            R110062.rod
_rod_data_source.block           3500000
_rod_database.code               2100030
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 9007508 COD http://www.crystallography.net/cod/9007508.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
178.2374 0.0000000E+00
178.7195 4.4647001E-02
179.2017 1.006683
179.6838 2.338959
180.1659 3.496368
180.6480 4.226288
181.1301 4.451843
181.6122 4.298096
182.0944 5.133667
182.5765 4.545837
183.0586 5.973511
183.5407 8.189087
184.0228 7.805023
184.5049 4.275269
184.9871 0.2829900
185.4692 1.035278
185.9513 4.4220001E-02
186.4334 1.457397
186.9155 3.181061
187.3976 4.808441
187.8798 4.994781
188.3619 3.416321
188.8440 1.465759
189.3261 0.9945980
189.8082 1.932312
190.2903 3.578522
190.7725 6.388092
191.2546 9.943634
191.7367 11.22391
192.2188 9.656281
192.7009 7.003815
193.1830 6.182251
193.6652 7.187897
194.1473 8.607697
194.6294 9.799713
195.1115 10.76517
195.5936 11.49048
196.0757 11.95276
196.5579 12.24393
197.0400 12.61438
197.5221 13.10300
198.0042 13.28500
198.4863 12.75607
198.9684 11.50845
199.4506 10.53473
199.9327 9.894775
200.4148 9.580322
200.8969 9.749969
201.3790 10.54926
201.8611 11.17013
202.3433 11.16757
202.8254 10.50500
203.3075 9.318817
203.7896 7.391235
204.2717 5.155487
204.7538 3.600220
205.2360 2.659424
205.7181 2.599304
206.2002 4.151794
206.6823 7.831665
207.1644 9.492065
207.6465 7.992737
208.1287 4.705719
208.6108 3.954620
209.0929 6.483643
209.5750 9.742493
210.0571 11.35983
210.5392 11.25549
211.0214 11.53687
211.5035 12.73734
211.9856 14.34167
212.4677 14.47650
212.9498 12.77673
213.4319 10.65732
213.9140 8.644135
214.3962 5.883636
214.8783 4.193115
215.3604 4.216064
215.8425 5.539612
216.3246 6.454041
216.8067 6.843964
217.2889 7.063507
217.7710 7.326660
218.2531 7.661804
218.7352 7.958435
219.2173 8.292969
219.6994 8.575562
220.1816 8.283051
220.6637 6.977417
221.1458 5.824829
221.6279 5.782928
222.1100 7.721527
222.5921 8.398438
223.0743 7.073059
223.5564 4.273926
224.0385 2.391937
224.5206 1.706787
225.0027 1.554443
225.4848 1.473541
225.9670 1.124420
226.4491 1.806580
226.9312 4.345337
227.4133 8.069855
227.8954 9.695404
228.3775 8.295441
228.8597 6.120300
229.3418 4.398621
229.8239 2.944855
230.3060 2.407074
230.7881 3.150909
231.2702 4.880127
231.7524 6.180481
232.2345 6.880219
232.7166 7.351654
233.1987 7.876160
233.6808 8.866180
234.1629 8.918945
234.6451 7.390106
235.1272 4.825378
235.6093 3.528351
236.0914 4.113831
236.5735 5.195831
237.0556 6.069153
237.5378 6.736481
238.0199 7.258942
238.5020 7.968903
238.9841 8.566376
239.4662 7.526154
239.9483 3.276276
240.4305 0.4451900
240.9126 1.468109
241.3947 1.877197
241.8768 4.238678
242.3589 5.077515
242.8410 4.774200
243.3232 4.738159
243.8053 5.475616
244.2874 6.057770
244.7695 5.916748
245.2516 4.465576
245.7337 3.618958
246.2159 3.847412
246.6980 4.645355
247.1801 4.326660
247.6622 2.180054
248.1443 1.1200000E-02
248.6264 1.423401
249.1086 1.954956
249.5907 1.942200
250.0728 1.240692
250.5549 5.7342999E-02
251.0370 1.137939
251.5191 2.645874
252.0013 3.842316
252.4834 4.134430
252.9655 2.977875
253.4476 2.418427
253.9297 2.709412
254.4118 3.495056
254.8940 3.984039
255.3761 4.064880
255.8582 4.043121
256.3403 3.953674
256.8224 3.598175
257.3046 3.891144
257.7867 5.255310
258.2688 6.981232
258.7509 7.617188
259.2330 6.735077
259.7151 5.612000
260.1973 4.576599
260.6794 3.504395
261.1615 3.271027
261.6436 4.356934
262.1257 5.876923
262.6078 6.185333
263.0900 4.714600
263.5721 3.379883
264.0542 2.799103
264.5363 3.008911
265.0184 3.944733
265.5005 6.206207
265.9827 8.769928
266.4648 9.654144
266.9469 8.087555
267.4290 6.612579
267.9111 6.079681
268.3932 6.714081
268.8754 6.970490
269.3575 6.330597
269.8396 5.543945
270.3217 5.710266
270.8038 7.166656
271.2859 8.232666
271.7681 8.259766
272.2502 7.300049
272.7323 6.852661
273.2144 6.936218
273.6965 7.474182
274.1786 8.655670
274.6608 10.75983
275.1429 12.03815
275.6250 11.85419
276.1071 10.42453
276.5892 9.155243
277.0714 7.909698
277.5535 7.272858
278.0356 8.233612
278.5177 11.02798
278.9998 12.93518
279.4819 13.29947
279.9641 12.37723
280.4462 10.98468
280.9283 8.916260
281.4104 7.240936
281.8925 7.113068
282.3746 8.559570
282.8568 9.604950
283.3389 9.942047
283.8210 9.681641
284.3031 8.898468
284.7852 7.511475
285.2673 6.378998
285.7495 6.282349
286.2316 7.141693
286.7137 7.934967
287.1958 8.722961
287.6779 9.117432
288.1600 7.766113
288.6422 4.632202
289.1243 2.058929
289.6064 2.208618
290.0885 4.446259
290.5706 5.238953
291.0527 3.852325
291.5349 1.919342
292.0170 2.447540
292.4991 5.197571
292.9812 7.628540
293.4633 8.145142
293.9454 7.221313
294.4276 6.118011
294.9097 4.783142
295.3918 3.852325
295.8739 4.581299
296.3560 6.613434
296.8381 8.293518
297.3203 8.749878
297.8024 8.322784
298.2845 7.561890
298.7666 6.432312
299.2487 5.340790
299.7308 4.200439
300.2130 3.145660
300.6951 2.587860
301.1772 2.862671
301.6593 3.636871
302.1414 4.603973
302.6235 5.744537
303.1057 6.704010
303.5878 7.162384
304.0699 7.225159
304.5520 7.082977
305.0341 6.902527
305.5162 6.453003
305.9984 5.073608
306.4805 2.892212
306.9626 1.213989
307.4447 1.745453
307.9268 3.130585
308.4089 3.383789
308.8911 0.9236450
309.3732 1.307037
309.8553 0.4013670
310.3374 2.850800
310.8195 5.812500
311.3016 7.043457
311.7838 7.250946
312.2659 6.948547
312.7480 5.985474
313.2301 5.106506
313.7122 4.909760
314.1943 5.114349
314.6765 5.132233
315.1586 4.608490
315.6407 3.882477
316.1228 3.000793
316.6049 1.805908
317.0870 1.199646
317.5692 2.347656
318.0513 4.160767
318.5334 5.106903
319.0155 3.613342
319.4976 2.077332
319.9797 1.661957
320.4619 2.541260
320.9440 3.316925
321.4261 4.028534
321.9082 4.237549
322.3903 3.522430
322.8724 0.2329100
323.3546 2.891693
323.8367 2.522369
324.3188 0.7311400
324.8009 2.500580
325.2830 0.1324460
325.7651 2.790131
326.2473 3.848663
326.7294 0.9049990
327.2115 1.710480
327.6936 4.123444
328.1757 6.035492
328.6578 6.603271
329.1400 4.308685
329.6221 2.196381
330.1042 1.623993
330.5863 4.283691
331.0684 5.656494
331.5505 4.830780
332.0327 2.871948
332.5148 2.155914
332.9969 3.220459
333.4790 4.808929
333.9611 6.815857
334.4432 9.766266
334.9254 10.80685
335.4075 8.901703
335.8896 5.959320
336.3717 4.472382
336.8538 4.546143
337.3359 5.608551
337.8180 7.792938
338.3001 11.06720
338.7823 13.92847
339.2644 15.98764
339.7465 18.35266
340.2286 22.32193
340.7107 28.15701
341.1928 33.88211
341.6750 38.91769
342.1571 43.57742
342.6392 48.83740
343.1213 54.84457
343.6034 60.94199
344.0855 67.10071
344.5677 73.22333
345.0498 77.91000
345.5319 80.58224
346.0140 82.36002
346.4961 85.38824
346.9782 89.60373
347.4604 94.08890
347.9425 97.74323
348.4246 101.1452
348.9067 106.3800
349.3888 113.6572
349.8709 122.2336
350.3531 130.7269
350.8352 139.5986
351.3173 150.5358
351.7994 164.4144
352.2815 180.8643
352.7636 199.5930
353.2458 220.5917
353.7279 243.1642
354.2100 267.3379
354.6921 292.5818
355.1742 317.8877
355.6563 343.2139
356.1385 368.5510
356.6206 396.4529
357.1027 425.6250
357.5848 448.9666
358.0669 469.4897
358.5490 478.9192
359.0312 468.1979
359.5133 431.2793
359.9954 383.6850
360.4775 326.9365
360.9596 265.8030
361.4417 211.3241
361.9239 167.0932
362.4060 130.7382
362.8881 101.5870
363.3702 80.03577
363.8523 63.04691
364.3344 51.00488
364.8166 42.50815
365.2987 35.92838
365.7808 32.09109
366.2629 29.10184
366.7450 26.95554
367.2271 25.52151
367.7093 23.28403
368.1914 18.61523
368.6735 13.92645
369.1556 10.80551
369.6377 10.43387
370.1198 10.30289
370.6020 10.33807
371.0841 10.54425
371.5662 11.00839
372.0483 12.32358
372.5304 13.15842
373.0125 12.90256
373.4947 11.21240
373.9768 9.283783
374.4589 6.567688
374.9410 4.026093
375.4231 3.559692
375.9052 6.140289
376.3874 8.052002
376.8695 7.979431
377.3516 5.978363
377.8337 4.425110
378.3158 3.320496
378.7979 2.648285
379.2801 2.588928
379.7622 3.189087
380.2443 3.467346
380.7264 3.122742
381.2085 2.217285
381.6906 1.148163
382.1728 5.7799999E-02
382.6549 0.4506840
383.1370 0.9172060
383.6191 3.278656
384.1012 3.410431
384.5833 0.7311710
385.0655 2.385620
385.5476 2.520966
386.0297 0.3235780
386.5118 1.896210
386.9939 3.389648
387.4760 4.109772
387.9582 3.635529
388.4403 1.965210
388.9224 0.4957890
389.4045 0.7897950
389.8866 1.903320
390.3687 2.495178
390.8509 1.816528
391.3330 0.8316040
391.8151 0.1169740
392.2972 0.3492130
392.7793 0.6820370
393.2614 1.467682
393.7436 1.807709
394.2257 0.8131710
394.7078 2.483521
395.1899 5.086853
395.6720 5.342224
396.1541 4.329437
396.6363 3.787018
397.1184 4.901489
397.6005 5.834717
398.0826 5.836273
398.5647 4.736542
399.0468 3.853180
399.5290 3.610138
400.0111 3.530487
400.4932 3.064880
400.9753 1.364563
401.4574 0.4508360
401.9395 0.8512570
402.4217 2.250763
402.9038 3.107697
403.3859 2.991455
403.8680 2.968994
404.3501 3.683075
404.8322 5.531036
405.3144 6.663330
405.7965 6.891815
406.2786 6.611938
406.7607 6.424500
407.2428 6.352753
407.7249 6.222015
408.2071 5.847961
408.6892 5.335480
409.1713 5.566437
409.6534 6.685028
410.1355 7.739655
410.6176 7.496094
411.0998 6.233978
411.5819 5.421448
412.0640 5.491730
412.5461 5.916534
413.0282 5.592743
413.5103 4.627533
413.9925 3.903168
414.4746 4.104218
414.9567 4.798584
415.4388 5.387024
415.9209 5.845825
416.4030 6.046478
416.8852 5.927551
417.3673 5.478973
417.8494 4.690308
418.3315 2.958618
418.8136 1.386017
419.2957 0.7670290
419.7779 1.005005
420.2600 1.395508
420.7421 1.724548
421.2242 1.969757
421.7063 2.093445
422.1884 1.927582
422.6706 1.965057
423.1527 2.406067
423.6348 3.124939
424.1169 3.882568
424.5990 5.225677
425.0811 6.051392
425.5633 5.722229
426.0454 3.952637
426.5275 3.023804
427.0096 3.257813
427.4917 4.056793
427.9738 5.061249
428.4560 6.843384
428.9381 7.529297
429.4202 6.407471
429.9023 4.141205
430.3844 3.071320
430.8665 3.573059
431.3487 4.231354
431.8308 4.159027
432.3129 3.293304
432.7950 3.338806
433.2771 4.586243
433.7592 6.022125
434.2414 6.192169
434.7235 5.218719
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435.6877 4.189331
436.1698 4.377441
436.6519 4.541138
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439.0625 3.646484
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441.4731 6.775757
441.9552 6.562958
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443.8837 5.548096
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444.8479 5.625702
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446.2943 7.577087
446.7764 7.454620
447.2585 6.806244
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448.2227 6.021606
448.7049 5.616699
449.1870 4.699310
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450.1512 2.516846
450.6333 3.150818
451.1154 4.231293
451.5976 5.161438
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452.5618 6.524292
453.0439 5.776428
453.5260 4.333099
454.0081 3.258911
454.4903 2.552032
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456.9008 0.8796080
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457.8651 1.057190
458.3472 1.625763
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459.3114 3.558105
459.7935 2.820404
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460.7578 4.611053
461.2399 5.839661
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462.2041 5.671661
462.6862 6.493835
463.1684 9.004181
463.6505 10.37805
464.1326 7.719757
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465.0968 0.8895260
465.5789 3.013885
466.0611 4.719666
466.5432 3.867493
467.0253 0.7519530
467.5074 1.048676
467.9895 0.3900150
468.4716 2.020264
468.9538 2.297699
469.4359 0.1317440
469.9180 1.016754
470.4001 1.031952
470.8822 0.1268310
471.3643 1.704193
471.8465 5.207489
472.3286 7.363342
472.8107 6.921906
473.2928 4.444672
473.7749 3.304962
474.2570 3.713989
474.7392 4.372467
475.2213 4.409790
475.7034 3.868988
476.1855 2.898468
476.6676 1.366852
477.1497 7.6476999E-02
477.6319 0.6748960
478.1140 0.4715270
478.5961 0.4164120
479.0782 2.770874
479.5603 5.273956
480.0424 6.311157
480.5246 6.000427
481.0067 5.285095
481.4888 4.175171
481.9709 3.244995
482.4530 3.154022
482.9352 4.495422
483.4173 5.493073
483.8994 4.958344
484.3815 3.738770
484.8636 3.131348
485.3457 3.961670
485.8279 4.879883
486.3100 5.899445
486.7921 6.990662
487.2742 6.729858
487.7563 3.662903
488.2384 0.7319340
488.7206 0.2527470
489.2027 1.766174
489.6848 2.880005
490.1669 2.835419
490.6490 2.108856
491.1311 1.196655
491.6133 3.9154001E-02
492.0954 0.4089970
492.5775 0.7586980
493.0596 2.989838
493.5417 4.606232
494.0238 5.593994
494.5060 6.185608
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