#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:48 +0300 (Thu, 26 Apr 2018) $
#$Revision: 582 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100012.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_2100012
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 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            R110062.rod
_rod_data_source.block           3500000
_rod_database.code               2100012
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
178.3845 0.0000000E+00
178.8666 0.4045720
179.3488 0.3417210
179.8309 3.2875001E-02
180.3130 3.0440999E-02
180.7951 0.4629820
181.2772 1.001732
181.7593 2.045036
182.2415 3.069382
182.7236 3.734955
183.2057 3.439560
183.6878 2.720047
184.1699 2.140831
184.6520 2.061104
185.1342 1.594566
185.6163 0.9387740
186.0984 0.3325200
186.5805 4.8139999E-03
187.0626 1.5198000E-02
187.5447 0.3204120
188.0269 1.296455
188.5090 3.302460
188.9911 4.368530
189.4732 3.081566
189.9553 0.7141720
190.4374 0.3613280
190.9196 0.8009190
191.4017 2.867271
191.8838 3.950653
192.3659 4.028938
192.8480 3.912361
193.3301 3.916283
193.8123 4.020256
194.2944 4.165077
194.7765 4.398193
195.2586 4.558289
195.7407 4.407532
196.2228 3.939804
196.7050 3.586586
197.1871 3.782494
197.6692 4.476044
198.1513 4.943413
198.6334 5.096733
199.1155 4.909470
199.5977 4.161041
200.0798 2.935417
200.5619 1.805779
201.0440 1.815170
201.5261 3.207344
202.0082 4.147293
202.4904 4.129395
202.9725 3.806168
203.4546 3.454277
203.9367 3.159180
204.4188 2.900162
204.9009 2.924843
205.3831 2.629646
205.8652 2.392357
206.3473 2.781075
206.8294 3.231102
207.3115 3.485008
207.7936 3.541664
208.2758 3.464981
208.7579 3.131485
209.2400 2.422523
209.7221 2.175072
210.2042 2.674294
210.6863 3.264694
211.1685 3.783707
211.6506 4.152252
212.1327 4.374374
212.6148 4.460732
213.0969 4.434708
213.5790 4.165535
214.0612 3.405151
214.5433 2.581932
215.0254 1.989975
215.5075 1.711639
215.9896 1.657562
216.4717 1.719582
216.9539 1.970139
217.4360 2.170013
217.9181 2.294815
218.4002 2.378029
218.8823 2.526466
219.3644 2.767380
219.8466 2.854462
220.3287 2.266251
220.8108 0.7480320
221.2929 6.4389999E-03
221.7750 1.059059
222.2571 2.709862
222.7393 3.358429
223.2214 2.581200
223.7035 1.357742
224.1856 0.9411010
224.6677 1.261131
225.1498 1.476852
225.6320 1.187042
226.1141 0.7065580
226.5962 0.5593950
227.0783 0.8642880
227.5604 1.407379
228.0425 2.239883
228.5247 3.240410
229.0068 3.755569
229.4889 3.320213
229.9710 2.239784
230.4531 1.053741
230.9352 0.4338610
231.4174 1.462418
231.8995 1.183403
232.3816 1.4435000E-02
232.8637 1.108528
233.3458 1.501442
233.8279 1.399139
234.3101 1.540382
234.7922 2.213203
235.2743 2.645332
235.7564 2.287964
236.2385 1.409279
236.7206 0.5809100
237.2028 1.8051000E-02
237.6849 0.2394030
238.1670 6.7359999E-02
238.6491 1.522980
239.1312 2.661499
239.6133 2.836899
240.0955 2.349068
240.5776 1.639328
241.0597 0.7903210
241.5418 2.6314000E-02
242.0239 0.1334230
242.5060 2.282974
242.9882 4.038559
243.4703 4.585838
243.9524 4.358849
244.4345 3.976257
244.9166 3.774368
245.3987 3.736389
245.8809 3.749168
246.3630 3.794899
246.8451 3.911514
247.3272 4.255722
247.8093 4.628410
248.2914 4.748909
248.7736 4.542923
249.2557 4.037315
249.7378 3.443825
250.2199 2.296722
250.7020 1.704941
251.1841 2.167320
251.6663 3.094566
252.1484 3.823280
252.6305 4.036545
253.1126 3.892357
253.5947 3.885811
254.0768 4.345558
254.5590 4.540924
255.0411 4.102318
255.5232 3.506958
256.0053 3.254486
256.4874 3.558350
256.9695 4.313164
257.4517 5.266617
257.9338 7.052536
258.4159 8.271744
258.8980 8.647026
259.3801 8.548897
259.8622 8.240364
260.3444 7.829201
260.8265 7.519775
261.3086 7.559380
261.7907 8.297722
262.2728 8.747757
262.7549 8.810623
263.2371 8.606407
263.7192 8.132797
264.2013 7.404869
264.6834 6.754356
265.1655 6.699425
265.6476 7.539528
266.1298 8.320053
266.6119 9.206810
267.0940 9.934616
267.5761 10.08514
268.0582 9.615295
268.5403 9.108681
269.0225 9.355194
269.5046 10.66805
269.9867 11.18204
270.4688 10.08044
270.9509 8.646622
271.4330 8.071869
271.9152 8.470596
272.3973 9.014572
272.8794 8.876587
273.3615 7.994598
273.8436 7.455872
274.3257 7.578606
274.8079 7.836769
275.2900 7.790253
275.7721 7.429764
276.2542 7.067993
276.7363 6.974342
277.2184 7.102013
277.7006 7.017822
278.1827 6.431030
278.6648 5.852272
279.1469 5.653748
279.6290 5.851349
280.1111 6.173378
280.5933 6.489754
281.0754 6.805359
281.5575 7.154655
282.0396 7.819664
282.5217 8.193733
283.0038 7.605095
283.4860 6.260017
283.9681 5.303078
284.4502 5.442734
284.9323 6.142387
285.4144 6.186073
285.8965 5.279129
286.3787 4.456528
286.8608 4.387711
287.3429 4.894867
287.8250 5.397079
288.3071 5.862740
288.7892 5.948082
289.2714 5.037247
289.7535 3.064621
290.2356 1.531609
290.7177 1.430481
291.1998 2.218605
291.6819 2.372879
292.1641 1.259239
292.6462 4.8531000E-02
293.1283 0.2157590
293.6104 1.580612
294.0925 2.805473
294.5746 3.375443
295.0568 3.432770
295.5389 3.116058
296.0210 2.277397
296.5031 1.699158
296.9852 2.473923
297.4673 4.100327
297.9495 5.198318
298.4316 5.080788
298.9137 4.265709
299.3958 3.378777
299.8779 2.401848
300.3600 1.711159
300.8422 1.796196
301.3243 2.279770
301.8064 2.517784
302.2885 2.231995
302.7706 1.779770
303.2527 1.532990
303.7349 1.494316
304.2170 1.619705
304.6991 2.045128
305.1812 2.550598
305.6633 2.876648
306.1454 3.033699
306.6276 2.899780
307.1097 2.150452
307.5918 0.8378220
308.0739 0.1387250
308.5560 0.3730700
309.0381 0.2029420
309.5203 4.1076999E-02
310.0024 9.7038001E-02
310.4845 0.2717670
310.9666 0.5718460
311.4487 0.9601670
311.9308 1.247200
312.4130 1.371193
312.8951 1.412498
313.3772 1.510239
313.8593 1.636459
314.3414 1.575089
314.8235 0.9196170
315.3057 7.5610001E-03
315.7878 0.1320720
316.2699 0.9556580
316.7520 1.919037
317.2341 1.471718
317.7162 0.1515580
318.1984 0.9096530
318.6805 1.263939
319.1626 1.145363
319.6447 0.8427660
320.1268 0.3124620
320.6089 0.1855390
321.0911 0.4948580
321.5732 0.6828540
322.0553 0.8414310
322.5374 1.028900
323.0195 1.127739
323.5016 0.8884580
323.9838 0.3043820
324.4659 1.3657000E-02
324.9480 0.5405500
325.4301 1.287399
325.9122 1.440315
326.3943 0.8372570
326.8765 0.2806020
327.3586 0.4904020
327.8407 1.310883
328.3228 1.863213
328.8049 1.885422
329.2870 1.652695
329.7692 1.241676
330.2513 0.6936800
330.7334 0.6822280
331.2155 2.091202
331.6976 4.220337
332.1797 5.335228
332.6619 5.017792
333.1440 4.354607
333.6261 3.998276
334.1082 3.951584
334.5903 4.346420
335.0724 5.660927
335.5546 7.222191
336.0367 7.796318
336.5188 7.190186
337.0009 7.400490
337.4830 9.816559
337.9651 13.83020
338.4473 18.27063
338.9294 23.23582
339.4115 28.25991
339.8936 33.00251
340.3757 37.48639
340.8578 41.80856
341.3400 46.33104
341.8221 50.33902
342.3042 52.86255
342.7863 53.79718
343.2684 54.10764
343.7505 53.49564
344.2327 52.63234
344.7148 53.27863
345.1969 56.04538
345.6790 59.73392
346.1611 62.78304
346.6432 65.36337
347.1254 69.12238
347.6075 75.25768
348.0896 82.37899
348.5717 88.51010
349.0538 93.49886
349.5359 98.73975
350.0181 104.7770
350.5002 112.0240
350.9823 121.6374
351.4644 133.9684
351.9465 148.3935
352.4286 164.2366
352.9108 181.6826
353.3929 201.9924
353.8750 225.7333
354.3571 252.7675
354.8392 283.1046
355.3214 318.7126
355.8035 352.6561
356.2856 385.7431
356.7677 414.8075
357.2498 435.8286
357.7319 448.4827
358.2141 448.2503
358.6962 425.7884
359.1783 378.1625
359.6604 327.6185
360.1425 270.6779
360.6246 215.2901
361.1068 168.5904
361.5889 131.0176
362.0710 101.1827
362.5531 78.51897
363.0352 63.21750
363.5173 50.63872
363.9995 41.10007
364.4816 33.58110
364.9637 28.10587
365.4458 24.31859
365.9279 21.55605
366.4100 19.60532
366.8922 18.22680
367.3743 16.59200
367.8564 14.40146
368.3385 12.38416
368.8206 10.54762
369.3027 8.962044
369.7849 7.749245
370.2670 6.939743
370.7491 6.411804
371.2312 6.002129
371.7133 5.693634
372.1954 5.611549
372.6776 6.118217
373.1597 6.521385
373.6418 6.281319
374.1239 5.528313
374.6060 4.784378
375.0881 4.481323
375.5703 4.600693
376.0524 4.562416
376.5345 4.491714
377.0166 4.245407
377.4987 3.607605
377.9808 2.842461
378.4630 2.254433
378.9451 1.960777
379.4272 1.964714
379.9093 2.335190
380.3914 3.690079
380.8735 4.345100
381.3557 3.945061
381.8378 3.116623
382.3199 2.140305
382.8020 1.163895
383.2841 0.3931350
383.7662 9.6680000E-02
384.2484 0.3406220
384.7305 0.5818710
385.2126 1.022972
385.6947 1.265038
386.1768 0.8458400
386.6589 0.1443710
387.1411 4.4479001E-02
387.6232 0.8551790
388.1053 2.460625
388.5874 3.367165
389.0695 3.219315
389.5516 3.015572
390.0338 3.133423
390.5159 3.233444
390.9980 2.950027
391.4801 2.185501
391.9622 1.260567
392.4443 0.4927440
392.9265 0.1319810
393.4086 0.4515000
393.8907 0.3174060
394.3728 3.7498001E-02
394.8549 0.6419370
395.3370 1.387672
395.8192 1.913910
396.3013 1.802406
396.7834 1.299706
397.2655 1.289375
397.7476 1.983231
398.2297 2.618546
398.7119 2.811920
399.1940 2.703117
399.6761 2.403076
400.1582 1.869705
400.6403 1.308151
401.1224 0.9329610
401.6046 0.7322080
402.0867 0.5753330
402.5688 0.4776690
403.0509 0.3431170
403.5330 1.4290000E-02
404.0151 0.6057890
404.4973 1.001411
404.9794 1.048569
405.4615 0.7686390
405.9436 7.0039998E-03
406.4257 1.338562
406.9078 2.438560
407.3900 2.432663
407.8721 1.534912
408.3542 0.9679640
408.8363 0.9482190
409.3184 1.161537
409.8005 1.646011
410.2827 2.248390
410.7648 2.326401
411.2469 1.443504
411.7290 0.1853180
412.2111 1.9096000E-02
412.6932 1.534531
413.1754 2.496246
413.6575 2.125237
414.1396 1.230209
414.6217 0.5780260
415.1038 0.3222120
415.5859 0.3325880
416.0681 0.5247880
416.5502 0.9315640
417.0323 1.131866
417.5144 0.9197460
417.9965 0.7504350
418.4786 0.9381640
418.9608 1.289886
419.4429 1.374359
419.9250 0.9547270
420.4071 0.2601240
420.8892 5.7007000E-02
421.3713 0.3077930
421.8535 0.5695190
422.3356 0.7212070
422.8177 0.7619170
423.2998 0.5945510
423.7819 0.2657470
424.2640 2.2758000E-02
424.7462 0.1456070
425.2283 0.6626430
425.7104 1.130524
426.1925 1.700760
426.6746 2.044762
427.1567 1.900467
427.6389 1.469315
428.1210 1.201210
428.6031 1.306534
429.0852 1.620667
429.5673 1.843544
430.0494 1.993706
430.5316 2.022263
431.0137 1.593651
431.4958 1.174889
431.9779 1.260811
432.4600 1.873619
432.9421 2.583893
433.4243 3.256920
433.9064 3.797821
434.3885 3.663521
434.8706 2.484917
435.3527 1.434021
435.8348 1.364052
436.3170 1.908318
436.7991 2.535652
437.2812 3.231422
437.7633 3.808090
438.2454 4.149620
438.7275 4.242599
439.2097 3.874374
439.6918 2.697121
440.1739 1.438736
440.6560 1.360474
441.1381 2.533165
441.6202 3.500290
442.1024 3.762413
442.5845 3.681129
443.0666 3.611511
443.5487 3.557686
444.0308 3.420090
444.5129 3.045341
444.9951 2.491951
445.4772 2.297302
445.9593 2.877075
446.4414 3.278114
446.9235 3.014244
447.4056 2.448929
447.8878 2.242676
448.3699 2.560028
448.8520 2.932831
449.3341 2.615402
449.8162 1.081398
450.2983 0.3922040
450.7805 1.116188
451.2626 2.010597
451.7447 2.598854
452.2268 2.834755
452.7089 2.758095
453.1910 2.366470
453.6732 1.759186
454.1553 1.348610
454.6374 1.136429
455.1195 1.143120
455.6016 1.628441
456.0837 2.137527
456.5659 2.160988
457.0480 1.658920
457.5301 1.200645
458.0122 1.535469
458.4943 2.640770
458.9764 3.245354
459.4586 3.073196
459.9407 2.735580
460.4228 2.438454
460.9049 2.232735
461.3870 2.228806
461.8691 2.501167
462.3513 2.878372
462.8334 3.319786
463.3155 3.822075
463.7976 3.791321
464.2797 2.631081
464.7618 1.283325
465.2440 1.124275
465.7261 2.177368
466.2082 2.841705
466.6903 2.064751
467.1724 0.8880620
467.6545 0.7238920
468.1367 1.624908
468.6188 2.491455
469.1009 2.515579
469.5830 1.927200
470.0651 1.901497
470.5472 3.193390
471.0294 4.017677
471.5115 3.498322
471.9936 2.439354
472.4757 1.900185
472.9578 2.134537
473.4399 2.596687
473.9221 2.628448
474.4042 2.140099
474.8863 1.733551
475.3684 1.428345
475.8505 1.168907
476.3326 0.9726330
476.8148 0.8014830
477.2969 0.5387880
477.7790 0.1194230
478.2611 0.2539830
478.7432 3.2752998E-02
479.2253 1.173042
479.7075 1.866638
480.1896 1.375412
480.6717 0.7491070
481.1538 0.5583880
481.6359 0.7720110
482.1180 1.033905
482.6002 1.176003
483.0823 1.171120
483.5644 0.7933880
484.0465 0.1723710
484.5286 0.6956560
485.0107 4.4098001E-02
485.4929 1.297310
485.9750 2.328056
486.4571 3.144562
486.9392 3.283836
487.4213 1.723213
487.9034 0.6155780
488.3856 1.496040
488.8677 0.4455180
489.3498 1.055038
489.8319 1.836151
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