#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:48 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1176 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000595.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_1000595
loop_
_publ_author_name
'Prewitt, C. T.'
'Buerger, M. J.'
_publ_section_title
;
 The crystal structure of cahnite, Ca2BAsO4(OH)4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1077
_journal_page_last               1085
_journal_volume                  46
_journal_year                    1961
_chemical_compound_source        R070182
_chemical_formula_sum            'As B Ca2 O8'
_chemical_name_mineral           Cahnite
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.11
_cell_length_b                   7.11
_cell_length_c                   6.20
_cell_volume                     313.423
_exptl_crystal_density_diffrn    3.114
_cod_database_code               9000094
_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            R070182.rod
_rod_data_source.block           3500000
_rod_database.code               1000595
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 9000094 COD http://www.crystallography.net/cod/9000094.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
139.3331 0.0000000E+00
139.8152 1.789154
140.2973 1.439056
140.7794 4.7637999E-02
141.2615 0.8636780
141.7437 3.560333
142.2258 5.459930
142.7079 4.995483
143.1900 2.891510
143.6721 1.488464
144.1542 1.204132
144.6364 1.331818
145.1185 1.149933
145.6006 0.9859310
146.0827 0.5502320
146.5648 0.8287660
147.0469 1.384979
147.5291 1.759827
148.0112 1.702057
148.4933 1.464935
148.9754 1.746368
149.4575 3.234222
149.9396 3.996704
150.4218 2.773071
150.9039 0.7266240
151.3860 0.5796200
151.8681 0.1541440
152.3502 1.805084
152.8323 3.533234
153.3145 4.849060
153.7966 6.069366
154.2787 7.340759
154.7608 8.574860
155.2429 9.626953
155.7250 10.41568
156.2072 10.96265
156.6893 10.76035
157.1714 8.573822
157.6535 6.900909
158.1356 7.189026
158.6177 9.167633
159.0999 11.34894
159.5820 12.36554
160.0641 11.99112
160.5462 11.68048
161.0283 11.13223
161.5104 10.84103
161.9926 11.38464
162.4747 12.82391
162.9568 14.37109
163.4389 15.05801
163.9210 14.94730
164.4031 15.18903
164.8853 16.01962
165.3674 17.30432
165.8495 19.02167
166.3316 21.34915
166.8137 23.45737
167.2958 24.83344
167.7780 25.68875
168.2601 26.83081
168.7422 28.67102
169.2243 31.10547
169.7064 33.67523
170.1885 36.62344
170.6707 39.26807
171.1528 42.05606
171.6349 44.91309
172.1170 47.46524
172.5991 49.68536
173.0812 51.62119
173.5634 52.21701
174.0455 51.24503
174.5276 48.84894
175.0097 44.22275
175.4918 37.81546
175.9739 31.30786
176.4561 26.65747
176.9382 24.43484
177.4203 22.06738
177.9024 19.06686
178.3845 16.30908
178.8666 14.31018
179.3488 13.11731
179.8309 12.40646
180.3130 11.76492
180.7951 11.11954
181.2772 10.75763
181.7593 10.97437
182.2415 11.24911
182.7236 11.19843
183.2057 10.73447
183.6878 10.02844
184.1699 9.323151
184.6520 8.571472
185.1342 8.021362
185.6163 7.820404
186.0984 7.617432
186.5805 6.817322
187.0626 5.195740
187.5447 3.476227
188.0269 3.171021
188.5090 4.488647
188.9911 5.299683
189.4732 5.055328
189.9553 4.202728
190.4374 3.222015
190.9196 2.126038
191.4017 1.114716
191.8838 0.2928470
192.3659 0.3847350
192.8480 0.7298890
193.3301 0.4169920
193.8123 0.3550110
194.2944 0.8453370
194.7765 0.7692260
195.2586 0.4443660
195.7407 0.2022710
196.2228 4.3334998E-02
196.7050 3.5248000E-02
197.1871 8.8809999E-03
197.6692 9.3872003E-02
198.1513 0.2767640
198.6334 0.8373410
199.1155 1.223572
199.5977 0.8098750
200.0798 0.3789060
200.5619 1.475220
201.0440 1.481049
201.5261 0.1829530
202.0082 0.7980040
202.4904 0.9311830
202.9725 0.9336850
203.4546 1.250763
203.9367 1.891449
204.4188 2.452698
204.9009 2.253021
205.3831 0.7692260
205.8652 0.1556090
206.3473 1.218231
206.8294 2.534332
207.3115 3.224182
207.7936 3.183258
208.2758 2.960358
208.7579 3.326050
209.2400 4.509735
209.7221 5.775909
210.2042 7.034973
210.6863 8.379089
211.1685 9.969208
211.6506 11.79797
212.1327 13.65326
212.6148 15.29434
213.0969 17.01172
213.5790 17.67856
214.0612 16.25876
214.5433 14.50739
215.0254 13.88156
215.5075 14.70068
215.9896 16.16867
216.4717 17.18936
216.9539 17.60092
217.4360 17.86340
217.9181 18.09814
218.4002 18.13159
218.8823 17.82111
219.3644 17.13297
219.8466 16.04181
220.3287 14.32397
220.8108 11.75916
221.2929 9.798096
221.7750 9.008820
222.2571 8.785248
222.7393 8.407562
223.2214 7.726959
223.7035 6.900116
224.1856 6.030731
224.6677 5.122192
225.1498 4.435547
225.6320 4.297791
226.1141 4.361328
226.5962 3.931580
227.0783 2.714355
227.5604 1.546265
228.0425 1.578674
228.5247 2.502075
229.0068 2.994019
229.4889 2.113129
229.9710 0.4825440
230.4531 0.5045780
230.9352 0.6023860
231.4174 0.2539980
231.8995 0.4587400
232.3816 1.361572
232.8637 1.940613
233.3458 1.756897
233.8279 1.039337
234.3101 0.5480040
234.7922 0.4364930
235.2743 0.3303220
235.7564 0.1096190
236.2385 0.7033390
236.7206 1.076721
237.2028 0.9193120
237.6849 0.3645320
238.1670 3.1677000E-02
238.6491 0.2756650
239.1312 0.3214720
239.6133 1.0498000E-02
240.0955 0.4611210
240.5776 0.7743530
241.0597 0.7347110
241.5418 0.3876040
242.0239 7.5226001E-02
242.5060 0.8763120
242.9882 1.474335
243.4703 1.638275
243.9524 1.537994
244.4345 1.375702
244.9166 1.222992
245.3987 1.147675
245.8809 1.511292
246.3630 2.887756
246.8451 3.965240
247.3272 4.394501
247.8093 4.411469
248.2914 4.298218
248.7736 4.199951
249.2557 4.116547
249.7378 4.037292
250.2199 3.673309
250.7020 3.647980
251.1841 4.487244
251.6663 5.619934
252.1484 6.281433
252.6305 6.115509
253.1126 5.384430
253.5947 4.897461
254.0768 4.547791
254.5590 4.642517
255.0411 5.511078
255.5232 6.716736
256.0053 7.869263
256.4874 8.797089
256.9695 9.444336
257.4517 9.673187
257.9338 8.690887
258.4159 8.136230
258.8980 8.240662
259.3801 8.857727
259.8622 9.743805
260.3444 10.81586
260.8265 11.99869
261.3086 13.14923
261.7907 14.22775
262.2728 15.34399
262.7549 16.59329
263.2371 17.83768
263.7192 18.80035
264.2013 19.43060
264.6834 20.13937
265.1655 21.55563
265.6476 23.97006
266.1298 26.49561
266.6119 29.36365
267.0940 32.21423
267.5761 34.72711
268.0582 36.84811
268.5403 38.65973
269.0225 40.31528
269.5046 41.87631
269.9867 42.69485
270.4688 42.59460
270.9509 41.84479
271.4330 40.63812
271.9152 39.00983
272.3973 36.90860
272.8794 34.09775
273.3615 30.51669
273.8436 27.66354
274.3257 26.03763
274.8079 24.80209
275.2900 23.15628
275.7721 21.11050
276.2542 19.45551
276.7363 18.94656
277.2184 19.51929
277.7006 19.83572
278.1827 19.67776
278.6648 19.41217
279.1469 19.17667
279.6290 18.99377
280.1111 19.03491
280.5933 19.44876
281.0754 20.33862
281.5575 21.73007
282.0396 24.23279
282.5217 26.53476
283.0038 27.49393
283.4860 27.40536
283.9681 27.83722
284.4502 29.80759
284.9323 32.40469
285.4144 33.80005
285.8965 33.75485
286.3787 33.24881
286.8608 32.42957
287.3429 31.46860
287.8250 31.16879
288.3071 32.11624
288.7892 33.42029
289.2714 33.69272
289.7535 32.87036
290.2356 31.75797
290.7177 30.63229
291.1998 29.50034
291.6819 28.44724
292.1641 27.64777
292.6462 26.60040
293.1283 24.41235
293.6104 21.24576
294.0925 18.57510
294.5746 17.42288
295.0568 17.15189
295.5389 16.42990
296.0210 14.98672
296.5031 13.37048
296.9852 11.84900
297.4673 10.48969
297.9495 9.579437
298.4316 9.527496
298.9137 9.899200
299.3958 10.06155
299.8779 9.982513
300.3600 9.767914
300.8422 9.371094
301.3243 8.912933
301.8064 8.616150
302.2885 8.554810
302.7706 8.646179
303.2527 8.815216
303.7349 9.065247
304.2170 9.361298
304.6991 9.761719
305.1812 10.16104
305.6633 10.41037
306.1454 10.46057
306.6276 10.43524
307.1097 10.39908
307.5918 10.35797
308.0739 10.38425
308.5560 10.37329
309.0381 10.58499
309.5203 11.43796
310.0024 13.02969
310.4845 14.37192
310.9666 14.57037
311.4487 13.86459
311.9308 13.37830
312.4130 13.17157
312.8951 13.50632
313.3772 14.89310
313.8593 17.14658
314.3414 18.99274
314.8235 19.20447
315.3057 18.56458
315.7878 19.21548
316.2699 21.66385
316.7520 24.61081
317.2341 27.15427
317.7162 29.44772
318.1984 31.84244
318.6805 34.53543
319.1626 37.36102
319.6447 40.14758
320.1268 42.95609
320.6089 45.43677
321.0911 47.77261
321.5732 49.52820
322.0553 50.00397
322.5374 49.05066
323.0195 46.80267
323.5016 43.07309
323.9838 37.83093
324.4659 32.35968
324.9480 26.62677
325.4301 21.33548
325.9122 17.46097
326.3943 15.22394
326.8765 13.31866
327.3586 10.54541
327.8407 7.161438
328.3228 4.704407
328.8049 3.726501
329.2870 3.553253
329.7692 3.704315
330.2513 4.129883
330.7334 4.144714
331.2155 2.931122
331.6976 1.112762
332.1797 0.3266600
332.6619 1.094879
333.1440 1.901184
333.6261 1.124298
334.1082 0.6083680
334.5903 1.810608
335.0724 1.605316
335.5546 0.8423160
336.0367 0.7467960
336.5188 1.411804
337.0009 1.750488
337.4830 0.5538940
337.9651 1.187042
338.4473 1.493469
338.9294 0.7020870
339.4115 3.009583
339.8936 3.175537
340.3757 1.512390
340.8578 0.4307250
341.3400 1.124634
341.8221 2.522247
342.3042 2.893585
342.7863 2.064758
343.2684 1.279327
343.7505 1.391907
344.2327 1.989685
344.7148 1.999237
345.1969 1.059967
345.6790 0.1404420
346.1611 0.7583310
346.6432 0.8923340
347.1254 1.143433
347.6075 1.783813
348.0896 2.566376
348.5717 3.198608
349.0538 3.657806
349.5359 3.996307
350.0181 4.194824
350.5002 4.297760
350.9823 4.507843
351.4644 4.911041
351.9465 5.358856
352.4286 5.723755
352.9108 6.033630
353.3929 6.467010
353.8750 7.196960
354.3571 8.009430
354.8392 8.317230
355.3214 7.797516
355.8035 7.561005
356.2856 8.239624
356.7677 9.425873
357.2498 10.31204
357.7319 10.61755
358.2141 10.87625
358.6962 11.93137
359.1783 13.94931
359.6604 15.69495
360.1425 17.08676
360.6246 18.12207
361.1068 18.46378
361.5889 18.19363
362.0710 18.36499
362.5531 20.04907
363.0352 23.21240
363.5173 25.33722
363.9995 25.49628
364.4816 25.65097
364.9637 26.82849
365.4458 28.75198
365.9279 30.58093
366.4100 31.82974
366.8922 32.79669
367.3743 34.46057
367.8564 37.28375
368.3385 40.09189
368.8206 43.00320
369.3027 45.71106
369.7849 47.72745
370.2670 48.93488
370.7491 49.82266
371.2312 51.09232
371.7133 53.01154
372.1954 54.43582
372.6776 55.00854
373.1597 55.42291
373.6418 56.25525
374.1239 57.38766
374.6060 58.16858
375.0881 58.00186
375.5703 56.93454
376.0524 56.57104
376.5345 58.12000
377.0166 58.98273
377.4987 58.32187
377.9808 56.67535
378.4630 54.66455
378.9451 52.56857
379.4272 50.67804
379.9093 49.77380
380.3914 50.96262
380.8735 51.27417
381.3557 49.96021
381.8378 48.28333
382.3199 47.13876
382.8020 46.65805
383.2841 46.43558
383.7662 45.95474
384.2484 45.08585
384.7305 44.84619
385.2126 45.88788
385.6947 46.95236
386.1768 47.72266
386.6589 48.20648
387.1411 48.45633
387.6232 48.44739
388.1053 48.31705
388.5874 48.50934
389.0695 48.84476
389.5516 49.90286
390.0338 52.47202
390.5159 55.36728
390.9980 57.42728
391.4801 58.34177
391.9622 58.68933
392.4443 59.36987
392.9265 60.58307
393.4086 61.13568
393.8907 60.77521
394.3728 59.60855
394.8549 57.57407
395.3370 54.90076
395.8192 52.04501
396.3013 49.26190
396.7834 46.40817
397.2655 43.09445
397.7476 39.29639
398.2297 35.67816
398.7119 32.37061
399.1940 29.30847
399.6761 26.57266
400.1582 24.28644
400.6403 22.38287
401.1224 20.56625
401.6046 18.81125
402.0867 17.90958
402.5688 18.62888
403.0509 19.86359
403.5330 20.27167
404.0151 19.78931
404.4973 18.98813
404.9794 17.97360
405.4615 16.84390
405.9436 15.64969
406.4257 14.35291
406.9078 13.41638
407.3900 13.39362
407.8721 14.12640
408.3542 14.67416
408.8363 14.90506
409.3184 15.00037
409.8005 14.93787
410.2827 14.80701
410.7648 14.86844
411.2469 15.19089
411.7290 15.85931
412.2111 17.24643
412.6932 19.91116
413.1754 21.80438
413.6575 22.10364
414.1396 21.71265
414.6217 21.44354
415.1038 21.47461
415.5859 21.82422
416.0681 22.62234
416.5502 23.97272
417.0323 24.47934
417.5144 23.27905
417.9965 22.27551
418.4786 22.17908
418.9608 22.85153
419.4429 24.12704
419.9250 25.97086
420.4071 27.92517
420.8892 28.67654
421.3713 26.88025
421.8535 25.79556
422.3356 25.77548
422.8177 26.29169
423.2998 27.07385
423.7819 28.00360
424.2640 28.92850
424.7462 29.66055
425.2283 30.17569
425.7104 30.88022
426.1925 31.56882
426.6746 32.71082
427.1567 34.96545
427.6389 37.63678
428.1210 39.54810
428.6031 40.03580
429.0852 39.90799
429.5673 40.86362
430.0494 43.21304
430.5316 45.56546
431.0137 47.69363
431.4958 49.62567
431.9779 51.34476
432.4600 52.86398
432.9421 54.23279
433.4243 55.44882
433.9064 56.53229
434.3885 57.56113
434.8706 58.46591
435.3527 59.47870
435.8348 61.19186
436.3170 63.01669
436.7991 63.91556
437.2812 63.28195
437.7633 62.13116
438.2454 61.32321
438.7275 60.84076
439.2097 60.44534
439.6918 60.04102
440.1739 59.63235
440.6560 59.08597
441.1381 58.32678
441.6202 58.05673
442.1024 58.86368
442.5845 60.04910
443.0666 60.89355
443.5487 61.31665
444.0308 61.36819
444.5129 60.97580
444.9951 60.22287
445.4772 59.89209
445.9593 61.08545
446.4414 61.41644
446.9235 59.65579
447.4056 56.65784
447.8878 53.68536
448.3699 51.20303
448.8520 49.03030
449.3341 46.85867
449.8162 44.73395
450.2983 42.48077
450.7805 40.11978
451.2626 37.64075
451.7447 34.89777
452.2268 32.01852
452.7089 29.27081
453.1910 26.84183
453.6732 24.73413
454.1553 22.80566
454.6374 20.94971
455.1195 19.35675
455.6016 18.14609
456.0837 17.10547
456.5659 16.07596
457.0480 15.01758
457.5301 13.99826
458.0122 13.09964
458.4943 12.32401
458.9764 11.58337
459.4586 10.86185
459.9407 10.16779
460.4228 9.534241
460.9049 8.937225
461.3870 8.266602
461.8691 7.407257
462.3513 6.587891
462.8334 6.119171
463.3155 5.991394
463.7976 5.980652
464.2797 6.190216
464.7618 6.275848
465.2440 5.686401
465.7261 4.408325
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