#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:36:18 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1184 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000600.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_1000600
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        R110095
_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            R110095.rod
_rod_data_source.block           3500000
_rod_database.code               1000600
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
101.2458 0.0000000E+00
101.7280 3.0060001E-03
102.2101 0.1115800
102.6922 0.4734270
103.1743 0.6515660
103.6564 0.6288680
104.1385 0.6681670
104.6207 0.7990150
105.1028 0.9974900
105.5849 1.230648
106.0670 1.578571
106.5491 2.022829
107.0313 2.303549
107.5134 2.345638
107.9955 2.255159
108.4776 1.976833
108.9597 1.440304
109.4418 0.9377420
109.9240 0.5976730
110.4061 0.3690070
110.8882 0.1866700
111.3703 2.8549001E-02
111.8524 8.8492997E-02
112.3345 8.5975997E-02
112.8167 0.2052210
113.2988 0.4608960
113.7809 0.6088910
114.2630 0.6576600
114.7451 0.6402990
115.2272 0.5798760
115.7094 0.4825400
116.1915 0.5008070
116.6736 0.8298300
117.1557 1.049736
117.6378 0.9947110
118.1199 0.7687400
118.6021 0.5132430
119.0842 0.3553370
119.5663 0.3540860
120.0484 0.3683340
120.5305 0.3886910
121.0126 0.4453720
121.4948 0.5810260
121.9769 0.8068310
122.4590 1.025755
122.9411 1.197506
123.4232 1.321682
123.9053 1.321180
124.3875 1.069851
124.8696 0.6678030
125.3517 0.3969610
125.8338 0.3198050
126.3159 0.3480910
126.7980 0.4397280
127.2802 0.5784020
127.7623 0.6907690
128.2444 0.7072390
128.7265 0.6182940
129.2086 0.5358720
129.6907 0.4855270
130.1729 0.4311750
130.6550 0.3424420
131.1371 0.2222250
131.6192 0.1094020
132.1013 6.9094002E-02
132.5834 0.1775130
133.0656 0.2032360
133.5477 8.4905997E-02
134.0298 6.7886002E-02
134.5119 0.1795390
134.9940 0.2228980
135.4761 0.2123550
135.9583 0.1775840
136.4404 9.2724003E-02
136.9225 1.3470000E-02
137.4046 2.5043000E-02
137.8867 6.2801003E-02
138.3688 0.1752700
138.8510 0.4133970
139.3331 0.7141880
139.8152 0.8708320
140.2973 0.8623960
140.7794 0.7846430
141.2615 0.6101910
141.7437 0.3737980
142.2258 0.2323170
142.7079 0.3044850
143.1900 0.5138320
143.6721 0.6793590
144.1542 0.7843070
144.6364 0.8666460
145.1185 0.9536500
145.6006 1.019335
146.0827 1.110577
146.5648 1.309525
147.0469 1.545938
147.5291 1.754833
148.0112 1.930702
148.4933 2.100487
148.9754 2.326660
149.4575 2.597330
149.9396 2.843616
150.4218 3.057690
150.9039 3.255171
151.3860 3.449598
151.8681 3.629843
152.3502 3.821592
152.8323 4.214661
153.3145 5.117283
153.7966 5.937710
154.2787 6.513683
154.7608 6.917709
155.2429 7.331734
155.7250 7.922066
156.2072 8.718529
156.6893 9.196636
157.1714 9.056395
157.6535 8.941032
158.1356 9.176414
158.6177 9.721306
159.0999 10.31551
159.5820 10.65018
160.0641 10.67406
160.5462 10.82542
161.0283 11.21178
161.5104 11.64401
161.9926 12.02356
162.4747 12.33366
162.9568 12.50998
163.4389 12.40180
163.9210 12.02742
164.4031 11.77160
164.8853 11.78550
165.3674 11.93146
165.8495 11.98435
166.3316 11.86895
166.8137 11.78494
167.2958 11.93260
167.7780 12.26867
168.2601 12.66999
168.7422 12.92085
169.2243 13.14918
169.7064 13.89043
170.1885 15.41843
170.6707 17.26893
171.1528 19.23620
171.6349 21.25657
172.1170 23.12559
172.5991 24.80980
173.0812 26.33065
173.5634 27.19810
174.0455 27.12455
174.5276 26.52110
175.0097 25.39938
175.4918 23.83300
175.9739 22.01429
176.4561 20.11525
176.9382 18.05208
177.4203 16.15606
177.9024 14.42338
178.3845 12.83938
178.8666 11.44519
179.3488 10.23094
179.8309 9.110407
180.3130 7.977022
180.7951 6.754492
181.2772 5.741955
181.7593 4.927731
182.2415 4.294840
182.7236 3.901371
183.2057 3.732533
183.6878 3.619287
184.1699 3.305532
184.6520 2.631447
185.1342 2.109329
185.6163 1.872147
186.0984 1.749479
186.5805 1.551884
187.0626 1.218185
187.5447 0.8259300
188.0269 0.4927040
188.5090 0.1972560
188.9911 8.0099999E-04
189.4732 2.0931000E-02
189.9553 5.1823001E-02
190.4374 8.7915003E-02
190.9196 3.6865000E-02
191.4017 4.3113999E-02
191.8838 7.5920001E-02
192.3659 6.7309998E-02
192.8480 2.4507999E-02
193.3301 8.6712003E-02
193.8123 0.2415940
194.2944 0.3495430
194.7765 0.3885900
195.2586 0.3565100
195.7407 0.2339530
196.2228 1.9590000E-02
196.7050 0.1444000
197.1871 0.1279130
197.6692 5.9992000E-02
198.1513 0.2234150
198.6334 0.2719360
199.1155 0.3318290
199.5977 0.5288410
200.0798 0.8591380
200.5619 1.158974
201.0440 1.256945
201.5261 1.126196
202.0082 0.9698100
202.4904 0.7012020
202.9725 0.4932820
203.4546 0.4536290
203.9367 0.5870690
204.4188 0.8070660
204.9009 1.006239
205.3831 1.162611
205.8652 1.367754
206.3473 1.739044
206.8294 2.071619
207.3115 2.204397
207.7936 2.132608
208.2758 2.002144
208.7579 2.015238
209.2400 2.225363
209.7221 2.477314
210.2042 2.837990
210.6863 3.186203
211.1685 3.385077
211.6506 3.432642
212.1327 3.495251
212.6148 3.830601
213.0969 4.645424
213.5790 5.303253
214.0612 5.700228
214.5433 6.015827
215.0254 6.403849
215.5075 6.894836
215.9896 7.412754
216.4717 7.852161
216.9539 8.210043
217.4360 8.468998
217.9181 8.680267
218.4002 8.768002
218.8823 8.640598
219.3644 8.275116
219.8466 7.753262
220.3287 7.154745
220.8108 6.458138
221.2929 5.792702
221.7750 5.227720
222.2571 4.683031
222.7393 4.041300
223.2214 3.268419
223.7035 2.462353
224.1856 1.665007
224.6677 0.8706300
225.1498 0.3888020
225.6320 0.5413990
226.1141 0.9980070
226.5962 1.196978
227.0783 0.9976330
227.5604 0.6885740
228.0425 0.5558280
228.5247 0.5614010
229.0068 0.5654530
229.4889 0.4821780
229.9710 0.3632550
230.4531 0.3437040
230.9352 0.4880050
231.4174 0.6227110
231.8995 0.5857050
232.3816 0.4305080
232.8637 0.3001710
233.3458 0.2741200
233.8279 0.3270450
234.3101 0.3809950
234.7922 0.4430600
235.2743 0.4888440
235.7564 0.5179520
236.2385 0.5239980
236.7206 0.4931390
237.2028 0.4253040
237.6849 0.3149700
238.1670 0.1219840
238.6491 0.2421380
239.1312 0.5545080
239.6133 0.7671640
240.0955 0.8724730
240.5776 0.8490010
241.0597 0.6457900
241.5418 0.3127560
242.0239 9.6593998E-02
242.5060 4.5389000E-02
242.9882 5.8589999E-02
243.4703 0.1490900
243.9524 0.2687050
244.4345 0.3532140
244.9166 0.3672710
245.3987 0.3194480
245.8809 0.2495920
246.3630 0.1844600
246.8451 6.0593002E-02
247.3272 0.1999650
247.8093 0.5183850
248.2914 0.7766740
248.7736 0.9055670
249.2557 0.9379520
249.7378 1.018003
250.2199 1.143137
250.7020 1.339510
251.1841 1.738342
251.6663 2.166660
252.1484 2.382935
252.6305 2.267225
253.1126 1.951982
253.5947 1.857985
254.0768 2.275637
254.5590 2.565205
255.0411 2.623154
255.5232 2.585997
256.0053 2.568844
256.4874 2.621405
256.9695 2.747721
257.4517 2.958822
257.9338 3.397593
258.4159 3.751987
258.8980 3.965919
259.3801 4.116344
259.8622 4.235197
260.3444 4.338652
260.8265 4.527756
261.3086 5.006613
261.7907 6.132477
262.2728 6.994846
262.7549 7.241961
263.2371 7.389008
263.7192 7.992069
264.2013 9.192739
264.6834 10.65632
265.1655 11.89238
265.6476 12.76973
266.1298 13.71154
266.6119 14.85141
267.0940 15.99496
267.5761 16.94636
268.0582 17.67402
268.5403 18.30071
269.0225 19.03472
269.5046 19.98709
269.9867 20.33526
270.4688 19.71272
270.9509 18.69303
271.4330 17.69931
271.9152 16.79674
272.3973 15.93746
272.8794 15.08277
273.3615 14.23203
273.8436 13.41951
274.3257 12.44526
274.8079 11.64521
275.2900 11.35044
275.7721 11.55516
276.2542 11.94479
276.7363 12.32048
277.2184 12.68518
277.7006 13.07844
278.1827 13.39252
278.6648 13.81837
279.1469 14.54087
279.6290 15.52969
280.1111 16.54576
280.5933 17.42592
281.0754 18.23876
281.5575 19.21452
282.0396 20.39310
282.5217 21.68751
283.0038 23.12984
283.4860 24.67893
283.9681 26.14271
284.4502 27.49288
284.9323 28.63631
285.4144 29.48288
285.8965 30.09152
286.3787 30.30383
286.8608 29.90981
287.3429 29.01836
287.8250 28.02730
288.3071 27.09443
288.7892 26.04869
289.2714 24.61340
289.7535 22.75779
290.2356 20.90176
290.7177 19.10400
291.1998 17.45456
291.6819 16.22594
292.1641 15.60121
292.6462 15.12343
293.1283 14.22114
293.6104 12.97990
294.0925 11.91160
294.5746 11.23294
295.0568 10.86351
295.5389 10.67527
296.0210 10.68662
296.5031 10.75875
296.9852 10.73175
297.4673 10.67270
297.9495 10.80037
298.4316 11.25726
298.9137 11.93283
299.3958 12.65574
299.8779 13.40563
300.3600 14.22934
300.8422 15.11621
301.3243 16.10345
301.8064 17.28482
302.2885 18.80991
302.7706 20.43816
303.2527 21.89838
303.7349 23.18871
304.2170 24.44812
304.6991 25.79181
305.1812 27.11795
305.6633 28.26328
306.1454 29.15806
306.6276 29.98435
307.1097 30.79465
307.5918 31.60354
308.0739 32.73377
308.5560 34.41617
309.0381 36.36699
309.5203 38.18922
310.0024 39.85439
310.4845 41.67330
310.9666 43.77945
311.4487 46.19036
311.9308 48.97508
312.4130 52.09721
312.8951 55.69367
313.3772 59.74670
313.8593 64.25820
314.3414 69.25083
314.8235 74.68600
315.3057 80.61623
315.7878 87.30190
316.2699 94.83614
316.7520 102.9059
317.2341 111.5515
317.7162 120.5040
318.1984 129.2778
318.6805 138.6231
319.1626 147.2301
319.6447 153.2023
320.1268 156.5448
320.6089 157.2468
321.0911 154.8801
321.5732 149.8176
322.0553 142.1044
322.5374 131.0904
323.0195 118.4482
323.5016 105.4390
323.9838 91.97532
324.4659 79.29958
324.9480 67.78282
325.4301 57.53105
325.9122 48.64309
326.3943 41.10842
326.8765 34.61384
327.3586 29.01197
327.8407 24.25591
328.3228 20.26582
328.8049 17.19106
329.2870 14.69837
329.7692 12.42209
330.2513 10.36145
330.7334 8.562920
331.2155 7.077736
331.6976 5.875780
332.1797 4.913435
332.6619 4.222378
333.1440 3.671745
333.6261 3.208038
334.1082 2.805649
334.5903 2.406479
335.0724 1.942429
335.5546 1.501207
336.0367 1.228800
336.5188 1.142788
337.0009 1.053984
337.4830 0.8517170
337.9651 0.5741730
338.4473 0.2869420
338.9294 4.3816000E-02
339.4115 0.3185390
339.8936 0.4292640
340.3757 0.3951440
340.8578 0.3504830
341.3400 0.3257050
341.8221 0.3357750
342.3042 0.4059220
342.7863 0.5474760
343.2684 0.6832080
343.7505 0.7713410
344.2327 0.8261090
344.7148 0.8938310
345.1969 1.001516
345.6790 1.077488
346.1611 0.9917760
346.6432 0.7730200
347.1254 0.6096150
347.6075 0.5618000
348.0896 0.5898990
348.5717 0.7110480
349.0538 0.9353900
349.5359 1.020792
350.0181 0.6884960
350.5002 5.2094001E-02
350.9823 0.3488120
351.4644 0.2449170
351.9465 0.1019820
352.4286 0.2614860
352.9108 0.6688920
353.3929 1.060913
353.8750 1.296785
354.3571 1.451694
354.8392 1.714487
355.3214 2.108526
355.8035 2.534361
356.2856 3.001118
356.7677 3.466663
357.2498 3.827103
357.7319 4.036959
358.2141 4.228048
358.6962 4.611696
359.1783 5.231012
359.6604 5.765667
360.1425 6.005009
360.6246 6.254793
361.1068 6.853811
361.5889 7.817482
362.0710 8.832760
362.5531 9.647102
363.0352 10.26014
363.5173 10.86855
363.9995 11.48178
364.4816 12.08491
364.9637 12.59527
365.4458 13.08314
365.9279 13.75079
366.4100 14.72683
366.8922 15.89600
367.3743 16.86399
367.8564 17.40910
368.3385 18.08185
368.8206 19.04989
369.3027 20.14074
369.7849 21.13752
370.2670 21.97966
370.7491 22.79628
371.2312 23.79220
371.7133 25.12084
372.1954 26.10866
372.6776 26.65036
373.1597 26.96892
373.6418 27.11345
374.1239 27.14386
374.6060 27.19532
375.0881 27.38699
375.5703 27.71135
376.0524 27.92296
376.5345 28.12732
377.0166 28.10703
377.4987 27.67581
377.9808 27.02255
378.4630 26.41157
378.9451 25.96469
379.4272 25.61736
379.9093 25.20490
380.3914 24.56419
380.8735 24.14244
381.3557 24.09405
381.8378 24.14629
382.3199 24.04081
382.8020 23.77514
383.2841 23.59522
383.7662 23.80445
384.2484 24.46874
384.7305 25.06536
385.2126 25.48655
385.6947 25.94485
386.1768 26.40450
386.6589 26.96042
387.1411 27.79422
387.6232 29.04711
388.1053 30.61462
388.5874 32.11957
389.0695 33.54786
389.5516 34.93130
390.0338 36.22462
390.5159 37.51964
390.9980 38.99802
391.4801 40.70493
391.9622 42.26107
392.4443 43.21510
392.9265 43.54022
393.4086 43.52753
393.8907 43.24459
394.3728 42.54737
394.8549 41.26092
395.3370 39.47609
395.8192 37.53391
396.3013 35.65551
396.7834 33.77631
397.2655 31.65750
397.7476 29.18390
398.2297 26.81777
398.7119 24.74092
399.1940 22.92540
399.6761 21.38991
400.1582 20.15862
400.6403 19.14893
401.1224 18.31865
401.6046 17.65896
402.0867 17.09224
402.5688 16.61664
403.0509 16.20153
403.5330 15.77881
404.0151 15.35209
404.4973 15.06372
404.9794 14.98737
405.4615 15.07332
405.9436 15.18068
406.4257 15.25618
406.9078 15.60225
407.3900 16.59570
407.8721 18.14839
408.3542 19.63308
408.8363 21.53251
409.3184 22.82106
409.8005 22.40766
410.2827 20.72565
410.7648 19.24459
411.2469 18.58760
411.7290 18.54130
412.2111 18.71206
412.6932 19.21678
413.1754 19.61148
413.6575 19.83949
414.1396 19.91095
414.6217 19.81222
415.1038 19.54925
415.5859 19.18892
416.0681 18.79867
416.5502 18.38327
417.0323 17.85892
417.5144 17.10578
417.9965 16.38707
418.4786 15.81321
418.9608 15.35262
419.4429 14.93402
419.9250 14.52388
420.4071 14.11665
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