#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:17:34 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1067 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000512.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_1000512
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 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            R110095.rod
_rod_data_source.block           3500000
_rod_database.code               1000512
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
112.6696 0.0000000E+00
113.1517 2.3492999E-02
113.6338 8.7209996E-03
114.1159 4.4829999E-03
114.5980 2.6513999E-02
115.0801 7.9155996E-02
115.5623 0.1679870
116.0444 0.2791920
116.5265 0.4237950
117.0086 0.7196300
117.4907 0.9011510
117.9728 1.057847
118.4550 1.221901
118.9371 1.351172
119.4192 1.531085
119.9013 1.590780
120.3834 1.268135
120.8655 0.6884680
121.3477 0.3917510
121.8298 1.044666
122.3119 2.011930
122.7940 2.600560
123.2761 2.309666
123.7582 1.840314
124.2404 1.858737
124.7225 2.347294
125.2046 2.838056
125.6867 2.930119
126.1688 2.754108
126.6509 2.603842
127.1331 2.565308
127.6152 2.709085
128.0973 3.093870
128.5794 3.707352
129.0615 4.250977
129.5436 4.325872
130.0258 3.738411
130.5079 3.487540
130.9900 4.186393
131.4721 5.157507
131.9542 5.419141
132.4363 5.010637
132.9185 4.375685
133.4006 3.954778
133.8827 3.741073
134.3648 3.585723
134.8469 3.419430
135.3290 3.241770
135.8112 3.034444
136.2933 2.773104
136.7754 2.509826
137.2575 2.373624
137.7396 2.381420
138.2217 2.444353
138.7039 2.571739
139.1860 2.804990
139.6681 2.791454
140.1502 2.425469
140.6323 1.795743
141.1144 1.262084
141.5966 0.8137570
142.0787 0.4839020
142.5608 0.3144640
143.0429 0.3558010
143.5250 0.4197230
144.0071 0.5143600
144.4893 0.6314840
144.9714 0.5874100
145.4535 0.2548910
145.9356 0.1158840
146.4177 0.2637210
146.8998 5.9941001E-02
147.3820 0.2095010
147.8641 1.8533999E-02
148.3462 0.7166380
148.8283 1.139697
149.3104 1.199486
149.7925 1.027865
150.2747 0.7689090
150.7568 0.3389550
151.2389 8.1647001E-02
151.7210 0.4722160
152.2031 0.8507290
152.6852 1.133452
153.1674 1.109307
153.6495 1.036155
154.1316 1.286629
154.6137 2.276141
155.0958 3.260530
155.5779 3.982970
156.0601 4.277640
156.5422 4.650197
157.0243 5.186562
157.5064 5.844453
157.9885 6.541585
158.4706 7.356760
158.9528 8.135947
159.4349 8.801579
159.9170 9.291901
160.3991 9.754012
160.8812 10.26110
161.3633 10.77642
161.8455 11.20154
162.3276 11.28333
162.8097 11.39449
163.2918 11.79317
163.7739 12.71805
164.2560 13.68545
164.7382 14.54170
165.2203 15.28479
165.7024 15.90712
166.1845 16.19301
166.6666 16.45362
167.1487 16.96271
167.6309 17.89809
168.1130 19.00494
168.5951 20.03568
169.0772 21.04531
169.5593 22.34503
170.0414 24.22742
170.5236 26.53061
171.0057 28.92176
171.4878 31.29142
171.9699 33.76269
172.4520 36.52407
172.9341 39.55614
173.4163 42.45329
173.8984 45.47333
174.3805 48.11744
174.8626 49.48989
175.3447 48.79916
175.8268 46.96537
176.3090 44.74799
176.7911 42.16100
177.2732 39.65757
177.7553 37.45176
178.2374 35.41852
178.7195 33.50204
179.2017 31.80629
179.6838 30.17222
180.1659 28.31481
180.6480 26.19736
181.1301 24.12981
181.6122 22.36660
182.0944 20.86757
182.5765 19.54308
183.0586 18.34700
183.5407 17.29255
184.0228 16.36432
184.5049 15.57850
184.9871 14.86606
185.4692 14.11840
185.9513 13.35022
186.4334 12.70637
186.9155 12.35024
187.3976 12.18623
187.8798 11.84730
188.3619 11.27511
188.8440 10.67177
189.3261 10.38034
189.8082 10.37949
190.2903 10.35523
190.7725 10.09976
191.2546 9.660230
191.7367 9.334839
192.2188 9.154805
192.7009 9.035522
193.1830 8.851894
193.6652 8.604145
194.1473 8.343102
194.6294 8.055969
195.1115 7.754299
195.5936 7.602304
196.0757 7.636507
196.5579 7.775528
197.0400 7.862720
197.5221 7.890448
198.0042 7.927845
198.4863 7.995453
198.9684 8.090176
199.4506 8.305422
199.9327 8.722631
200.4148 9.166651
200.8969 9.152197
201.3790 8.581978
201.8611 8.090118
202.3433 8.127243
202.8254 8.747263
203.3075 9.165735
203.7896 9.284227
204.2717 9.196978
204.7538 9.099649
205.2360 8.949486
205.7181 8.864248
206.2002 8.920366
206.6823 9.166195
207.1644 9.392460
207.6465 9.614710
208.1287 9.814234
208.6108 9.932049
209.0929 9.946194
209.5750 9.924936
210.0571 9.859434
210.5392 9.689634
211.0214 9.742466
211.5035 10.09432
211.9856 10.67155
212.4677 11.22721
212.9498 11.74112
213.4319 12.28085
213.9140 12.90404
214.3962 13.63848
214.8783 14.36220
215.3604 15.05304
215.8425 15.72688
216.3246 16.43646
216.8067 17.25819
217.2889 17.98356
217.7710 18.49064
218.2531 18.74935
218.7352 18.90893
219.2173 19.10779
219.6994 19.21898
220.1816 18.58589
220.6637 16.88923
221.1458 14.98956
221.6279 13.45664
222.1100 12.44672
222.5921 11.33967
223.0743 9.979122
223.5564 8.477764
224.0385 7.323908
224.5206 6.658560
225.0027 6.151623
225.4848 5.597626
225.9670 4.923899
226.4491 4.396105
226.9312 4.079782
227.4133 3.928976
227.8954 3.700739
228.3775 3.334074
228.8597 2.982889
229.3418 2.761389
229.8239 2.768627
230.3060 2.665989
230.7881 2.361181
231.2702 1.918201
231.7524 1.663797
232.2345 1.693050
232.7166 1.776056
233.1987 1.771967
233.6808 1.613749
234.1629 1.522028
234.6451 1.563404
235.1272 1.685196
235.6093 1.654770
236.0914 1.418262
236.5735 1.104383
237.0556 0.7538740
237.5378 0.2425580
238.0199 1.5921000E-02
238.5020 0.1357800
238.9841 0.5611630
239.4662 0.6770710
239.9483 0.2924690
240.4305 0.1379550
240.9126 0.3609290
241.3947 0.2332630
241.8768 0.2231580
242.3589 0.4355070
242.8410 0.7746070
243.3232 0.8794480
243.8053 0.5868850
244.2874 0.2841280
244.7695 0.1918580
245.2516 0.4766770
245.7337 0.5911030
246.2159 0.4532340
246.6980 0.1426140
247.1801 9.0172000E-02
247.6622 0.2541500
248.1443 0.3305890
248.6264 0.2671380
249.1086 0.1157250
249.5907 0.1858630
250.0728 0.2310540
250.5549 0.9203130
251.0370 1.292673
251.5191 1.192516
252.0013 1.024162
252.4834 0.9510800
252.9655 0.9700070
253.4476 1.103567
253.9297 1.412825
254.4118 1.809345
254.8940 2.079348
255.3761 2.101631
255.8582 2.214411
256.3403 2.616655
256.8224 3.491856
257.3046 4.024872
257.7867 4.089033
258.2688 3.886440
258.7509 3.780607
259.2330 3.740913
259.7151 3.860592
260.1973 4.233038
260.6794 4.947041
261.1615 5.448135
261.6436 5.587421
262.1257 5.636433
262.6078 6.068914
263.0900 6.983410
263.5721 8.038731
264.0542 9.127008
264.5363 10.26918
265.0184 11.40126
265.5005 12.52739
265.9827 13.66302
266.4648 14.83821
266.9469 16.01913
267.4290 17.31707
267.9111 18.80876
268.3932 20.50129
268.8754 22.21152
269.3575 24.04666
269.8396 25.73120
270.3217 26.91681
270.8038 27.59771
271.2859 27.77860
271.7681 27.34955
272.2502 26.33419
272.7323 25.36324
273.2144 24.48297
273.6965 23.58435
274.1786 22.45043
274.6608 20.95603
275.1429 19.86320
275.6250 19.41528
276.1071 19.54327
276.5892 19.72802
277.0714 19.94557
277.5535 20.27912
278.0356 20.84255
278.5177 21.65728
278.9998 22.46109
279.4819 23.12189
279.9641 23.74353
280.4462 24.78519
280.9283 26.31515
281.4104 28.03616
281.8925 29.68230
282.3746 31.24422
282.8568 33.08464
283.3389 35.40944
283.8210 37.95185
284.3031 39.97163
284.7852 41.45339
285.2673 42.60875
285.7495 43.66532
286.2316 44.59633
286.7137 45.07111
287.1958 45.09514
287.6779 44.57406
288.1600 43.18816
288.6422 40.92890
289.1243 38.31002
289.6064 35.57877
290.0885 32.74977
290.5706 30.02618
291.0527 27.42320
291.5349 24.93521
292.0170 22.44033
292.4991 19.98870
292.9812 17.90300
293.4633 16.58675
293.9454 15.80650
294.4276 14.81333
294.9097 13.53822
295.3918 12.23137
295.8739 11.12373
296.3560 10.23306
296.8381 9.589493
297.3203 9.364899
297.8024 9.377571
298.2845 9.228210
298.7666 8.891689
299.2487 8.549540
299.7308 8.290871
300.2130 8.145964
300.6951 8.214092
301.1772 8.630642
301.6593 9.255329
302.1414 9.798040
302.6235 10.25603
303.1057 10.96045
303.5878 12.32828
304.0699 14.13691
304.5520 15.94078
305.0341 17.55724
305.5162 19.12444
305.9984 20.87068
306.4805 22.74565
306.9626 24.51949
307.4447 25.97620
307.9268 27.24769
308.4089 28.44029
308.8911 29.45065
309.3732 30.59647
309.8553 32.29549
310.3374 34.38042
310.8195 36.32405
311.3016 37.55878
311.7838 38.62891
312.2659 40.00959
312.7480 41.76996
313.2301 43.89315
313.7122 46.34394
314.1943 49.17048
314.6765 52.42340
315.1586 56.07753
315.6407 60.18332
316.1228 64.84856
316.6049 70.10552
317.0870 75.75480
317.5692 81.98328
318.0513 88.44768
318.5334 94.63069
319.0155 100.3705
319.4976 105.7954
319.9797 111.3036
320.4619 117.0566
320.9440 121.1319
321.4261 123.3334
321.9082 123.4010
322.3903 121.0633
322.8724 115.9110
323.3546 108.7080
323.8367 98.92739
324.3188 86.68484
324.8009 74.63263
325.2830 62.36678
325.7651 51.05011
326.2473 41.47311
326.7294 34.30180
327.2115 28.18318
327.6936 23.21076
328.1757 19.30260
328.6578 15.82044
329.1400 12.69674
329.6221 10.03662
330.1042 7.862900
330.5863 6.226843
331.0684 5.000719
331.5505 4.406860
332.0327 4.186531
332.5148 3.763252
332.9969 2.920712
333.4790 2.161671
333.9611 1.669876
334.4432 1.529833
334.9254 1.305143
335.4075 0.9337920
335.8896 0.5309070
336.3717 0.2781280
336.8538 0.2657470
337.3359 0.1821940
337.8180 0.1080930
338.3001 0.5978430
338.7823 0.8445380
339.2644 0.7664280
339.7465 0.6011370
340.2286 0.5806620
340.7107 0.7270760
341.1928 0.8872220
341.6750 1.039673
342.1571 1.180113
342.6392 1.285994
343.1213 1.358130
343.6034 1.394903
344.0855 1.383842
344.5677 1.327129
345.0498 1.279137
345.5319 1.253151
346.0140 1.227839
346.4961 1.153730
346.9782 1.033134
347.4604 0.9137820
347.9425 0.8344570
348.4246 0.7803170
348.9067 0.6921310
349.3888 0.5595420
349.8709 0.4284110
350.3531 0.3919770
350.8352 0.4153420
351.3173 0.3692820
351.7994 0.1163830
352.2815 0.2139660
352.7636 0.3726270
353.2458 0.3594860
353.7279 0.3639260
354.2100 0.5431480
354.6921 0.8490940
355.1742 1.200352
355.6563 1.594925
356.1385 2.004501
356.6206 2.396515
357.1027 2.779236
357.5848 3.182163
358.0669 3.625153
358.5490 4.100082
359.0312 4.567947
359.5133 4.945595
359.9954 5.502518
360.4775 6.607704
360.9596 8.010998
361.4417 9.162880
361.9239 9.591064
362.4060 9.913570
362.8881 10.48280
363.3702 11.37962
363.8523 12.28698
364.3344 13.04185
364.8166 13.77406
365.2987 14.63918
365.7808 15.67365
366.2629 16.82099
366.7450 18.14254
367.2271 19.63429
367.7093 20.97854
368.1914 22.05311
368.6735 23.02215
369.1556 23.99851
369.6377 24.91045
370.1198 25.89874
370.6020 27.02163
371.0841 28.23136
371.5662 29.36247
372.0483 30.40159
372.5304 31.36057
373.0125 32.23734
373.4947 33.00044
373.9768 33.74731
374.4589 34.46342
374.9410 35.18302
375.4231 36.02330
375.9052 37.16671
376.3874 37.92448
376.8695 37.94352
377.3516 37.25089
377.8337 37.00696
378.3158 37.31337
378.7979 37.77772
379.2801 38.01325
379.7622 38.01268
380.2443 38.01949
380.7264 38.13532
381.2085 38.24390
381.6906 37.89877
382.1728 37.08839
382.6549 36.43294
383.1370 36.44768
383.6191 36.98988
384.1012 37.48135
384.5833 37.83609
385.0655 38.23884
385.5476 38.91940
386.0297 39.85414
386.5118 40.92566
386.9939 42.06904
387.4760 43.33025
387.9582 44.76847
388.4403 46.39725
388.9224 48.21926
389.4045 50.43874
389.8866 52.78210
390.3687 54.87280
390.8509 56.45428
391.3330 57.85741
391.8151 59.35322
392.2972 60.88945
392.7793 62.27799
393.2614 63.66127
393.7436 64.70737
394.2257 65.21154
394.7078 65.13596
395.1899 64.50995
395.6720 63.16325
396.1541 61.27740
396.6363 59.17698
397.1184 56.73566
397.6005 54.31720
398.0826 51.92432
398.5647 49.49761
399.0468 47.55516
399.5290 46.39358
400.0111 45.60144
400.4932 44.84238
400.9753 43.90777
401.4574 43.29262
401.9395 43.10640
402.4217 43.29267
402.9038 43.58638
403.3859 44.00325
403.8680 44.50218
404.3501 45.07882
404.8322 45.74932
405.3144 46.42850
405.7965 47.08543
406.2786 47.77017
406.7607 48.50579
407.2428 49.24726
407.7249 50.33534
408.2071 52.07687
408.6892 54.29268
409.1713 55.76720
409.6534 56.44960
410.1355 56.78068
410.6176 56.93439
411.0998 56.99140
411.5819 57.52349
412.0640 58.81997
412.5461 60.33876
413.0282 61.33369
413.5103 61.81025
413.9925 61.84195
414.4746 61.34000
414.9567 60.46332
415.4388 59.48938
415.9209 58.44588
416.4030 57.17696
416.8852 55.42451
417.3673 53.36740
417.8494 51.29518
418.3315 49.22210
418.8136 47.23495
419.2957 45.37799
419.7779 43.65633
420.2600 41.97933
420.7421 40.37988
421.2242 38.77460
421.7063 37.11781
422.1884 35.21618
422.6706 33.55719
423.1527 32.36781
423.6348 31.47758
424.1169 30.55560
424.5990 29.56779
425.0811 28.51545
425.5633 27.26477
426.0454 25.70636
426.5275 24.72702
427.0096 24.67106
427.4917 24.91125
427.9738 24.92892
428.4560 24.58544
428.9381 24.36842
429.4202 24.34023
429.9023 24.45951
430.3844 24.54485
430.8665 24.54933
431.3487 24.62289
431.8308 24.81329
432.3129 25.13937
432.7950 25.56753
433.2771 26.10703
433.7592 26.73570
434.2414 27.48238
434.7235 28.32992
435.2056 29.11308
435.6877 29.65186
436.1698 30.15222
436.6519 31.17042
437.1341 32.68709
437.6162 34.24306
438.0983 35.44227
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