#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 941 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000412.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_1000412
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 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            R070182.rod
_rod_data_source.block           3500000
_rod_database.code               1000412
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
202.8254 0.0000000E+00
203.3075 4.664063
203.7896 10.89258
204.2717 17.02734
204.7538 26.77344
205.2360 41.50391
205.7181 50.81445
206.2002 45.24023
206.6823 20.77930
207.1644 4.333984
207.6465 0.9648440
208.1287 1.787109
208.6108 4.027344
209.0929 4.574219
209.5750 7.152344
210.0571 15.29297
210.5392 31.35742
211.0214 41.93555
211.5035 44.06445
211.9856 40.81250
212.4677 43.77734
212.9498 56.23242
213.4319 69.04102
213.9140 77.20312
214.3962 80.35938
214.8783 81.47852
215.3604 79.96680
215.8425 76.90820
216.3246 75.83594
216.8067 77.08008
217.2889 79.55273
217.7710 82.67773
218.2531 86.30859
218.7352 90.32617
219.2173 95.18945
219.6994 100.1309
220.1816 100.9707
220.6637 94.41602
221.1458 88.76367
221.6279 89.11133
222.1100 97.00781
222.5921 107.7539
223.0743 125.4473
223.5564 145.8066
224.0385 146.9648
224.5206 115.6797
225.0027 84.46680
225.4848 75.95508
225.9670 103.5820
226.4491 122.7207
226.9312 130.3320
227.4133 127.3633
227.8954 116.6172
228.3775 91.04492
228.8597 68.16016
229.3418 59.48242
229.8239 71.12695
230.3060 82.23242
230.7881 90.26172
231.2702 96.01758
231.7524 103.4414
232.2345 112.7715
232.7166 121.9883
233.1987 129.3164
233.6808 133.0234
234.1629 137.5645
234.6451 144.1543
235.1272 151.5586
235.6093 155.3691
236.0914 155.4141
236.5735 152.1523
237.0556 146.1133
237.5378 138.1367
238.0199 125.9492
238.5020 107.3438
238.9841 84.98438
239.4662 69.70508
239.9483 68.26562
240.4305 65.70117
240.9126 52.97070
241.3947 21.61133
241.8768 0.1269530
242.3589 7.167969
242.8410 3.751953
243.3232 1.712891
243.8053 2.013672
244.2874 2.750000
244.7695 4.248047
245.2516 11.32422
245.7337 8.812500
246.2159 8.763672
246.6980 34.99414
247.1801 47.94531
247.6622 37.33594
248.1443 28.52734
248.6264 36.18164
249.1086 75.68359
249.5907 93.40820
250.0728 78.53320
250.5549 44.41992
251.0370 27.45703
251.5191 36.79297
252.0013 49.63867
252.4834 54.85547
252.9655 45.46484
253.4476 48.82227
253.9297 72.79102
254.4118 106.3340
254.8940 124.0566
255.3761 117.3398
255.8582 109.9492
256.3403 111.9609
256.8224 126.0625
257.3046 139.8184
257.7867 154.2266
258.2688 167.8398
258.7509 177.0156
259.2330 179.8945
259.7151 180.8164
260.1973 181.3320
260.6794 180.1484
261.1615 177.3086
261.6436 170.1582
262.1257 163.6816
262.6078 167.0977
263.0900 183.8770
263.5721 203.2617
264.0542 221.7383
264.5363 239.8672
265.0184 259.3008
265.5005 281.8262
265.9827 305.0762
266.4648 324.3086
266.9469 335.1699
267.4290 355.1172
267.9111 397.4512
268.3932 465.5371
268.8754 497.2305
269.3575 480.2930
269.8396 443.2598
270.3217 422.3379
270.8038 421.4961
271.2859 421.0742
271.7681 412.2188
272.2502 395.1992
272.7323 388.6738
273.2144 395.8770
273.6965 408.4727
274.1786 418.9258
274.6608 427.7129
275.1429 432.6191
275.6250 430.6738
276.1071 422.8105
276.5892 415.9883
277.0714 410.8945
277.5535 408.2422
278.0356 408.6680
278.5177 412.1953
278.9998 417.7129
279.4819 426.2793
279.9641 436.2793
280.4462 440.6543
280.9283 439.3906
281.4104 432.2383
281.8925 418.0801
282.3746 396.9590
282.8568 373.7012
283.3389 348.2090
283.8210 322.6367
284.3031 302.7285
284.7852 289.2188
285.2673 279.7832
285.7495 274.4023
286.2316 273.0508
286.7137 272.2129
287.1958 273.5254
287.6779 272.6406
288.1600 255.7871
288.6422 222.5430
289.1243 193.6504
289.6064 186.4199
290.0885 196.0547
290.5706 198.2363
291.0527 189.1719
291.5349 174.4688
292.0170 161.8555
292.4991 151.0039
292.9812 141.7578
293.4633 135.5820
293.9454 130.9258
294.4276 122.7500
294.9097 110.3594
295.3918 96.51758
295.8739 83.23633
296.3560 71.10742
296.8381 62.47656
297.3203 60.49609
297.8024 62.53711
298.2845 65.04883
298.7666 68.54883
299.2487 67.62891
299.7308 50.80664
300.2130 24.24023
300.6951 5.982422
301.1772 6.685547
301.6593 17.87109
302.1414 30.72656
302.6235 44.81250
303.1057 54.18750
303.5878 49.39648
304.0699 36.99023
304.5520 29.06641
305.0341 34.08203
305.5162 41.25000
305.9984 37.35938
306.4805 24.02930
306.9626 12.52734
307.4447 13.83008
307.9268 20.56250
308.4089 22.67578
308.8911 15.52344
309.3732 6.417969
309.8553 0.7832030
310.3374 5.595703
310.8195 6.203125
311.3016 1.070313
311.7838 8.224609
312.2659 21.85156
312.7480 42.90820
313.2301 60.18359
313.7122 61.31055
314.1943 53.95117
314.6765 54.01562
315.1586 80.81055
315.6407 108.7773
316.1228 118.8359
316.6049 103.0391
317.0870 93.20117
317.5692 114.4219
318.0513 147.7773
318.5334 166.5391
319.0155 145.3398
319.4976 122.2441
319.9797 113.9648
320.4619 122.5625
320.9440 134.1035
321.4261 152.4023
321.9082 167.8359
322.3903 171.1367
322.8724 153.7109
323.3546 130.1172
323.8367 100.3613
324.3188 64.95312
324.8009 34.91602
325.2830 12.31836
325.7651 4.037109
326.2473 14.72656
326.7294 8.658203
327.2115 8.859375
327.6936 22.97266
328.1757 46.48047
328.6578 58.35156
329.1400 44.90430
329.6221 30.16211
330.1042 23.94141
330.5863 30.02734
331.0684 38.55859
331.5505 56.95117
332.0327 76.85742
332.5148 78.63281
332.9969 51.34180
333.4790 22.01758
333.9611 0.1855470
334.4432 10.75391
334.9254 24.91406
335.4075 43.31055
335.8896 62.55273
336.3717 78.69141
336.8538 92.28320
337.3359 99.57617
337.8180 96.69727
338.3001 83.99219
338.7823 81.90430
339.2644 95.33984
339.7465 110.6191
340.2286 114.2656
340.7107 105.1484
341.1928 93.11328
341.6750 78.89258
342.1571 64.09766
342.6392 55.31836
343.1213 53.75391
343.6034 53.13672
344.0855 48.52344
344.5677 40.14258
345.0498 32.94922
345.5319 26.36133
346.0140 23.21680
346.4961 31.66992
346.9782 51.14844
347.4604 69.71094
347.9425 74.11133
348.4246 71.03516
348.9067 88.67383
349.3888 132.0215
349.8709 178.5703
350.3531 196.1055
350.8352 192.0664
351.3173 194.0840
351.7994 218.0176
352.2815 254.0176
352.7636 286.0625
353.2458 313.8984
353.7279 342.0605
354.2100 371.1523
354.6921 403.2949
355.1742 443.1309
355.6563 501.5020
356.1385 558.3633
356.6206 589.0273
357.1027 598.8125
357.5848 613.4570
358.0669 652.1836
358.5490 701.4668
359.0312 748.5879
359.5133 790.7988
359.9954 833.0605
360.4775 879.8516
360.9596 929.4746
361.4417 977.0898
361.9239 1016.033
362.4060 1057.117
362.8881 1106.322
363.3702 1164.906
363.8523 1228.818
364.3344 1299.334
364.8166 1373.643
365.2987 1449.312
365.7808 1523.051
366.2629 1598.586
366.7450 1679.379
367.2271 1765.230
367.7093 1843.738
368.1914 1908.164
368.6735 1968.062
369.1556 2030.248
369.6377 2093.262
370.1198 2158.301
370.6020 2233.658
371.0841 2311.908
371.5662 2366.387
372.0483 2386.725
372.5304 2394.492
373.0125 2397.135
373.4947 2392.574
373.9768 2389.191
374.4589 2392.525
374.9410 2392.666
375.4231 2371.740
375.9052 2322.771
376.3874 2273.701
376.8695 2236.043
377.3516 2209.266
377.8337 2168.754
378.3158 2111.930
378.7979 2049.361
379.2801 1990.670
379.7622 1935.605
380.2443 1885.508
380.7264 1841.266
381.2085 1801.076
381.6906 1759.557
382.1728 1716.564
382.6549 1673.656
383.1370 1630.764
383.6191 1587.643
384.1012 1546.488
384.5833 1506.549
385.0655 1471.730
385.5476 1450.965
386.0297 1439.826
386.5118 1425.869
386.9939 1404.262
387.4760 1377.502
387.9582 1347.205
388.4403 1312.814
388.9224 1279.297
389.4045 1253.477
389.8866 1230.336
390.3687 1203.572
390.8509 1169.684
391.3330 1136.939
391.8151 1112.354
392.2972 1093.355
392.7793 1071.736
393.2614 1043.873
393.7436 1011.838
394.2257 974.8516
394.7078 927.9102
395.1899 888.0605
395.6720 862.9473
396.1541 848.0918
396.6363 836.3711
397.1184 833.8301
397.6005 826.6074
398.0826 806.2832
398.5647 769.9023
399.0468 742.7227
399.5290 735.2695
400.0111 733.4375
400.4932 725.6172
400.9753 698.0684
401.4574 683.3945
401.9395 689.1484
402.4217 711.1309
402.9038 729.0801
403.3859 740.9258
403.8680 751.9609
404.3501 763.8613
404.8322 774.7910
405.3144 793.1758
405.7965 820.7695
406.2786 853.2598
406.7607 884.4199
407.2428 914.3848
407.7249 941.8262
408.2071 965.0938
408.6892 985.0098
409.1713 1004.941
409.6534 1024.814
410.1355 1050.277
410.6176 1087.467
411.0998 1133.869
411.5819 1177.088
412.0640 1213.670
412.5461 1245.973
413.0282 1282.998
413.5103 1322.291
413.9925 1349.201
414.4746 1348.693
414.9567 1332.613
415.4388 1319.150
415.9209 1309.904
416.4030 1300.117
416.8852 1292.299
417.3673 1280.580
417.8494 1255.312
418.3315 1201.406
418.8136 1142.262
419.2957 1089.906
419.7779 1044.906
420.2600 1006.357
420.7421 980.6914
421.2242 958.1582
421.7063 932.1621
422.1884 902.1875
422.6706 866.9629
423.1527 818.8672
423.6348 766.0742
424.1169 723.7656
424.5990 703.9199
425.0811 685.4375
425.5633 659.4609
426.0454 622.9082
426.5275 597.4336
427.0096 586.1016
427.4917 582.5703
427.9738 583.0742
428.4560 593.3828
428.9381 593.6504
429.4202 579.0078
429.9023 552.6680
430.3844 524.9863
430.8665 495.7852
431.3487 467.4141
431.8308 440.2656
432.3129 414.3184
432.7950 394.3125
433.2771 381.4688
433.7592 372.2969
434.2414 362.7871
434.7235 353.1172
435.2056 343.1816
435.6877 331.8008
436.1698 321.3477
436.6519 318.1543
437.1341 322.0410
437.6162 326.2109
438.0983 327.0293
438.5804 324.7188
439.0625 317.5820
439.5446 302.7227
440.0268 292.2070
440.5089 303.6426
440.9910 327.1484
441.4731 342.2852
441.9552 335.1270
442.4373 320.2832
442.9195 302.7051
443.4016 282.9102
443.8837 271.7402
444.3658 280.6602
444.8479 295.5352
445.3300 305.0156
445.8122 302.3945
446.2943 299.6602
446.7764 299.0977
447.2585 300.4180
447.7406 301.0605
448.2227 308.4199
448.7049 307.9824
449.1870 292.7695
449.6691 259.1113
450.1512 235.2520
450.6333 227.7305
451.1154 223.7578
451.5976 210.1152
452.0797 182.8809
452.5618 161.7871
453.0439 153.4805
453.5260 152.0312
454.0081 135.7422
454.4903 102.0332
454.9724 70.94141
455.4545 51.90039
455.9366 44.57617
456.4187 49.31055
456.9008 67.74414
457.3830 87.52539
457.8651 90.86523
458.3472 82.45508
458.8293 77.94336
459.3114 85.96289
459.7935 96.14062
460.2757 92.98633
460.7578 78.94922
461.2399 67.08594
461.7220 69.16016
462.2041 75.18555
462.6862 74.77930
463.1684 64.97656
463.6505 56.70898
464.1326 59.68750
464.6147 66.48047
465.0968 67.82031
465.5789 63.21680
466.0611 51.11328
466.5432 25.70508
467.0253 10.72461
467.5074 37.13477
467.9895 48.84570
468.4716 51.30859
468.9538 45.82617
469.4359 25.82812
469.9180 13.10938
470.4001 10.54102
470.8822 13.56445
471.3643 15.81641
471.8465 18.26367
472.3286 17.95508
472.8107 12.87109
473.2928 4.667969
473.7749 2.091797
474.2570 6.193359
474.7392 11.68359
475.2213 15.35742
475.7034 17.21289
476.1855 16.00391
476.6676 10.27734
477.1497 5.283203
477.6319 11.04688
478.1140 23.93359
478.5961 32.49805
479.0782 28.95312
479.5603 20.03125
480.0424 13.77539
480.5246 9.632813
481.0067 3.667969
481.4888 10.52148
481.9709 25.23828
482.4530 33.25195
482.9352 31.55664
483.4173 26.62891
483.8994 18.39648
484.3815 8.736328
484.8636 0.6328130
485.3457 6.748047
485.8279 11.25000
486.3100 12.02539
486.7921 8.855469
487.2742 3.068359
487.7563 9.050781
488.2384 20.96094
488.7206 28.90820
489.2027 31.56836
489.6848 35.41211
490.1669 42.52148
490.6490 49.25586
491.1311 48.62305
491.6133 39.26562
492.0954 31.29492
492.5775 25.87500
493.0596 24.46875
493.5417 37.11719
494.0238 63.75000
494.5060 86.15234
494.9881 82.85352
495.4702 64.68555
495.9523 61.44141
496.4344 79.16016
496.9165 99.93359
497.3987 107.2891
497.8808 104.7891
498.3629 99.01172
498.8450 86.82812
499.3271 77.47852
499.8092 81.99805
500.2914 97.34375
500.7735 104.9512
501.2556 92.56055
501.7377 74.96680
502.2198 61.69141
502.7019 57.93164
503.1841 48.80469
503.6662 23.55859
504.1483 3.826172
504.6304 16.81445
505.1125 7.457031
505.5946 3.751953
506.0768 15.43359
506.5589 26.57617
507.0410 31.80469
507.5231 28.24023
508.0052 25.89062
508.4873 32.38281
508.9695 47.51758
509.4516 52.03125
509.9337 43.70117
510.4158 32.60352
510.8979 28.53125
511.3800 31.20312
511.8622 41.10156
512.3443 63.63281
512.8264 85.57227
513.3085 84.21875
513.7906 65.99023
514.2728 53.74805
514.7549 76.27539
515.2370 100.3535
515.7191 90.91602
516.2012 43.60547
516.6833 4.687500
517.1655 1.783203
517.6476 13.57812
518.1297 21.83984
518.6118 19.93555
519.0939 18.26367
519.5760 19.34961
520.0582 21.69922
520.5403 21.33203
521.0224 8.816406
521.5045 6.669922
521.9866 24.82031
522.4688 63.15430
522.9509 89.35742
523.4330 100.7148
523.9151 105.9844
524.3972 110.4609
524.8793 113.2363
525.3615 114.0312
525.8436 111.3770
526.3257 113.7871
526.8078 143.6855
527.2899 194.1309
527.7720 226.6113
528.2542 214.9648
528.7363 184.2012
529.2184 166.4551
529.7005 160.0000
530.1826 155.2871
530.6647 145.5547
531.1469 136.3438
531.6290 133.1914
532.1111 138.2324
532.5932 141.7344
533.0753 140.5410
533.5574 136.4062
534.0396 131.0527
534.5217 120.6270
535.0038 115.0898
535.4859 118.3301
535.9680 126.8789
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