#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:27 +0300 (Thu, 26 Apr 2018) $
#$Revision: 547 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000095.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_1000095
loop_
_publ_author_name
'Edenharter, A.'
'Nowacki, W.'
'Weibel, M.'
_publ_section_title
;
 Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid,
 kein arsenat Locality: synthetic Note: Water positions were not
 determined
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               16
_journal_volume                  57
_journal_year                    1977
_chemical_compound_source        R080118
_chemical_formula_sum            'As22.36 Ca11.84 Fe5.94 Mn3.4 O81.36 Ti6'
_chemical_name_mineral           Cafarsite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.984
_cell_length_b                   15.984
_cell_length_c                   15.984
_cell_volume                     4083.724
_exptl_crystal_density_diffrn    3.462
_cod_original_cell_volume        4083.725
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'As22.36 Ca11.84 Ti6 Fe5.94 Mn3.4 O81.36'
_cod_database_code               9012865
_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            R080118.rod
_rod_data_source.block           3500000
_rod_database.code               1000095
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 9012865 COD http://www.crystallography.net/cod/9012865.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
150.3774 0.0000000E+00
150.8595 1.756104
151.3417 2.356445
151.8238 2.214050
152.3059 0.8569030
152.7880 0.3484800
153.2701 0.8803710
153.7522 0.7369080
154.2344 0.5397340
154.7165 0.9142150
155.1986 4.449860
155.6807 8.973511
156.1628 12.98907
156.6449 15.63992
157.1271 17.49011
157.6092 20.96295
158.0913 26.97424
158.5734 33.25177
159.0555 39.16211
159.5376 44.82031
160.0198 50.57867
160.5019 56.66360
160.9840 62.95236
161.4661 68.93985
161.9482 74.21350
162.4303 79.62491
162.9125 85.77649
163.3946 92.63980
163.8767 99.67062
164.3588 106.6280
164.8409 113.4633
165.3230 120.1388
165.8052 126.3798
166.2873 132.6563
166.7694 139.5670
167.2515 147.3451
167.7336 155.0492
168.2157 161.9676
168.6979 168.6418
169.1800 175.8098
169.6621 183.9298
170.1442 192.6410
170.6263 200.8670
171.1084 207.8480
171.5906 215.5970
172.0727 225.4954
172.5548 236.3251
173.0369 246.3312
173.5190 254.2776
174.0011 260.5044
174.4833 267.7580
174.9654 276.9394
175.4475 286.3932
175.9296 296.0673
176.4117 305.7149
176.8938 315.1654
177.3760 324.3469
177.8581 333.2820
178.3402 340.9559
178.8223 346.4481
179.3044 351.7285
179.7865 357.3917
180.2687 363.4133
180.7508 369.4819
181.2329 375.3120
181.7150 380.9074
182.1971 386.4194
182.6792 391.2914
183.1614 396.5300
183.6435 402.9188
184.1256 410.3956
184.6077 418.0976
185.0898 425.1329
185.5719 431.4717
186.0541 438.7665
186.5362 447.5524
187.0183 457.0078
187.5004 466.7801
187.9825 476.9266
188.4646 486.1903
188.9468 493.0286
189.4289 497.8751
189.9110 502.4263
190.3931 507.8122
190.8752 512.8820
191.3573 515.9041
191.8395 516.6281
192.3216 515.5624
192.8037 513.0453
193.2858 509.2123
193.7679 503.9733
194.2500 496.8469
194.7322 488.2542
195.2143 479.4145
195.6964 470.4464
196.1785 461.0887
196.6606 451.4252
197.1427 441.4338
197.6249 431.4612
198.1070 421.6925
198.5891 411.9154
199.0712 401.5912
199.5533 389.8285
200.0354 378.4435
200.5176 368.6345
200.9997 359.8176
201.4818 350.7220
201.9639 340.3938
202.4460 328.8921
202.9281 317.5370
203.4103 306.6380
203.8924 295.6866
204.3745 284.4280
204.8566 272.9484
205.3387 261.7120
205.8208 251.0861
206.3030 241.0415
206.7851 231.5483
207.2672 223.1601
207.7493 214.7347
208.2314 205.2534
208.7135 195.3432
209.1957 185.4846
209.6778 176.0381
210.1599 166.9682
210.6420 159.0294
211.1241 153.4702
211.6062 147.7824
212.0884 140.1487
212.5705 130.8868
213.0526 121.8834
213.5347 114.8162
214.0168 109.9666
214.4989 105.2715
214.9811 100.8795
215.4632 96.50052
215.9453 91.82388
216.4274 86.86667
216.9095 82.04480
217.3916 77.59399
217.8737 73.59503
218.3559 70.49152
218.8380 69.32141
219.3201 68.36084
219.8022 65.80759
220.2843 61.53162
220.7664 57.36087
221.2486 54.90332
221.7307 53.82654
222.2128 52.73389
222.6949 51.25992
223.1770 49.76663
223.6591 48.65521
224.1413 47.94806
224.6234 47.51599
225.1055 47.33780
225.5876 47.37308
226.0697 47.59756
226.5518 48.12863
227.0340 48.77997
227.5161 49.29892
227.9982 49.68466
228.4803 49.92706
228.9624 49.91263
229.4445 49.77780
229.9267 49.70007
230.4088 49.80365
230.8909 49.95456
231.3730 49.91336
231.8551 49.67664
232.3372 49.24603
232.8194 48.58322
233.3015 47.75848
233.7836 46.93503
234.2657 46.33987
234.7478 45.53345
235.2299 43.35446
235.7121 38.98682
236.1942 34.83337
236.6763 31.80145
237.1584 29.23807
237.6405 26.44351
238.1227 23.09103
238.6048 19.37799
239.0869 15.77341
239.5690 12.10144
240.0511 8.870026
240.5332 6.343872
241.0154 4.152466
241.4975 1.910828
241.9796 0.5523070
242.4617 3.003052
242.9438 4.775757
243.4259 5.323090
243.9081 6.033020
244.3902 7.344543
244.8723 8.735596
245.3544 9.722473
245.8365 10.12234
246.3186 10.06165
246.8008 9.828033
247.2829 9.324982
247.7650 8.766754
248.2471 8.142487
248.7292 7.485168
249.2113 6.836304
249.6935 6.207733
250.1756 5.564026
250.6577 4.835449
251.1398 3.999237
251.6219 3.102112
252.1040 2.102875
252.5862 1.071625
253.0683 9.4848998E-02
253.5504 0.8074040
254.0325 1.725952
254.5146 2.828491
254.9967 4.407593
255.4789 5.588745
255.9610 5.968445
256.4431 6.187103
256.9252 6.816650
257.4073 7.987946
257.8894 9.430634
258.3716 10.80237
258.8537 12.10568
259.3358 13.29984
259.8179 14.44357
260.3000 15.44955
260.7821 16.20718
261.2643 16.70535
261.7464 17.06595
262.2285 17.36789
262.7106 17.55435
263.1927 18.07355
263.6748 19.25168
264.1570 20.55936
264.6391 21.56543
265.1212 22.22281
265.6033 22.68365
266.0854 22.95978
266.5675 22.55231
267.0497 24.12625
267.5318 25.31662
268.0139 26.14401
268.4960 25.50412
268.9781 26.77145
269.4602 27.28183
269.9424 27.76596
270.4245 29.31598
270.9066 28.91565
271.3887 30.45828
271.8708 31.23169
272.3529 32.36371
272.8351 32.73309
273.3172 33.66190
273.7993 35.38492
274.2814 37.41022
274.7635 39.31458
275.2456 41.12894
275.7278 42.77487
276.2099 44.13983
276.6920 45.25037
277.1741 46.28348
277.6562 47.15366
278.1383 48.13171
278.6205 49.73529
279.1026 52.29269
279.5847 54.77942
280.0668 56.44730
280.5489 57.41010
281.0310 58.32422
281.5132 59.42172
281.9953 60.56262
282.4774 61.59918
282.9595 62.55237
283.4416 63.29156
283.9237 63.73334
284.4059 63.89508
284.8880 63.78680
285.3701 63.22977
285.8522 62.65674
286.3343 62.61978
286.8164 63.08807
287.2986 63.40359
287.7807 63.12903
288.2628 62.41302
288.7449 61.79630
289.2270 61.48462
289.7091 61.01791
290.1913 59.82990
290.6734 58.12726
291.1555 56.60107
291.6376 55.72342
292.1197 55.25089
292.6018 54.55533
293.0840 53.53308
293.5661 52.49448
294.0482 51.66818
294.5303 50.97452
295.0124 50.24966
295.4945 49.47064
295.9767 48.61893
296.4588 47.57172
296.9409 46.20523
297.4230 45.11060
297.9051 44.86545
298.3872 44.97934
298.8694 44.87134
299.3515 44.31363
299.8336 43.57727
300.3157 43.03726
300.7978 42.76480
301.2799 42.28552
301.7621 40.96167
302.2442 39.55911
302.7263 38.79877
303.2084 38.85025
303.6905 39.23779
304.1726 39.56516
304.6548 39.85110
305.1369 40.08331
305.6190 40.14609
306.1011 40.23425
306.5832 40.45831
307.0653 40.84818
307.5475 41.49762
308.0296 42.62656
308.5117 44.13464
308.9938 45.19751
309.4759 45.45847
309.9580 45.54129
310.4402 45.78107
310.9223 46.20151
311.4044 46.83978
311.8865 47.72858
312.3686 48.83438
312.8507 50.12350
313.3329 51.89496
313.8150 53.29204
314.2971 53.55725
314.7792 53.20921
315.2613 53.21863
315.7434 54.22589
316.2256 55.67798
316.7077 56.32613
317.1898 55.84589
317.6719 55.51450
318.1540 56.12012
318.6361 57.06152
319.1183 57.64580
319.6004 57.56107
320.0825 57.37790
320.5646 58.02345
321.0467 59.69145
321.5288 60.95230
322.0110 60.90027
322.4931 60.51326
322.9752 60.58139
323.4573 61.24309
323.9394 62.01468
324.4215 62.40054
324.9037 62.40895
325.3858 62.47650
325.8679 62.32567
326.3500 62.20219
326.8321 63.08445
327.3142 63.65850
327.7964 63.93940
328.2785 63.13282
328.7606 63.66636
329.2427 63.62366
329.7248 63.53049
330.2069 64.17267
330.6891 63.38032
331.1712 63.95444
331.6533 63.94394
332.1354 64.16023
332.6175 63.79690
333.0996 63.57597
333.5818 63.87888
334.0639 63.84828
334.5460 63.30955
335.0281 63.37418
335.5102 62.28283
335.9923 62.15334
336.4745 61.72394
336.9566 61.85004
337.4387 62.67934
337.9208 62.58228
338.4029 60.56485
338.8850 57.64241
339.3671 54.68123
339.8492 51.71111
340.3314 49.05202
340.8135 47.07449
341.2956 45.64961
341.7777 44.16687
342.2598 42.49413
342.7419 40.78996
343.2241 39.26297
343.7062 37.85020
344.1883 36.26997
344.6704 34.21477
345.1525 31.91508
345.6346 29.90193
346.1168 28.26859
346.5989 26.75084
347.0810 25.19952
347.5631 23.63573
348.0452 22.07661
348.5273 20.50850
349.0095 18.96220
349.4916 17.37645
349.9737 15.75652
350.4558 14.48155
350.9379 13.83949
351.4200 13.62436
351.9022 13.59520
352.3843 13.99471
352.8664 13.88931
353.3485 12.30626
353.8306 9.613403
354.3127 7.241821
354.7949 5.541962
355.2770 4.354462
355.7591 3.546143
356.2412 3.106384
356.7233 2.659836
357.2054 2.039032
357.6876 1.337967
358.1697 0.7227940
358.6518 0.2274630
359.1339 0.2863620
359.6160 1.030319
360.0981 1.926056
360.5803 2.498764
361.0624 2.458649
361.5445 2.245438
362.0266 2.195831
362.5087 2.300568
362.9908 2.406036
363.4730 2.392792
363.9551 2.346054
364.4372 2.556198
364.9193 3.296799
365.4014 3.821793
365.8835 3.706009
366.3657 3.166351
366.8478 2.605988
367.3299 2.137100
367.8120 1.771225
368.2941 1.566101
368.7762 1.575272
369.2584 1.498001
369.7405 1.256241
370.2226 0.9296110
370.7047 0.5587620
371.1868 0.1600650
371.6689 0.1856540
372.1511 0.3691710
372.6332 0.3830410
373.1153 0.6366120
373.5974 1.389114
374.0795 2.100800
374.5616 2.421844
375.0438 2.486450
375.5259 2.670502
376.0080 3.194748
376.4901 3.949249
376.9722 4.545929
377.4543 4.864410
377.9365 5.182709
378.4186 5.455704
378.9007 5.774048
379.3828 6.295334
379.8649 7.046371
380.3470 7.827393
380.8292 8.343048
381.3113 8.448288
381.7934 8.720795
382.2755 9.301834
382.7576 9.903473
383.2397 10.38948
383.7219 10.74992
384.2040 11.00501
384.6861 11.15210
385.1682 11.20638
385.6503 11.41076
386.1324 12.08486
386.6146 12.55673
387.0967 12.37947
387.5788 12.04541
388.0609 12.30631
388.5430 13.47614
389.0251 14.98784
389.5073 15.64271
389.9894 14.89498
390.4715 14.41440
390.9536 14.56280
391.4357 14.75751
391.9178 14.56126
392.4000 13.98329
392.8821 13.38329
393.3642 13.10043
393.8463 13.14053
394.3284 13.28040
394.8105 13.60762
395.2927 13.93806
395.7748 14.30760
396.2569 14.62067
396.7390 14.69224
397.2211 14.37533
397.7032 13.88252
398.1854 13.74308
398.6675 14.12279
399.1496 14.34959
399.6317 14.08421
400.1138 13.68563
400.5959 13.36272
401.0781 13.15775
401.5602 13.13692
402.0423 13.50501
402.5244 14.20650
403.0065 14.58376
403.4886 14.35715
403.9708 14.08873
404.4529 14.10281
404.9350 14.37622
405.4171 14.87048
405.8992 15.76344
406.3813 16.76769
406.8635 17.35079
407.3456 17.46567
407.8277 17.70782
408.3098 18.49862
408.7919 19.57376
409.2740 20.46854
409.7562 21.12830
410.2383 21.68919
410.7204 21.97049
411.2025 22.14214
411.6846 22.97269
412.1667 24.92969
412.6489 26.97943
413.1310 27.55988
413.6131 26.71376
414.0952 26.34898
414.5773 27.01810
415.0594 28.10916
415.5416 29.18830
416.0237 30.19855
416.5058 31.06291
416.9879 31.73935
417.4700 32.19325
417.9521 32.32990
418.4343 31.83826
418.9164 31.57159
419.3985 31.89620
419.8806 32.54051
420.3627 33.12324
420.8448 33.52699
421.3270 33.84030
421.8091 34.18622
422.2912 34.56626
422.7733 34.86777
423.2554 35.12674
423.7375 35.34131
424.2197 35.42050
424.7018 35.43940
425.1839 35.63467
425.6660 36.20613
426.1481 37.05519
426.6302 37.58418
427.1124 37.36963
427.5945 37.36136
428.0766 37.78670
428.5587 38.41941
429.0408 39.03839
429.5229 39.57072
430.0051 40.09215
430.4872 40.80865
430.9693 41.90039
431.4514 42.49948
431.9335 42.04634
432.4156 41.53200
432.8978 41.30573
433.3799 41.34119
433.8620 41.49147
434.3441 41.67476
434.8262 41.89348
435.3083 42.19498
435.7905 42.66437
436.2726 42.96878
436.7547 42.97632
437.2368 42.77881
437.7189 42.42294
438.2010 41.91281
438.6832 41.27763
439.1653 40.48892
439.6474 39.57913
440.1295 38.66490
440.6116 37.66542
441.0938 36.85593
441.5759 36.60339
442.0580 36.74670
442.5401 36.82094
443.0222 36.94229
443.5043 36.76819
443.9865 35.78419
444.4686 34.07402
444.9507 32.38461
445.4328 31.04642
445.9149 29.97202
446.3970 28.96376
446.8792 28.01041
447.3613 27.13744
447.8434 26.37825
448.3255 25.67918
448.8076 24.95720
449.2897 24.20139
449.7719 23.52371
450.2540 23.06996
450.7361 22.86115
451.2182 22.34369
451.7003 21.41295
452.1824 20.35149
452.6646 19.08287
453.1467 17.79074
453.6288 16.80702
454.1109 16.27522
454.5930 15.98637
455.0751 15.51506
455.5573 14.70827
456.0394 14.01488
456.5215 13.69325
457.0036 13.25752
457.4857 12.28235
457.9678 10.89124
458.4500 9.563751
458.9321 8.677826
459.4142 8.164124
459.8963 7.603806
460.3784 6.993103
460.8605 6.347519
461.3427 5.660034
461.8248 4.937775
462.3069 4.187378
462.7890 3.413345
463.2711 2.624695
463.7532 1.739578
464.2354 0.7837070
464.7175 0.2055510
465.1996 0.2812350
465.6817 0.3748170
466.1638 1.7685000E-02
466.6459 0.7401120
467.1281 1.428925
467.6102 2.171570
468.0923 2.644775
468.5744 2.189774
469.0565 0.9299620
469.5386 0.2133030
470.0208 0.7173000
470.5029 1.846085
470.9850 2.599136
471.4671 2.993286
471.9492 3.124237
472.4313 2.902084
472.9135 2.494110
473.3956 2.059341
473.8777 1.618881
474.3598 1.135086
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