#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:47:29 +0300 (Thu, 24 May 2018) $
#$Revision: 773 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000271.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_1000271
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 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            R080118.rod
_rod_data_source.block           3500000
_rod_database.code               1000271
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
150.6896 0.0000000E+00
151.1718 0.8492430
151.6539 0.9623410
152.1360 1.901794
152.6181 0.1554570
153.1002 1.365723
153.5823 1.200745
154.0645 1.274475
154.5466 4.787598
155.0287 8.718079
155.5108 13.88519
155.9929 18.37445
156.4750 20.80951
156.9572 21.90131
157.4393 24.54498
157.9214 30.73737
158.4035 37.82941
158.8856 44.18817
159.3677 48.26843
159.8499 52.76746
160.3320 58.65283
160.8141 65.67822
161.2962 72.47711
161.7783 78.19623
162.2604 83.58228
162.7426 89.25043
163.2247 96.04950
163.7068 102.5805
164.1889 107.8885
164.6710 112.0204
165.1531 116.5991
165.6353 122.5247
166.1174 129.2449
166.5995 136.1662
167.0816 143.0939
167.5637 150.1204
168.0458 157.3701
168.5280 164.7640
169.0101 172.2156
169.4922 179.3920
169.9743 186.5489
170.4564 193.9990
170.9385 202.1827
171.4207 210.5229
171.9028 218.5649
172.3849 226.2504
172.8670 233.7287
173.3491 241.4637
173.8312 249.1187
174.3134 256.0751
174.7955 261.5040
175.2776 266.2416
175.7597 271.1415
176.2418 276.2783
176.7239 281.6768
177.2061 287.9301
177.6882 294.6854
178.1703 300.8476
178.6524 305.8676
179.1345 310.0508
179.6166 313.4518
180.0988 315.8680
180.5809 318.6806
181.0630 323.8932
181.5451 331.0546
182.0272 338.1040
182.5093 342.9320
182.9915 346.9808
183.4736 354.0652
183.9557 364.9874
184.4378 377.1527
184.9199 387.5198
185.4020 396.0752
185.8842 404.1305
186.3663 412.0037
186.8484 419.8528
187.3305 428.1987
187.8126 437.4659
188.2947 446.4809
188.7769 453.2697
189.2590 457.9094
189.7411 461.8741
190.2232 466.3115
190.7053 470.9691
191.1874 474.3106
191.6696 476.1860
192.1517 476.8494
192.6338 476.8265
193.1159 476.1353
193.5980 474.4308
194.0801 471.3833
194.5623 467.1996
195.0444 463.4427
195.5265 460.3857
196.0086 457.5447
196.4907 453.2820
196.9728 447.4777
197.4550 441.1469
197.9371 434.8890
198.4192 428.6467
198.9013 421.4400
199.3834 413.0725
199.8655 404.0090
200.3477 394.8589
200.8298 385.6948
201.3119 376.2201
201.7940 365.7850
202.2761 354.2006
202.7582 344.0643
203.2404 336.2633
203.7225 329.5782
204.2046 320.3375
204.6867 307.9398
205.1688 295.0387
205.6509 283.4706
206.1331 273.3972
206.6152 263.1656
207.0973 252.5119
207.5794 241.6740
208.0615 231.4294
208.5436 221.2120
209.0258 211.1787
209.5079 201.0291
209.9900 190.6284
210.4721 180.8121
210.9542 171.6083
211.4363 163.0479
211.9185 155.2803
212.4006 148.6544
212.8827 141.9117
213.3648 134.2383
213.8469 125.0649
214.3290 116.7251
214.8112 109.4425
215.2933 103.1205
215.7754 97.16656
216.2575 91.49481
216.7396 86.31628
217.2217 81.90845
217.7038 78.60089
218.1860 75.06580
218.6681 71.15314
219.1502 66.98480
219.6323 63.06433
220.1144 59.53125
220.5965 56.08154
221.0787 52.50427
221.5608 48.55225
222.0429 45.20605
222.5250 42.65759
223.0071 40.75909
223.4892 39.07123
223.9714 37.56256
224.4535 36.30212
224.9356 35.38818
225.4177 35.14270
225.8998 34.47400
226.3819 33.19501
226.8641 31.46576
227.3462 29.87610
227.8283 28.41016
228.3104 27.09808
228.7925 25.99677
229.2746 25.19061
229.7568 24.35370
230.2389 23.53400
230.7210 22.64709
231.2031 21.48370
231.6852 20.04883
232.1673 18.32666
232.6495 16.28680
233.1316 13.75769
233.6137 11.27179
234.0958 8.757874
234.5779 6.347107
235.0600 4.556824
235.5422 3.966431
236.0243 3.124268
236.5064 1.262024
236.9885 2.415222
237.4706 5.347778
237.9527 7.382751
238.4349 8.669189
238.9170 9.478210
239.3991 9.517273
239.8812 9.521667
240.3633 9.900574
240.8454 11.15436
241.3276 11.48431
241.8097 10.41266
242.2918 8.581787
242.7739 7.408264
243.2560 7.190674
243.7381 7.167603
244.2203 7.097046
244.7024 7.051331
245.1845 6.750916
245.6666 6.205811
246.1487 5.397949
246.6308 4.230469
247.1130 2.374268
247.5951 0.7036740
248.0772 0.3181150
248.5593 0.2838130
249.0414 1.187561
249.5235 3.717834
250.0057 6.744751
250.4878 8.284180
250.9699 7.339233
251.4520 6.670410
251.9341 7.205505
252.4162 9.169250
252.8984 11.25885
253.3805 13.78894
253.8626 16.20709
254.3447 17.63873
254.8268 17.79974
255.3089 17.56476
255.7911 17.01227
256.2732 16.01660
256.7553 15.71826
257.2374 16.19293
257.7195 17.29675
258.2017 19.04858
258.6838 22.09436
259.1659 24.31915
259.6480 25.03198
260.1301 24.17487
260.6122 23.44293
261.0944 22.71130
261.5765 22.25818
262.0586 22.45770
262.5407 23.57336
263.0228 24.63397
263.5049 25.46063
263.9871 26.05743
264.4692 26.43823
264.9513 26.41248
265.4334 26.47241
265.9155 27.04132
266.3976 28.15991
266.8798 29.73560
267.3619 31.99109
267.8440 34.77118
268.3261 36.55579
268.8082 36.85986
269.2903 37.17969
269.7725 39.01422
270.2546 42.88049
270.7367 45.75214
271.2188 46.88873
271.7009 46.75299
272.1830 47.29413
272.6652 48.62799
273.1473 50.32727
273.6294 52.16785
274.1115 54.17340
274.5936 56.17047
275.0757 58.18158
275.5579 60.14734
276.0400 61.85645
276.5221 63.26935
277.0042 64.56140
277.4863 65.78235
277.9684 66.91479
278.4506 68.15881
278.9327 69.51050
279.4148 71.00391
279.8969 72.90662
280.3790 75.34216
280.8611 77.35260
281.3433 78.28796
281.8254 78.15808
282.3075 78.13763
282.7896 78.28778
283.2717 78.50116
283.7538 78.66675
284.2360 78.79370
284.7181 78.71075
285.2002 78.27667
285.6823 77.52911
286.1644 76.77380
286.6465 76.01538
287.1287 75.28894
287.6108 74.53857
288.0929 73.78015
288.5750 73.40094
289.0571 73.75513
289.5392 74.60132
290.0214 75.03326
290.5035 75.04419
290.9856 74.75140
291.4677 74.20428
291.9498 73.42346
292.4319 72.59387
292.9141 71.74860
293.3962 70.88989
293.8783 70.01294
294.3604 69.13123
294.8425 68.19421
295.3246 66.86572
295.8068 65.40375
296.2889 64.77783
296.7710 65.62598
297.2531 66.96619
297.7352 66.88379
298.2173 65.53644
298.6995 64.30402
299.1816 64.44934
299.6637 65.51038
300.1458 66.48358
300.6279 67.16547
301.1100 67.66736
301.5922 67.86090
302.0743 67.90698
302.5564 68.45490
303.0385 70.41022
303.5206 72.95587
304.0027 74.88147
304.4849 75.92487
304.9670 76.76562
305.4491 77.86194
305.9312 79.21661
306.4133 80.86859
306.8954 83.24493
307.3776 85.75403
307.8597 87.72064
308.3418 89.04065
308.8239 90.28729
309.3060 91.87732
309.7881 93.71692
310.2703 95.70856
310.7524 98.02057
311.2345 100.1466
311.7166 101.5082
312.1987 102.2112
312.6808 103.2156
313.1630 105.3483
313.6451 107.8326
314.1272 109.7960
314.6093 110.1388
315.0914 110.6474
315.5735 112.5524
316.0557 115.5844
316.5378 118.2170
317.0199 119.6211
317.5020 120.4050
317.9841 120.9289
318.4662 120.9881
318.9484 121.3789
319.4305 122.7324
319.9126 124.6801
320.3947 126.2271
320.8768 126.6874
321.3589 126.9563
321.8411 127.4835
322.3232 128.4671
322.8053 129.3954
323.2874 130.3278
323.7695 131.1232
324.2516 131.5559
324.7338 131.0718
325.2159 130.6672
325.6980 130.7753
326.1801 131.6346
326.6622 132.0381
327.1443 131.6752
327.6265 130.9188
328.1086 130.1303
328.5907 129.1966
329.0728 128.3882
329.5549 127.8103
330.0370 127.4754
330.5192 127.1073
331.0013 126.8346
331.4834 126.3800
331.9655 125.5532
332.4476 124.3578
332.9297 122.8023
333.4119 120.7253
333.8940 118.2431
334.3761 116.0534
334.8582 114.3759
335.3403 112.8040
335.8224 111.1513
336.3046 109.3927
336.7867 107.5428
337.2688 105.6979
337.7509 103.6937
338.2330 100.9427
338.7151 97.18958
339.1973 93.53558
339.6794 90.47708
340.1615 88.10910
340.6436 85.30151
341.1257 81.98032
341.6078 78.48071
342.0899 75.25308
342.5721 72.40570
343.0542 69.48453
343.5363 66.30685
344.0184 63.02118
344.5005 60.26202
344.9826 58.14359
345.4648 55.93945
345.9469 52.79880
346.4290 48.83167
346.9111 45.42047
347.3932 42.86316
347.8753 40.87543
348.3575 39.19025
348.8396 37.77148
349.3217 36.15353
349.8038 33.82028
350.2859 31.08728
350.7680 28.77621
351.2502 27.04919
351.7323 25.47324
352.2144 23.50888
352.6965 21.26660
353.1786 19.16150
353.6607 17.63779
354.1429 16.26019
354.6250 14.31485
355.1071 11.75409
355.5892 9.450195
356.0713 8.211914
356.5534 7.642853
357.0356 7.157928
357.5177 6.721802
357.9998 6.142242
358.4819 5.140167
358.9640 3.809937
359.4461 2.733429
359.9283 2.525787
360.4104 2.530273
360.8925 2.144379
361.3746 0.8619380
361.8567 0.1950990
362.3388 0.3429260
362.8210 7.5255997E-02
363.3031 0.2561040
363.7852 0.1365970
364.2673 0.7599490
364.7494 1.560791
365.2315 2.686493
365.7137 3.431091
366.1958 3.259827
366.6779 2.756287
367.1600 2.614105
367.6421 3.774536
368.1242 4.407104
368.6064 3.668762
369.0885 1.442383
369.5706 0.5002140
370.0527 2.036163
370.5348 3.925751
371.0169 4.810089
371.4991 4.162201
371.9812 3.345551
372.4633 2.264954
372.9454 1.078979
373.4275 0.4226990
373.9096 0.6665650
374.3918 0.7913510
374.8739 0.2398990
375.3560 1.198578
375.8381 2.365936
376.3202 3.261353
376.8023 3.881012
377.2845 4.113220
377.7666 3.866394
378.2487 3.740601
378.7308 3.969666
379.2129 4.497345
379.6950 5.015900
380.1772 5.524323
380.6593 6.014435
381.1414 6.395020
381.6235 6.700439
382.1056 7.275879
382.5877 8.294067
383.0699 9.480865
383.5520 10.31531
384.0341 10.82272
384.5162 11.22830
384.9983 11.59897
385.4804 11.98157
385.9626 12.57153
386.4447 13.45901
386.9268 14.16800
387.4089 13.93484
387.8910 13.13928
388.3731 12.65378
388.8553 13.28409
389.3374 14.13544
389.8195 14.15741
390.3016 13.40945
390.7837 12.93732
391.2658 13.85873
391.7480 15.20743
392.2301 15.94174
392.7122 15.28543
393.1943 14.65167
393.6764 14.93552
394.1585 15.80624
394.6407 16.32187
395.1228 15.66138
395.6049 14.96649
396.0870 14.86447
396.5691 15.65488
397.0512 16.31277
397.5334 16.45367
398.0155 16.41843
398.4976 16.63483
398.9797 17.30508
399.4618 18.05222
399.9439 18.87106
400.4261 19.75687
400.9082 20.43073
401.3903 20.60211
401.8724 20.82758
402.3545 21.48840
402.8366 22.81360
403.3188 24.07281
403.8009 25.27786
404.2830 26.37070
404.7651 27.09879
405.2472 27.22772
405.7293 27.65982
406.2115 28.97757
406.6936 31.21628
407.1757 32.69202
407.6578 33.25406
408.1399 33.47360
408.6220 33.95889
409.1042 34.74811
409.5863 35.75763
410.0684 36.99759
410.5505 38.39246
411.0326 39.75357
411.5147 41.09521
411.9969 42.63565
412.4790 44.96066
412.9611 47.57117
413.4432 49.00195
413.9253 48.75735
414.4074 48.48038
414.8896 50.13223
415.3717 53.14050
415.8538 56.13531
416.3359 58.68027
416.8180 60.69461
417.3001 61.80310
417.7823 62.07745
418.2644 62.56509
418.7465 64.22403
419.2286 66.19699
419.7107 67.61804
420.1928 67.62045
420.6750 68.00305
421.1571 69.74857
421.6392 72.38193
422.1213 74.66479
422.6034 76.75198
423.0855 77.95163
423.5677 77.66635
424.0498 75.18384
424.5319 73.92038
425.0140 75.15283
425.4961 77.13541
425.9782 78.21045
426.4604 77.68219
426.9425 77.59909
427.4246 78.33289
427.9067 79.58292
428.3888 80.17679
428.8709 79.96420
429.3531 79.63281
429.8352 79.47012
430.3173 79.44452
430.7994 79.91049
431.2815 81.07352
431.7636 82.25629
432.2458 82.25372
432.7279 81.02753
433.2100 80.00342
433.6921 79.80203
434.1742 80.09808
434.6563 79.70789
435.1385 78.60397
435.6206 77.23267
436.1027 75.89633
436.5848 74.61783
437.0669 73.51016
437.5490 72.72781
438.0312 71.78757
438.5133 69.96210
438.9954 67.50226
439.4775 65.10281
439.9596 62.98343
440.4417 61.20593
440.9239 59.92453
441.4060 59.14224
441.8881 58.40433
442.3702 57.56970
442.8523 56.60672
443.3344 55.46820
443.8166 53.66769
444.2987 52.25803
444.7808 52.27048
445.2629 52.98553
445.7450 52.33319
446.2271 47.77060
446.7093 43.65033
447.1914 41.99765
447.6735 44.08215
448.1556 44.50482
448.6377 42.13293
449.1198 38.88989
449.6020 36.69424
450.0841 36.06149
450.5662 35.42438
451.0483 34.59134
451.5304 33.59543
452.0125 32.51239
452.4947 31.29886
452.9768 30.07483
453.4589 28.86734
453.9410 27.67709
454.4231 26.78259
454.9052 26.26932
455.3874 25.74100
455.8695 24.61621
456.3516 22.96844
456.8337 21.34677
457.3158 19.87845
457.7979 18.56171
458.2801 17.48450
458.7622 16.60730
459.2443 15.62930
459.7264 14.31650
460.2085 12.81195
460.6906 11.25818
461.1728 9.635986
461.6549 8.180298
462.1370 7.250153
462.6191 6.565216
463.1012 5.726349
463.5833 4.143860
464.0655 2.790894
464.5476 2.364075
465.0297 2.723206
465.5118 2.675781
465.9939 1.551880
466.4760 0.1771240
466.9582 0.9960020
467.4403 1.792084
467.9224 2.665283
468.4045 3.769287
468.8866 4.897583
469.3687 5.771606
469.8509 6.385590
470.3330 6.720764
470.8151 6.653961
471.2972 6.244476
471.7793 6.186096
472.2614 6.584076
472.7436 7.022675
473.2257 7.292633
473.7078 7.393829
474.1899 7.011688
474.6720 5.985382
475.1541 4.836548
475.6363 4.416260
476.1184 4.622833
476.6005 4.819916
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