#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:32 +0300 (Thu, 26 Apr 2018) $
#$Revision: 578 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100011.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_8100011
loop_
_publ_author_name
'Pfitzner, A.'
'Bernert, T.'
_publ_section_title
;
 The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral
 structures Sample: Cu3As0.3Sb0.7S4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              20
_journal_page_last               26
_journal_volume                  219
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.264 Cu3 S4 Sb0.736'
_chemical_name_mineral           Famatinite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.353
_cell_length_b                   5.353
_cell_length_c                   10.652
_cell_volume                     305.229
_exptl_crystal_density_diffrn    4.660
_cod_original_formula_sum        '(Sb.736 As.264) Cu3 S4'
_cod_database_code               9014420
_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            R110022.rod
_rod_data_source.block           3500000
_rod_database.code               8100011
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 9014420 COD http://www.crystallography.net/cod/9014420.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
176.9043 0.0000000E+00
177.3864 7.0175000E-02
177.8685 4.5530000E-03
178.3506 0.1888310
178.8328 0.7666930
179.3149 1.223888
179.7970 1.412212
180.2791 1.483337
180.7612 1.415081
181.2433 1.105021
181.7255 0.7381650
182.2076 0.4624860
182.6897 0.2974010
183.1718 0.2003140
183.6539 0.1224670
184.1360 0.1040290
184.6181 0.2045460
185.1003 0.4212090
185.5824 0.7620620
186.0645 1.434399
186.5466 2.330957
187.0287 3.024000
187.5108 3.350054
187.9930 3.437973
188.4751 3.481459
188.9572 3.601763
189.4393 3.733044
189.9214 3.482248
190.4035 2.191275
190.8857 1.252316
191.3678 1.065355
191.8499 1.712139
192.3320 2.355785
192.8141 2.962355
193.2962 3.630383
193.7784 3.532948
194.2605 1.636845
194.7426 0.3649650
195.2247 0.9014490
195.7068 2.741192
196.1889 4.196815
196.6711 4.302649
197.1532 3.288034
197.6353 2.469639
198.1174 2.615562
198.5995 2.777954
199.0816 2.797020
199.5638 2.715305
200.0459 2.562675
200.5280 2.228460
201.0101 1.901066
201.4922 2.066975
201.9743 3.246670
202.4565 4.418411
202.9386 4.538662
203.4207 3.575859
203.9028 2.745821
204.3849 3.111431
204.8670 3.866043
205.3492 3.761431
205.8313 2.139551
206.3134 0.1459830
206.7955 0.7057150
207.2776 0.1819440
207.7597 0.3998010
208.2419 0.4204830
208.7240 0.1984200
209.2061 1.3378000E-02
209.6882 4.1085999E-02
210.1703 3.0329000E-02
210.6524 7.3135003E-02
211.1346 0.2022670
211.6167 0.2999380
212.0988 0.4032310
212.5809 0.4318540
213.0630 0.2597600
213.5451 0.1882130
214.0273 0.7551820
214.5094 1.113115
214.9915 1.322803
215.4736 1.158545
215.9557 7.7538997E-02
216.4378 1.114416
216.9200 1.464952
217.4021 0.5192810
217.8842 1.116426
218.3663 1.662973
218.8484 0.2259310
219.3305 1.266367
219.8127 0.3903620
220.2948 1.176432
220.7769 2.072826
221.2590 1.678606
221.7411 0.4828850
222.2232 6.4837001E-02
222.7054 0.9515000
223.1875 1.550043
223.6696 1.264198
224.1517 0.6275270
224.6338 0.2510620
225.1159 0.4057060
225.5980 0.9467180
226.0802 1.461843
226.5623 1.752829
227.0444 2.260572
227.5265 3.323582
228.0086 4.535755
228.4907 5.257423
228.9729 5.192263
229.4550 4.748953
229.9371 5.015692
230.4192 6.510187
230.9013 7.854588
231.3834 9.062618
231.8656 9.944004
232.3477 10.02191
232.8298 9.001949
233.3119 7.551336
233.7940 7.232576
234.2761 8.427738
234.7583 9.525003
235.2404 10.05158
235.7225 10.21264
236.2046 10.39996
236.6867 10.77927
237.1688 11.13161
237.6510 10.93791
238.1331 10.06982
238.6152 9.502556
239.0973 9.675732
239.5794 10.37428
240.0615 11.23605
240.5437 12.31312
241.0258 13.21413
241.5079 13.27281
241.9900 12.50586
242.4721 11.85815
242.9542 11.90469
243.4364 12.37005
243.9185 12.52739
244.4006 12.15827
244.8827 11.59390
245.3648 11.07006
245.8469 10.59745
246.3290 10.36571
246.8112 10.79713
247.2933 11.57282
247.7754 11.61295
248.2575 10.38716
248.7396 9.070852
249.2217 8.664461
249.7039 8.947111
250.1860 9.201101
250.6681 8.989212
251.1502 8.432085
251.6323 8.008966
252.1144 7.903057
252.5966 7.629707
253.0787 6.734037
253.5608 5.504969
254.0429 4.605848
254.5250 4.509853
255.0071 5.045231
255.4893 5.581255
255.9714 6.184618
256.4535 6.663210
256.9356 6.931089
257.4177 7.042112
257.8998 7.063419
258.3820 6.965679
258.8641 6.834139
259.3462 7.030668
259.8283 7.926104
260.3104 8.522388
260.7925 8.296551
261.2747 7.688587
261.7568 7.289722
262.2389 7.419445
262.7210 7.887531
263.2031 8.140900
263.6852 8.077671
264.1674 7.940126
264.6495 7.789673
265.1316 7.645582
265.6137 7.372673
266.0958 6.868214
266.5779 6.316652
267.0601 6.242531
267.5422 7.181915
268.0243 7.636156
268.5064 7.069721
268.9885 6.164602
269.4706 5.478037
269.9528 5.212202
270.4349 5.287323
270.9170 5.611656
271.3991 6.450327
271.8812 6.998222
272.3633 7.032158
272.8455 6.915623
273.3276 6.954714
273.8097 7.210609
274.2918 7.429579
274.7739 7.379215
275.2560 7.155590
275.7382 6.625708
276.2202 5.555159
276.7024 4.381914
277.1845 3.212790
277.6666 2.238106
278.1487 1.554371
278.6308 1.348244
279.1129 1.783855
279.5951 2.144068
280.0772 2.611786
280.5593 2.871431
281.0414 2.613270
281.5235 1.931049
282.0056 1.214281
282.4878 0.8200550
282.9699 0.7594180
283.4520 0.9665490
283.9341 1.673502
284.4162 2.382795
284.8983 3.107199
285.3805 3.689844
285.8626 3.729986
286.3447 2.805935
286.8268 0.9519960
287.3089 0.1246780
287.7910 1.085867
288.2732 2.160641
288.7553 3.023129
289.2374 3.645903
289.7195 3.996546
290.2016 4.023813
290.6837 3.831345
291.1659 4.016220
291.6480 4.935163
292.1301 5.809599
292.6122 6.294355
293.0943 6.714697
293.5764 7.641178
294.0586 9.360016
294.5407 11.47700
295.0228 12.92976
295.5049 12.39909
295.9870 12.82307
296.4691 14.87631
296.9513 17.68841
297.4334 20.38077
297.9155 22.65265
298.3976 24.72459
298.8797 26.93635
299.3618 29.18700
299.8440 31.84896
300.3261 35.06066
300.8082 38.56423
301.2903 42.03933
301.7724 45.47040
302.2545 49.35775
302.7367 54.42661
303.2188 61.15911
303.7009 67.14925
304.1830 71.85641
304.6651 76.36077
305.1472 81.72594
305.6294 87.73351
306.1115 93.02474
306.5936 96.32316
307.0757 97.50216
307.5578 99.09487
308.0399 101.3511
308.5221 103.6931
309.0042 106.0744
309.4863 108.3573
309.9684 110.1537
310.4505 111.1371
310.9326 111.4793
311.4148 112.3625
311.8969 114.6879
312.3790 116.4405
312.8611 116.6439
313.3432 116.0477
313.8253 116.0463
314.3075 117.3194
314.7896 119.0958
315.2717 119.7372
315.7538 119.0098
316.2359 117.5693
316.7180 115.2125
317.2001 112.2736
317.6823 109.1336
318.1644 105.8470
318.6465 102.3092
319.1286 98.48533
319.6107 94.32971
320.0928 89.97314
320.5750 85.45222
321.0571 80.70474
321.5392 75.57102
322.0213 70.07176
322.5034 64.45288
322.9855 59.00347
323.4677 53.68748
323.9498 48.59656
324.4319 43.34368
324.9140 38.54795
325.3961 34.53960
325.8782 31.25109
326.3604 28.37825
326.8425 25.72415
327.3246 23.29804
327.8067 21.16481
328.2888 18.98360
328.7709 17.42135
329.2531 16.99764
329.7352 17.25357
330.2173 17.51057
330.6994 17.45826
331.1815 17.15948
331.6636 16.72104
332.1458 15.71649
332.6279 14.88423
333.1100 13.95600
333.5921 13.41669
334.0742 14.08557
334.5563 15.99381
335.0385 18.04404
335.5206 18.72763
336.0027 17.32928
336.4848 16.43956
336.9669 16.05560
337.4490 16.13302
337.9312 16.85124
338.4133 18.06932
338.8954 19.17989
339.3775 19.57444
339.8596 19.17245
340.3417 19.07304
340.8239 19.46303
341.3060 19.92612
341.7881 20.33673
342.2702 20.70193
342.7523 21.09692
343.2344 21.59553
343.7166 22.08702
344.1987 22.02618
344.6808 20.93531
345.1629 19.84685
345.6450 18.79361
346.1271 17.76092
346.6093 16.76105
347.0914 15.81166
347.5735 14.86040
348.0556 13.76504
348.5377 12.07816
349.0198 11.10290
349.5020 11.31333
349.9841 11.77508
350.4662 11.97985
350.9483 11.81746
351.4304 11.33466
351.9125 10.43397
352.3947 8.974943
352.8768 7.970093
353.3589 7.817820
353.8410 7.721140
354.3231 7.331102
354.8052 6.781778
355.2874 6.428114
355.7695 6.485676
356.2516 6.885681
356.7337 7.158697
357.2158 7.518560
357.6979 7.422825
358.1800 6.192591
358.6621 4.733337
359.1443 4.263275
359.6264 5.242714
360.1085 6.642775
360.5906 6.359449
361.0727 3.345728
361.5548 1.399145
362.0370 1.487467
362.5191 2.236101
363.0012 3.081104
363.4833 3.839348
363.9654 4.304262
364.4475 4.149263
364.9297 3.323048
365.4118 2.730267
365.8939 2.338057
366.3760 2.256359
366.8581 2.953039
367.3402 3.969149
367.8224 4.307400
368.3045 3.106876
368.7866 1.051214
369.2687 0.3730600
369.7508 1.996134
370.2329 2.942719
370.7151 1.260277
371.1972 1.087933
371.6793 2.085180
372.1614 1.057332
372.6435 0.7189430
373.1256 1.881651
373.6078 2.431124
374.0899 2.305645
374.5720 0.6471520
375.0541 0.9391980
375.5362 1.061728
376.0183 0.1654850
376.5005 1.351685
376.9826 1.517633
377.4647 0.9004460
377.9468 0.3258300
378.4289 0.2349740
378.9110 0.5659290
379.3932 0.3096880
379.8753 0.2485690
380.3574 0.5340690
380.8395 5.8995001E-02
381.3216 0.4826550
381.8037 2.0850001E-02
382.2859 1.601879
382.7680 2.675291
383.2501 2.246201
383.7322 1.086243
384.2143 0.4481960
384.6964 0.4296830
385.1786 0.6868280
385.6607 1.233427
386.1428 1.912843
386.6249 2.328749
387.1070 2.407611
387.5891 2.145917
388.0713 1.192318
388.5534 0.3713620
389.0355 1.203426
389.5176 0.2094760
389.9997 1.126896
390.4818 1.071221
390.9640 0.3759390
391.4461 1.621849
391.9282 1.499204
392.4103 0.2696960
392.8924 0.4934700
393.3745 0.5601570
393.8567 0.4600320
394.3388 0.1153830
394.8209 0.2205050
395.3030 0.1400660
395.7851 1.546513
396.2672 3.190803
396.7494 3.581974
397.2315 1.991868
397.7136 0.8518650
398.1957 0.2522180
398.6778 0.1390950
399.1599 0.8117510
399.6420 2.104518
400.1241 3.095458
400.6063 2.906327
401.0884 1.490892
401.5705 0.4331830
402.0526 0.2861950
402.5347 0.6899300
403.0168 0.6532510
403.4990 0.3311150
403.9811 6.1962001E-02
404.4632 0.4233900
404.9453 0.7615750
405.4274 1.107877
405.9095 1.590775
406.3917 1.844270
406.8738 1.841410
407.3559 1.646642
407.8380 1.108428
408.3201 0.3344040
408.8022 0.2059360
409.2844 2.2969000E-02
409.7665 1.077555
410.2486 2.024564
410.7307 3.381501
411.2128 4.006147
411.6949 2.961503
412.1771 1.183513
412.6592 0.2986260
413.1413 1.265943
413.6234 3.024510
414.1055 3.373302
414.5876 1.840998
415.0698 0.5541860
415.5519 1.4967000E-02
416.0340 0.1371460
416.5161 0.1792760
416.9982 0.8882790
417.4803 1.607421
417.9625 1.911966
418.4446 1.893869
418.9267 2.293246
419.4088 3.518337
419.8909 4.500139
420.3730 4.356215
420.8552 3.501378
421.3373 2.745042
421.8194 2.380414
422.3015 2.207343
422.7836 2.019565
423.2657 1.818273
423.7479 1.592258
424.2300 1.237677
424.7121 0.9063900
425.1942 0.8813790
425.6763 1.193417
426.1584 1.640741
426.6406 2.326541
427.1227 3.039186
427.6048 3.348335
428.0869 3.161592
428.5690 2.875216
429.0511 2.741107
429.5333 2.766863
430.0154 3.116743
430.4975 4.438980
430.9796 5.394440
431.4617 4.839191
431.9438 3.313693
432.4260 2.279049
432.9081 2.426062
433.3902 3.286837
433.8723 3.752035
434.3544 3.616049
434.8365 3.247976
435.3187 2.262597
435.8008 1.312389
436.2829 1.002108
436.7650 1.318289
437.2471 1.897974
437.7292 2.388372
438.2114 2.778964
438.6935 3.039418
439.1756 3.103004
439.6577 3.107824
440.1398 3.069852
440.6219 2.950669
441.1040 2.639666
441.5862 2.104617
442.0683 1.575566
442.5504 1.515473
443.0325 2.104245
443.5146 2.610338
443.9967 3.084323
444.4789 3.364228
444.9610 3.266175
445.4431 2.864672
445.9252 2.420908
446.4073 2.016002
446.8894 1.676006
447.3716 1.781623
447.8537 2.493009
448.3358 3.083632
448.8179 2.988234
449.3000 2.625454
449.7821 2.638965
450.2643 3.286942
450.7464 3.979046
451.2285 4.286048
451.7106 4.224936
452.1927 3.738097
452.6748 2.545651
453.1570 1.486530
453.6391 1.555958
454.1212 2.510402
454.6033 3.368509
455.0854 4.188037
455.5675 4.605537
456.0497 3.857989
456.5318 2.240363
457.0139 1.374262
457.4960 2.100644
457.9781 3.793156
458.4602 4.469095
458.9424 3.669022
459.4245 3.009794
459.9066 2.837832
460.3887 2.862962
460.8708 2.781809
461.3529 2.577271
461.8351 2.474488
462.3172 2.705802
462.7993 3.291791
463.2814 3.635382
463.7635 3.768225
464.2456 3.593487
464.7278 2.623378
465.2099 1.475785
465.6920 1.182507
466.1741 2.096306
466.6562 3.295850
467.1383 3.104939
467.6205 0.7391230
468.1026 0.5360420
468.5847 0.7056570
469.0668 1.875093
469.5489 1.459072
470.0310 4.5173999E-02
470.5132 1.089987
470.9953 0.5128990
471.4774 1.023425
471.9595 1.862592
472.4416 1.865889
472.9237 1.666615
473.4059 1.194774
473.8880 0.8022840
474.3701 0.9337050
474.8522 1.660360
475.3343 2.314625
475.8164 2.411278
476.2986 2.120506
476.7807 1.814980
477.2628 1.509890
477.7449 1.342767
478.2270 1.526873
478.7091 1.948079
479.1913 2.122779
479.6734 1.976374
480.1555 1.733987
480.6376 0.9955300
481.1197 0.1448200
481.6018 2.2538999E-02
482.0839 0.7792300
482.5660 1.906847
483.0482 2.480384
483.5303 2.330289
484.0124 2.200321
484.4945 2.197346
484.9766 2.108006
485.4587 1.547537
485.9409 0.8096010
486.4230 0.6752040
486.9051 1.628770
487.3872 3.179894
487.8693 3.855344
488.3514 3.020281
488.8336 2.496350
489.3157 2.536979
489.7978 2.783473
490.2799 3.114891
490.7620 3.459147
491.2441 3.647113
491.7263 3.583339
492.2084 3.269192
492.6905 2.543843
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