#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:54:01 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1001 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000458.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_1000458
loop_
_publ_author_name
'Kyono, A.'
'Kimata, M.'
_publ_section_title
;
 Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2):
 Structural relationship of stereochemical activity between chalcostibite
 and emplectite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              162
_journal_page_last               165
_journal_paper_doi               10.2138/am.2005.1585
_journal_volume                  90
_journal_year                    2005
_chemical_compound_source        R060262
_chemical_formula_sum            'Cu S2 Sb'
_chemical_name_mineral           Chalcostibite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.018
_cell_length_b                   3.7958
_cell_length_c                   14.495
_cell_volume                     331.111
_exptl_crystal_density_diffrn    5.004
_cod_original_formula_sum        'Cu Sb S2'
_cod_database_code               9003580
_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            R060262.rod
_rod_data_source.block           3500000
_rod_database.code               1000458
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 9003580 COD http://www.crystallography.net/cod/9003580.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
138.2217 0.0000000E+00
138.7039 2.476774
139.1860 3.736033
139.6681 0.1750420
140.1502 0.2683550
140.6323 3.362274
141.1144 6.801679
141.5966 8.217193
142.0787 6.987280
142.5608 6.488250
143.0429 7.217310
143.5250 8.382336
144.0071 7.821669
144.4893 3.877928
144.9714 0.8906290
145.4535 1.166185
145.9356 7.379879
146.4177 11.44890
146.8998 12.35534
147.3820 10.93005
147.8641 10.77558
148.3462 13.58802
148.8283 16.06991
149.3104 16.36572
149.7925 10.71546
150.2747 7.806856
150.7568 9.962132
151.2389 16.57988
151.7210 20.17354
152.2031 16.88073
152.6852 12.87965
153.1674 11.97836
153.6495 18.02867
154.1316 23.33003
154.6137 26.92842
155.0958 28.78979
155.5779 29.47936
156.0601 27.70216
156.5422 25.38948
157.0243 24.21048
157.5064 25.91240
157.9885 27.42678
158.4706 27.78322
158.9528 26.80510
159.4349 25.78515
159.9170 24.56911
160.3991 23.62918
160.8812 23.51113
161.3633 23.90359
161.8455 25.52614
162.3276 29.91256
162.8097 38.29673
163.2918 43.58573
163.7739 40.15883
164.2560 31.91127
164.7382 25.33424
165.2203 23.38831
165.7024 24.32391
166.1845 27.84517
166.6666 35.16895
167.1487 40.82817
167.6309 40.60603
168.1130 36.60508
168.5951 33.25481
169.0772 33.85101
169.5593 35.31922
170.0414 34.70522
170.5236 30.50297
171.0057 26.51926
171.4878 26.44283
171.9699 29.05209
172.4520 30.57227
172.9341 27.55092
173.4163 22.80531
173.8984 19.66525
174.3805 19.15559
174.8626 19.89463
175.3447 21.02957
175.8268 22.43111
176.3090 23.42677
176.7911 23.50480
177.2732 22.88940
177.7553 21.85875
178.2374 20.20393
178.7195 18.52073
179.2017 17.43120
179.6838 16.96160
180.1659 17.16002
180.6480 18.73450
181.1301 21.01556
181.6122 22.40044
182.0944 21.88466
182.5765 20.62425
183.0586 21.06678
183.5407 23.17821
184.0228 24.75332
184.5049 23.13869
184.9871 19.14825
185.4692 15.81217
185.9513 14.67387
186.4334 14.57289
186.9155 12.34179
187.3976 7.819515
187.8798 3.159523
188.3619 0.3240360
188.8440 2.447247
189.3261 1.514545
189.8082 5.701866
190.2903 16.37091
190.7725 19.15419
191.2546 13.01103
191.7367 4.695507
192.2188 1.996433
192.7009 4.632721
193.1830 7.995224
193.6652 11.35144
194.1473 14.32627
194.6294 13.35001
195.1115 7.438396
195.5936 0.8589440
196.0757 0.1030160
196.5579 5.413132
197.0400 9.860104
197.5221 9.827881
198.0042 5.763184
198.4863 4.579403
198.9684 6.904675
199.4506 10.60931
199.9327 12.77329
200.4148 13.38474
200.8969 12.79216
201.3790 10.15699
201.8611 5.319908
202.3433 4.148186
202.8254 7.992451
203.3075 13.34900
203.7896 13.59425
204.2717 7.696609
204.7538 2.006268
205.2360 0.6835590
205.7181 7.4813999E-02
206.2002 0.8577350
206.6823 2.323410
207.1644 3.862087
207.6465 4.565117
208.1287 4.266800
208.6108 3.701015
209.0929 3.182995
209.5750 2.750767
210.0571 2.059803
210.5392 0.8315730
211.0214 0.4107020
211.5035 0.4418490
211.9856 1.102917
212.4677 2.837234
212.9498 4.193630
213.4319 5.131096
213.9140 5.751087
214.3962 5.831211
214.8783 5.741966
215.3604 6.680237
215.8425 9.629036
216.3246 11.42100
216.8067 10.13642
217.2889 4.353958
217.7710 0.5240900
218.2531 1.302059
218.7352 1.359428
219.2173 0.5989340
219.6994 6.392277
220.1816 11.01244
220.6637 11.84538
221.1458 7.083458
221.6279 3.702496
222.1100 1.841869
222.5921 1.378254
223.0743 2.256142
223.5564 5.485355
224.0385 8.327896
224.5206 9.335976
225.0027 7.142315
225.4848 5.830845
225.9670 5.828068
226.4491 6.801674
226.9312 8.008713
227.4133 9.861111
227.8954 11.54498
228.3775 12.45009
228.8597 12.06161
229.3418 11.63736
229.8239 10.87656
230.3060 10.18732
230.7881 11.06844
231.2702 15.15030
231.7524 18.16676
232.2345 17.98611
232.7166 12.61839
233.1987 8.645061
233.6808 6.070282
234.1629 4.912106
234.6451 5.508877
235.1272 9.344090
235.6093 12.75336
236.0914 13.87666
236.5735 11.43526
237.0556 9.746117
237.5378 8.958656
238.0199 8.879944
238.5020 9.124638
238.9841 10.17681
239.4662 10.84448
239.9483 10.47276
240.4305 8.245461
240.9126 6.938557
241.3947 6.907307
241.8768 7.682011
242.3589 7.996372
242.8410 7.093575
243.3232 6.886929
243.8053 8.565571
244.2874 14.02691
244.7695 16.57735
245.2516 14.69772
245.7337 10.52417
246.2159 8.938229
246.6980 11.25615
247.1801 14.05972
247.6622 16.01945
248.1443 16.77422
248.6264 17.74804
249.1086 19.64569
249.5907 21.43557
250.0728 20.62836
250.5549 15.23126
251.0370 10.58671
251.5191 8.765411
252.0013 10.40240
252.4834 13.05994
252.9655 18.01111
253.4476 23.19919
253.9297 24.26858
254.4118 18.62657
254.8940 13.72190
255.3761 12.82213
255.8582 17.72023
256.3403 19.14980
256.8224 15.55723
257.3046 9.697578
257.7867 6.100418
258.2688 5.037106
258.7509 5.661324
259.2330 8.541023
259.7151 14.70323
260.1973 16.78227
260.6794 12.95568
261.1615 6.790855
261.6436 3.564922
262.1257 4.042366
262.6078 5.582813
263.0900 7.909927
263.5721 11.35389
264.0542 12.39358
264.5363 9.989807
265.0184 6.434605
265.5005 4.613415
265.9827 4.954060
266.4648 5.872784
266.9469 7.262203
267.4290 9.156204
267.9111 9.711891
268.3932 8.536430
268.8754 6.615540
269.3575 4.930111
269.8396 3.375065
270.3217 2.441071
270.8038 2.467110
271.2859 3.380043
271.7681 3.719074
272.2502 3.410442
272.7323 2.684921
273.2144 1.721260
273.6965 0.4702030
274.1786 0.8393170
274.6608 2.479561
275.1429 4.216255
275.6250 4.131107
276.1071 1.789047
276.5892 1.051266
277.0714 2.756351
277.5535 3.206959
278.0356 3.430920
278.5177 3.473038
278.9998 3.467163
279.4819 4.416691
279.9641 6.777512
280.4462 8.231972
280.9283 5.755199
281.4104 0.8470990
281.8925 4.261929
282.3746 2.381718
282.8568 2.637810
283.3389 4.606331
283.8210 3.256687
284.3031 0.9257810
284.7852 1.558701
285.2673 4.059532
285.7495 3.951736
286.2316 5.439913
286.7137 5.419441
287.1958 6.407494
287.6779 2.853157
288.1600 0.6661870
288.6422 1.120773
289.1243 1.118515
289.6064 3.573284
290.0885 6.330990
290.5706 8.589371
291.0527 8.727497
291.5349 6.863731
292.0170 4.716152
292.4991 2.096634
292.9812 0.2230760
293.4633 1.571377
293.9454 8.479046
294.4276 16.12954
294.9097 18.30027
295.3918 15.82413
295.8739 12.97505
296.3560 11.53938
296.8381 11.23938
297.3203 11.86264
297.8024 13.53241
298.2845 14.89860
298.7666 13.86878
299.2487 11.23535
299.7308 9.403255
300.2130 9.783211
300.6951 11.41380
301.1772 13.11543
301.6593 14.88296
302.1414 15.92074
302.6235 14.20173
303.1057 11.29116
303.5878 10.46363
304.0699 14.21726
304.5520 19.45247
305.0341 22.87949
305.5162 24.57465
305.9984 25.25379
306.4805 24.39545
306.9626 23.08943
307.4447 22.94457
307.9268 24.93979
308.4089 27.49616
308.8911 29.35247
309.3732 30.61275
309.8553 31.70698
310.3374 33.07572
310.8195 34.31989
311.3016 34.76239
311.7838 33.48371
312.2659 33.05423
312.7480 35.96702
313.2301 41.09455
313.7122 45.68823
314.1943 47.98874
314.6765 49.64445
315.1586 51.91442
315.6407 55.20596
316.1228 58.28214
316.6049 59.43219
317.0870 60.13274
317.5692 62.72516
318.0513 69.82116
318.5334 77.62180
319.0155 84.22179
319.4976 89.37312
319.9797 94.74645
320.4619 100.8974
320.9440 107.5269
321.4261 114.2236
321.9082 120.3895
322.3903 127.0402
322.8724 135.1720
323.3546 144.8406
323.8367 153.2302
324.3188 158.1842
324.8009 162.5724
325.2830 168.5265
325.7651 177.4741
326.2473 186.7648
326.7294 196.5867
327.2115 206.6570
327.6936 215.6341
328.1757 221.5138
328.6578 227.6194
329.1400 235.5964
329.6221 245.1795
330.1042 256.8949
330.5863 272.1231
331.0684 289.5895
331.5505 305.2777
332.0327 318.9076
332.5148 331.0987
332.9969 342.0850
333.4790 351.5314
333.9611 360.6720
334.4432 370.3022
334.9254 379.0556
335.4075 384.9753
335.8896 388.4174
336.3717 387.9492
336.8538 382.8030
337.3359 372.5580
337.8180 362.0763
338.3001 352.6280
338.7823 341.0604
339.2644 322.9308
339.7465 296.3320
340.2286 270.7546
340.7107 248.8832
341.1928 229.7853
341.6750 209.8159
342.1571 188.2634
342.6392 167.3430
343.1213 148.6576
343.6034 132.5116
344.0855 117.4907
344.5677 102.8935
345.0498 89.52139
345.5319 80.34313
346.0140 75.41501
346.4961 71.57177
346.9782 67.17519
347.4604 62.18609
347.9425 56.67863
348.4246 50.27446
348.9067 44.34913
349.3888 41.67771
349.8709 41.64122
350.3531 40.79895
350.8352 36.21355
351.3173 29.95195
351.7994 25.88158
352.2815 24.24883
352.7636 23.63303
353.2458 23.10257
353.7279 22.56553
354.2100 21.82775
354.6921 20.95393
355.1742 19.75429
355.6563 17.70906
356.1385 14.92184
356.6206 12.42846
357.1027 10.86594
357.5848 10.02533
358.0669 9.734859
358.5490 10.50605
359.0312 10.98797
359.5133 9.897091
359.9954 7.730125
360.4775 6.017452
360.9596 6.141289
361.4417 6.548355
361.9239 5.970734
362.4060 3.653320
362.8881 2.003502
363.3702 2.031776
363.8523 3.272690
364.3344 5.012173
364.8166 8.463421
365.2987 11.13142
365.7808 11.65133
366.2629 9.688816
366.7450 8.145119
367.2271 8.283001
367.7093 8.667530
368.1914 8.032703
368.6735 3.766045
369.1556 1.093708
369.6377 1.764935
370.1198 5.289474
370.6020 7.196846
371.0841 6.407269
371.5662 5.002884
372.0483 4.122643
372.5304 4.297722
373.0125 3.929649
373.4947 2.562202
373.9768 0.7879870
374.4589 0.1430400
374.9410 1.343750
375.4231 2.222630
375.9052 1.903198
376.3874 2.507222
376.8695 2.676221
377.3516 2.495884
377.8337 2.796204
378.3158 2.710693
378.7979 2.264423
379.2801 2.959577
379.7622 3.801569
380.2443 4.049763
380.7264 5.908672
381.2085 6.622444
381.6906 6.539707
382.1728 5.685257
382.6549 4.171520
383.1370 2.618618
383.6191 0.8307300
384.1012 0.4405020
384.5833 0.5852850
385.0655 3.619362
385.5476 6.411034
386.0297 7.911839
386.5118 8.247452
386.9939 7.082497
387.4760 4.082268
387.9582 1.806686
388.4403 4.001011
388.9224 8.669537
389.4045 11.65441
389.8866 9.856224
390.3687 6.772518
390.8509 5.234982
391.3330 4.831123
391.8151 4.278740
392.2972 1.535511
392.7793 1.199303
393.2614 1.658092
393.7436 2.769592
394.2257 6.698570
394.7078 7.551052
395.1899 6.129951
395.6720 4.541519
396.1541 2.850334
396.6363 1.623600
397.1184 1.124390
397.6005 1.416107
398.0826 2.323147
398.5647 5.132339
399.0468 8.098816
399.5290 9.105328
400.0111 5.182152
400.4932 2.342426
400.9753 2.011421
401.4574 4.180824
401.9395 5.735600
402.4217 6.591465
402.9038 6.938412
403.3859 6.704277
403.8680 5.086575
404.3501 4.980934
404.8322 7.437973
405.3144 11.12236
405.7965 12.19714
406.2786 9.983410
406.7607 7.446537
407.2428 5.932674
407.7249 5.473969
408.2071 4.620262
408.6892 3.103729
409.1713 1.954479
409.6534 2.926826
410.1355 5.892113
410.6176 8.349178
411.0998 9.772659
411.5819 10.10242
412.0640 8.397911
412.5461 4.778122
413.0282 1.909355
413.5103 2.915524
413.9925 6.040386
414.4746 7.430401
414.9567 6.008503
415.4388 4.069386
415.9209 4.042542
416.4030 5.371887
416.8852 6.674973
417.3673 6.809700
417.8494 6.908569
418.3315 8.485649
418.8136 11.64095
419.2957 13.62756
419.7779 12.01225
420.2600 8.823212
420.7421 6.117088
421.2242 3.782394
421.7063 2.864071
422.1884 4.896782
422.6706 8.935150
423.1527 10.99966
423.6348 8.486996
424.1169 5.136211
424.5990 2.493969
425.0811 0.6011350
425.5633 0.3406600
426.0454 0.1701090
426.5275 0.8717460
427.0096 2.619720
427.4917 6.273411
427.9738 8.820011
428.4560 9.400818
428.9381 8.107239
429.4202 6.774475
429.9023 4.959957
430.3844 3.940136
430.8665 5.542179
431.3487 10.74342
431.8308 12.05898
432.3129 7.606777
432.7950 0.5951580
433.2771 2.424534
433.7592 1.328094
434.2414 1.146214
434.7235 4.688988
435.2056 8.716625
435.6877 10.40976
436.1698 9.653652
436.6519 8.278725
437.1341 8.497307
437.6162 9.600872
438.0983 9.392872
438.5804 6.535618
439.0625 3.266308
439.5446 2.335983
440.0268 3.170544
440.5089 3.910244
440.9910 3.356911
441.4731 2.318741
441.9552 1.393360
442.4373 0.8464470
442.9195 0.4956050
443.4016 0.6220660
443.8837 1.042583
444.3658 1.534451
444.8479 1.829906
445.3300 2.435017
445.8122 4.203423
446.2943 6.831684
446.7764 7.472767
447.2585 2.817772
447.7406 1.702721
448.2227 3.196369
448.7049 0.7171290
449.1870 3.051308
449.6691 2.465649
450.1512 0.9566690
450.6333 1.901466
451.1154 7.249882
451.5976 11.25456
452.0797 11.76010
452.5618 9.065392
453.0439 7.635143
453.5260 7.885300
454.0081 8.432049
454.4903 8.258732
454.9724 7.368267
455.4545 5.974133
455.9366 3.838032
456.4187 1.773319
456.9008 1.454887
457.3830 2.689079
457.8651 3.985649
458.3472 4.385124
458.8293 4.465450
459.3114 5.729671
459.7935 8.153168
460.2757 9.848701
460.7578 8.007156
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