#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:01:40 +0300 (Thu, 26 Apr 2018) $
#$Revision: 611 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100013.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100013
loop_
_publ_author_name
'Jumas, J. C.'
'Philippot, E.'
'Maurin, M.'
_publ_section_title
;
 Structure du rhodostannite synthetique Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2195
_journal_page_last               2197
_journal_paper_doi               10.1107/S0567740879008761
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        R120139
_chemical_formula_sum            'Cu Fe0.5 S4 Sn1.5'
_chemical_name_mineral           Rhodostannite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.305
_cell_length_b                   7.305
_cell_length_c                   10.330
_cell_volume                     551.240
_exptl_crystal_density_diffrn    4.793
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Cu (Fe.5 Sn1.5) S4'
_cod_database_code               9011211
_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            R120139.rod
_rod_data_source.block           3500000
_rod_database.code               2100013
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 9011211 COD http://www.crystallography.net/cod/9011211.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
140.8576 0.0000000E+00
141.3397 4.5295998E-02
141.8218 6.7329998E-03
142.3039 7.8350000E-02
142.7860 0.4412650
143.2681 0.9317970
143.7503 1.233028
144.2324 1.467949
144.7145 1.278927
145.1966 1.021492
145.6787 0.7003440
146.1608 0.3933300
146.6430 0.1454770
147.1251 3.7907001E-02
147.6072 0.1150890
148.0893 8.2976997E-02
148.5714 0.3008800
149.0535 0.3705250
149.5357 0.2619090
150.0178 0.1061130
150.4999 0.1259650
150.9820 0.4830170
151.4641 0.6621320
151.9462 0.5145000
152.4284 0.2653350
152.9105 6.6334002E-02
153.3926 2.1503000E-02
153.8747 8.2050003E-03
154.3568 8.6220004E-02
154.8389 0.3637390
155.3211 0.6047400
155.8032 0.7808340
156.2853 0.9203110
156.7674 1.070679
157.2495 1.254932
157.7316 1.445789
158.2138 1.510117
158.6959 1.335323
159.1780 1.180038
159.6601 1.098713
160.1422 1.087429
160.6243 1.157539
161.1065 1.342365
161.5886 1.585545
162.0707 1.648476
162.5528 1.318027
163.0349 1.011898
163.5170 1.057186
163.9991 1.412991
164.4813 1.657070
164.9634 1.407459
165.4455 0.8911590
165.9276 0.6473770
166.4097 0.9156300
166.8918 1.333237
167.3740 1.470184
167.8561 1.271854
168.3382 1.052177
168.8203 1.000248
169.3024 1.035328
169.7845 1.074127
170.2667 1.112862
170.7488 1.121300
171.2309 0.9997860
171.7130 0.6253930
172.1951 0.3534890
172.6772 0.3798980
173.1594 0.5652120
173.6415 0.7011680
174.1236 0.6330830
174.6057 0.4194070
175.0878 0.4236760
175.5699 0.8529090
176.0521 1.287949
176.5342 1.700008
177.0163 2.034164
177.4984 2.191349
177.9805 2.172318
178.4626 1.842514
178.9448 1.693665
179.4269 2.006378
179.9090 2.415836
180.3911 2.670731
180.8732 2.798779
181.3553 2.905338
181.8375 2.992935
182.3196 3.015259
182.8017 3.132568
183.2838 3.319759
183.7659 3.495964
184.2480 3.738323
184.7301 4.013935
185.2123 4.303005
185.6944 4.687660
186.1765 5.191597
186.6586 5.498287
187.1407 5.526768
187.6228 5.424408
188.1050 5.242638
188.5871 4.996853
189.0692 4.795818
189.5513 4.777527
190.0334 4.936493
190.5155 5.030022
190.9977 4.975895
191.4798 4.869770
191.9619 4.803547
192.4440 4.782852
192.9261 4.829506
193.4082 5.104939
193.8904 5.510384
194.3725 5.672764
194.8546 5.194817
195.3367 4.442600
195.8188 4.182529
196.3009 4.626854
196.7831 5.242043
197.2652 5.739254
197.7473 6.108166
198.2294 6.273804
198.7115 6.050823
199.1936 5.549656
199.6758 5.361164
200.1579 5.678101
200.6400 6.079170
201.1221 6.425850
201.6042 6.679874
202.0863 6.744686
202.5685 6.443787
203.0506 5.811699
203.5327 5.472584
204.0148 5.811680
204.4969 6.055080
204.9790 5.809956
205.4612 5.215717
205.9433 4.651104
206.4254 4.437298
206.9075 4.600147
207.3896 4.606094
207.8717 4.300091
208.3539 3.968594
208.8360 3.689106
209.3181 3.460331
209.8002 3.254074
210.2823 3.057247
210.7644 2.884880
211.2466 2.592239
211.7287 2.015839
212.2108 1.486786
212.6929 1.189266
213.1750 1.074448
213.6571 0.9362030
214.1393 0.5602530
214.6214 0.1293910
215.1035 0.4958110
215.5856 0.2867550
216.0677 5.5836000E-02
216.5498 7.6114997E-02
217.0320 0.3420790
217.5141 0.7055850
217.9962 1.059147
218.4783 1.413094
218.9604 1.550640
219.4425 1.280113
219.9247 0.9769780
220.4068 0.8695110
220.8889 0.9619290
221.3710 1.126957
221.8531 1.272137
222.3352 1.393234
222.8174 1.469463
223.2995 1.480022
223.7816 1.462200
224.2637 1.462456
224.7458 1.478954
225.2279 1.434711
225.7100 1.224716
226.1922 0.8797570
226.6743 0.6473960
227.1564 0.6846280
227.6385 0.7524600
228.1206 0.6202160
228.6027 0.2736700
229.0849 0.1429710
229.5670 0.6400300
230.0491 1.119427
230.5312 1.312191
231.0133 0.8237230
231.4954 0.2200850
231.9776 0.1997380
232.4597 0.8328820
232.9418 1.556290
233.4239 2.029846
233.9060 2.362007
234.3881 2.706188
234.8703 3.091309
235.3524 3.512459
235.8345 3.966793
236.3166 4.459507
236.7987 4.976871
237.2808 5.524315
237.7630 6.090107
238.2451 6.667213
238.7272 7.248669
239.2093 7.848171
239.6914 8.471237
240.1735 9.103596
240.6557 9.819122
241.1378 10.69971
241.6199 11.65184
242.1020 12.57438
242.5841 13.41204
243.0662 14.26463
243.5484 15.31617
244.0305 16.62180
244.5126 17.97857
244.9947 19.30814
245.4768 20.66628
245.9589 22.11772
246.4410 23.69090
246.9232 25.31419
247.4053 26.92997
247.8874 28.63995
248.3695 30.06521
248.8516 30.95699
249.3337 31.68195
249.8159 32.54873
250.2980 33.64719
250.7801 34.77716
251.2622 35.65128
251.7443 36.33573
252.2264 36.55326
252.7086 36.01555
253.1907 35.26052
253.6728 34.63659
254.1549 34.24194
254.6370 33.97887
255.1191 33.69839
255.6013 33.37254
256.0834 33.09534
256.5655 32.93541
257.0476 32.76859
257.5297 32.44994
258.0118 31.98555
258.4940 31.55612
258.9761 31.40846
259.4582 31.62096
259.9403 31.94628
260.4224 32.53062
260.9045 33.09579
261.3867 33.47217
261.8688 33.64384
262.3509 33.68900
262.8330 33.68102
263.3151 33.57166
263.7972 33.59671
264.2794 33.88137
264.7615 34.16853
265.2436 34.33434
265.7257 34.36567
266.2078 34.29760
266.6899 34.15125
267.1721 33.90560
267.6542 33.72088
268.1363 33.58233
268.6184 33.50267
269.1005 33.54202
269.5826 33.66145
270.0648 33.72585
270.5469 33.60123
271.0290 33.27470
271.5111 33.18082
271.9932 33.44026
272.4753 33.73527
272.9575 33.96334
273.4396 34.16018
273.9217 34.37063
274.4038 34.61633
274.8859 34.87613
275.3680 35.03744
275.8501 35.00737
276.3322 34.99868
276.8144 35.15557
277.2965 35.42707
277.7786 35.62266
278.2607 35.60401
278.7428 35.44050
279.2249 35.48672
279.7071 35.90872
280.1892 36.30070
280.6713 36.54853
281.1534 36.70697
281.6355 36.90062
282.1176 37.20285
282.5998 37.49917
283.0819 37.47020
283.5640 37.04700
284.0461 36.53510
284.5282 35.89126
285.0103 35.19817
285.4925 34.61360
285.9746 34.20757
286.4567 33.89022
286.9388 33.45972
287.4209 32.82230
287.9030 32.34493
288.3852 32.40686
288.8673 32.53233
289.3494 32.10176
289.8315 30.96490
290.3136 29.48250
290.7957 27.97118
291.2779 26.39428
291.7600 25.17533
292.2421 24.58978
292.7242 24.24977
293.2063 23.75777
293.6884 23.06309
294.1706 22.42418
294.6527 22.15905
295.1348 22.26159
295.6169 22.01112
296.0990 21.11981
296.5811 20.05737
297.0633 19.10519
297.5454 18.29536
298.0275 17.68529
298.5096 17.36706
298.9917 17.30462
299.4738 17.17235
299.9560 16.87498
300.4381 16.59703
300.9202 16.41777
301.4023 16.34100
301.8844 16.38385
302.3665 16.58514
302.8487 16.89484
303.3308 17.15966
303.8129 17.39296
304.2950 17.57015
304.7771 17.61217
305.2592 17.58470
305.7414 17.67311
306.2235 17.97102
306.7056 18.37281
307.1877 18.64298
307.6698 18.71455
308.1519 18.92318
308.6341 19.45798
309.1162 20.18307
309.5983 20.86742
310.0804 21.44936
310.5625 21.98637
311.0446 22.54822
311.5268 23.13816
312.0089 23.70738
312.4910 24.22993
312.9731 24.73363
313.4552 25.34296
313.9373 26.08654
314.4195 26.62552
314.9016 26.55703
315.3837 25.91312
315.8658 25.37451
316.3479 25.13898
316.8300 24.92595
317.3121 24.55022
317.7943 23.99625
318.2764 23.22964
318.7585 22.15819
319.2406 20.85143
319.7227 19.66720
320.2048 18.61915
320.6870 17.66830
321.1691 16.84159
321.6512 16.10849
322.1333 15.32695
322.6154 14.40317
323.0975 13.43341
323.5797 12.70560
324.0618 12.34475
324.5439 11.90643
325.0260 11.06308
325.5081 10.05769
325.9902 9.392754
326.4724 9.271645
326.9545 9.359791
327.4366 9.099419
327.9187 8.416519
328.4008 7.885216
328.8829 7.663067
329.3651 7.624767
329.8472 7.649200
330.3293 7.720863
330.8114 7.826054
331.2935 7.921276
331.7756 7.996414
332.2578 8.218395
332.7399 8.681297
333.2220 9.247005
333.7041 9.790783
334.1862 10.29613
334.6683 10.86311
335.1505 11.61073
335.6326 12.51312
336.1147 13.25132
336.5968 13.55026
337.0789 13.97193
337.5610 14.80052
338.0432 15.93250
338.5253 17.13118
339.0074 18.30409
339.4895 19.48581
339.9716 20.72327
340.4537 21.97567
340.9359 23.32531
341.4180 24.75131
341.9001 26.28458
342.3822 28.01298
342.8643 29.94578
343.3464 31.90124
343.8286 33.64787
344.3107 35.09299
344.7928 36.63228
345.2749 38.35554
345.7570 40.07145
346.2391 41.63605
346.7213 43.03862
347.2034 44.38298
347.6855 45.75090
348.1676 47.14735
348.6497 48.36545
349.1318 49.52436
349.6140 50.43114
350.0961 50.89610
350.5782 51.04196
351.0603 51.16760
351.5424 51.46132
352.0245 51.80445
352.5067 51.70246
352.9888 50.86174
353.4709 49.95304
353.9530 49.16198
354.4351 48.31057
354.9172 47.10977
355.3994 45.46567
355.8815 43.64256
356.3636 42.09542
356.8457 41.09491
357.3278 39.81243
357.8099 38.11053
358.2920 36.27050
358.7741 34.39625
359.2563 32.53474
359.7384 30.80034
360.2205 29.31441
360.7026 28.12079
361.1847 26.87823
361.6668 25.46945
362.1490 24.10369
362.6311 22.90751
363.1132 21.80737
363.5953 20.65897
364.0774 19.35626
364.5595 17.94932
365.0417 16.64548
365.5238 15.47016
366.0059 14.38384
366.4880 13.41497
366.9701 12.52262
367.4522 11.64214
367.9344 10.76603
368.4165 9.965931
368.8986 9.382610
369.3807 9.177799
369.8628 8.782871
370.3449 7.938560
370.8271 7.121914
371.3092 6.611336
371.7913 6.381184
372.2734 6.195831
372.7555 5.852741
373.2376 5.358120
373.7198 4.872414
374.2019 4.305111
374.6840 3.871155
375.1661 3.778351
375.6482 3.825291
376.1303 3.678867
376.6125 3.135906
377.0946 2.407253
377.5767 1.973873
378.0588 1.938705
378.5409 1.912773
379.0230 1.848961
379.5052 1.714375
379.9873 1.424294
380.4694 0.9660950
380.9515 0.5423090
381.4336 0.4137460
381.9157 0.5713960
382.3979 0.6111640
382.8800 0.3879740
383.3621 0.1482660
383.8442 7.3833004E-02
384.3263 0.1307300
384.8084 0.1774100
385.2906 0.1269570
385.7727 1.7712001E-02
386.2548 5.9344999E-02
386.7369 8.3751999E-02
387.2190 0.1481930
387.7011 0.3699340
388.1833 0.6477470
388.6654 0.8293230
389.1475 0.8440820
389.6296 0.8323480
390.1117 0.9680230
390.5938 1.218994
391.0760 1.313517
391.5581 1.083643
392.0402 0.7551710
392.5223 0.6644210
393.0044 0.8272400
393.4865 0.9565720
393.9687 0.9249460
394.4508 0.7943710
394.9329 0.6268710
395.4150 0.4202330
395.8971 0.2953990
396.3792 0.3954660
396.8614 0.7009070
397.3435 0.9344120
397.8256 1.101377
398.3077 1.181858
398.7898 1.167797
399.2719 1.058189
399.7540 0.8133160
400.2361 0.3675290
400.7183 0.1545010
401.2004 0.3598840
401.6825 5.9237000E-02
402.1646 0.1708930
402.6467 0.1812800
403.1288 9.2430003E-02
403.6110 4.1746002E-02
404.0931 6.0054999E-02
404.5752 8.8636003E-02
405.0573 5.3927999E-02
405.5394 6.5733001E-02
406.0215 0.1415480
406.5037 0.1779120
406.9858 0.1734070
407.4679 7.3417999E-02
407.9500 7.0556998E-02
408.4321 0.1405030
408.9142 6.0917001E-02
409.3964 0.1435150
409.8785 0.3620130
410.3606 0.7311900
410.8427 0.9250350
411.3248 0.7840190
411.8069 0.5321270
412.2891 0.3722930
412.7712 0.3603020
413.2533 0.4317000
413.7354 0.5226500
414.2175 0.6633450
414.6996 0.7005770
415.1818 0.4513110
415.6639 0.2681120
416.1460 0.3849330
416.6281 0.6841510
417.1102 0.8509650
417.5923 0.6241320
418.0745 0.1743220
418.5566 0.1441500
419.0387 0.8071370
419.5208 1.280581
420.0029 1.079992
420.4850 0.6928830
420.9672 0.5884170
421.4493 0.8840010
421.9314 1.277206
422.4135 1.500937
422.8956 1.556419
423.3777 1.465200
423.8599 1.153477
424.3420 0.7974590
424.8241 0.4342080
425.3062 0.1146870
425.7883 3.6412999E-02
426.2704 0.5073030
426.7526 1.165546
427.2347 1.437532
427.7168 1.302082
428.1989 1.128721
428.6810 1.094940
429.1631 1.158316
429.6453 1.209490
430.1274 1.241507
430.6095 1.276302
431.0916 1.332434
431.5737 1.397484
432.0558 1.428202
432.5380 1.404198
433.0201 1.418116
433.5022 1.622375
433.9843 2.060276
434.4664 2.283110
434.9485 2.098095
435.4307 1.844763
435.9128 1.732801
436.3949 1.748610
436.8770 1.800900
437.3591 1.842373
437.8412 1.869204
438.3234 1.866215
438.8055 1.744205
439.2876 1.708080
439.7697 1.903297
440.2518 2.117033
440.7339 2.081993
441.2160 1.777409
441.6982 1.479795
442.1803 1.540026
442.6624 2.042234
443.1445 2.286652
443.6266 1.961571
444.1087 1.697794
444.5909 1.764156
445.0730 2.008051
445.5551 2.140099
446.0372 1.995951
446.5193 1.723423
447.0014 1.682018
447.4836 1.983013
447.9657 2.180351
448.4478 2.177113
448.9299 2.052145
449.4120 1.784904
449.8941 1.417341
450.3763 1.140104
450.8584 1.177092
451.3405 1.437300
451.8226 1.507067
452.3047 1.301794
452.7868 1.122377
453.2690 1.203871
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