#------------------------------------------------------------------------------
#$Date: 2019-06-11 16:00:37 +0300 (Tue, 11 Jun 2019) $
#$Revision: 1337 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500269.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_3500269
loop_
_publ_author_name
'Kumar, Arun'
'Zanatta, M.'
'Nazzareni, S'
'Daldosso, N.'
'Mariotto, G.'
_publ_section_title
;
 Raman spectrum of CuFeS2
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2019
_chemical_compound_source
'natural'_chemical_formula_structural     'Cu Fe S2'
_chemical_formula_sum            'Cu Fe S2'
_chemical_name_systematic        'Copper iron sulfide'
_space_group_IT_number           111
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      111
_symmetry_space_group_name_Hall  'P -4 2'
_symmetry_space_group_name_H-M   'P -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.27
_cell_length_b                   5.27
_cell_length_c                   5.194
_cell_volume                     144.3
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_raman_measurement_device.location 'University of Verona'
_raman_measurement_device.company
'Thermo Scientific_raman_measurement_device.model DXR2'
_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 0.50
_raman_measurement_device.excitation_laser_type helium-neon
_raman_measurement_device.excitation_laser_wavelength 633
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 1
_raman_measurement_device.power_on_sample 8
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.5
_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 60
_raman_measurement.datetime_initiated 2019-05-13
_rod_data_source.file            CuFeS2.txt
_rod_data_source.block
/var/www/html/rod/tmp/uploads/1560257623.5013-06A4055A28351D0A.rod
_rod_database.code               3500269
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 silicon_wafer
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 1010318 COD http://www.crystallography.net/cod/1010318.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.raw_intensity
_raman_spectrum.intensity
50.491089 32.407318 3.9045475
51.455318 31.83526 3.4100304
52.419559 31.20384 2.8560078
53.38379 30.23764 1.96706
54.34802 29.14461 0.95114
55.31226 28.64934 0.53283
56.27649 28.80446 0.76478
57.24072 30.27771 2.3147
58.20496 31.57769 3.69122
59.16919 32.63491 4.82483
60.13342 33.16119 5.42736
61.09766 33.47988 5.82215
62.06189 34.17064 6.58887
63.02612 34.93203 7.42608
63.99036 33.97686 6.54658
64.95459 35.99732 8.64257
65.91882 41.39694 14.11758
66.88306 53.44234 26.23823
67.84729 67.63101 40.502
68.81152 78.21883 51.16477
69.77576 85.04865 58.06942
70.73999 87.46391 60.55935
71.70422 86.67457 59.84454
72.66846 82.63246 55.87682
73.63269 72.36228 45.68089
74.59692 60.56266 33.95537
75.56116 51.16671 24.63338
76.52539 44.37712 17.91761
77.48962 40.70371 14.31787
78.45386 38.56015 12.24785
79.41809 37.79894 11.56003
80.38232 38.3017 12.13605
81.34656 40.16792 14.07538
82.31079 43.56535 17.54577
83.27502 49.3172 23.37045
84.23926 58.22181 32.34774
85.20349 65.66412 39.8626
86.16772 71.62924 45.90012
87.13196 77.41327 51.75641
88.09619 80.97099 55.38625
89.06042 81.54353 56.03077
90.02466 77.6808 52.23988
90.98889 69.24703 43.8778
91.95313 61.85835 36.56068
92.91736 55.59431 30.36805
93.88159 49.90078 24.7458
94.84583 45.70741 20.62356
95.81006 43.06867 18.05581
96.77429 40.88103 15.93903
97.73853 39.72504 14.85375
98.70276 42.66154 17.86082
99.66699 50.14328 25.41299
100.6312 72.74158 48.08158
101.5955 89.77719 65.18735
102.5597 100.9902 76.47037
103.5239 104.7696 80.31964
104.4882 102.6962 78.31597
105.4524 97.69057 73.37993
106.4166 88.97121 64.73002
107.3809 70.95435 46.78248
108.3451 56.57375 32.47105
109.3093 45.58044 21.54677
110.2736 39.60236 15.63759
111.2378 36.49767 12.60166
112.202 34.28101 10.45361
113.1663 33.22216 9.46325
114.1305 34.0647 10.37412
115.0947 34.52034 10.89796
116.059 34.59889 11.04458
117.0232 34.06677 10.58038
117.9874 33.31834 9.89974
118.9517 32.54063 9.18968
119.9159 31.61785 8.3344
120.8801 30.46039 7.24431
121.8444 29.61246 6.46362
122.8086 29.11633 6.03458
123.7728 29.00087 5.98608
124.7371 29.12564 6.17767
125.7013 29.46372 6.58243
126.6655 30.13431 7.31956
127.6298 31.11133 8.36299
128.59399 32.0849 9.40283
129.5582 33.06739 10.45145
130.52251 34.46858 11.91864
131.48669 35.51863 13.03455
132.4509 36.18372 13.76535
133.41521 36.13486 13.78208
134.37939 35.65225 13.36492
135.3436 35.28632 13.0643
136.30791 35.0742 12.91736
137.27209 35.20257 13.11076
138.2363 35.28087 13.25396
139.20061 35.31017 13.34803
140.16479 35.37889 13.48138
141.129 35.36245 13.52943
142.09331 35.16185 13.39319
143.0575 34.70099 12.99655
144.0217 33.84686 12.2065
144.98599 33.08639 11.50999
145.9502 32.44574 10.93315
146.9144 31.82181 10.3729
147.87869 31.34608 9.96072
148.8429 31.05512 9.73316
149.8071 31.05856 9.79987
150.77139 31.36906 10.17352
151.7356 31.61215 10.47961
152.6998 31.78033 10.71066
153.66409 31.76421 10.75728
154.6283 31.75103 10.80669
155.5925 31.75074 10.86887
156.55679 31.76145 10.94191
157.521 31.78673 11.02939
158.4852 31.83449 11.13921
159.44949 31.91507 11.28172
160.4137 32.07172 11.50017
161.3779 32.21349 11.7036
162.34219 32.33385 11.88549
163.3064 32.35652 11.96955
164.2706 32.37532 12.04961
165.23489 32.4712 12.20662
166.1991 32.70018 12.4966
167.1633 33.15417 13.01145
168.12759 33.51263 13.43064
169.0918 33.7482 13.7268
170.056 33.9411 13.98017
171.02029 33.98992 14.08932
171.9845 33.86494 14.02454
172.9487 33.44619 13.66585
173.91299 32.74203 13.02163
174.8772 32.111 12.4504
175.8414 31.57858 11.97765
176.80569 31.13708 11.59569
177.7699 30.79247 11.31048
178.7341 30.54259 11.11987
179.69839 30.41575 11.05218
180.6626 30.39063 11.08607
181.6268 30.42865 11.18297
182.59109 30.54698 11.36005
183.5553 30.82969 11.70138
184.5195 31.09142 12.02159
185.4838 31.32213 12.31066
186.448 31.59099 12.63774
187.4122 31.79625 12.9011
188.3765 31.87614 13.03896
189.3407 31.77226 12.99291
190.3049 31.44862 12.72697
191.2692 31.11139 12.44732
192.2334 30.78336 12.17673
193.1976 30.41323 11.86391
194.1619 30.09277 11.60064
195.1261 29.84157 11.40649
196.0903 29.64993 11.27177
197.0546 29.52478 11.20342
198.0188 29.49198 11.22729
198.983 29.56162 11.35346
199.9473 29.83863 11.68688
200.9115 30.10482 12.00935
201.8757 30.33959 12.30027
202.84 30.66896 12.68566
203.8042 30.94681 13.01941
204.7684 31.05147 13.17983
205.7327 30.92187 13.10587
206.6969 30.48931 12.72881
207.6611 30.00911 12.30399
208.6254 29.50201 11.85215
209.5896 28.78379 11.18905
210.5538 28.15481 10.61507
211.5181 27.70271 10.21784
212.4823 27.52325 10.09312
213.4465 27.58327 10.20775
214.4108 27.69773 10.3767
215.375 27.83157 10.56491
216.3392 27.88707 10.67464
217.3035 28.04524 10.88692
218.2677 28.31773 11.21339
219.2319 28.73156 11.68107
220.1962 29.26372 12.26696
221.1604 29.89308 12.94992
222.1246 30.6747 13.78502
223.0889 31.69007 14.85374
224.0531 32.65406 15.87095
225.0173 33.5009 16.77089
225.9816 34.05534 17.3783
226.9458 34.59901 17.97482
227.91 35.22182 18.65035
228.8743 36.02213 19.50326
229.8385 36.9639 20.4975
230.8027 37.85226 21.4382
231.767 38.64595 22.28412
232.7312 39.23169 22.92195
233.6954 39.82207 23.5643
234.6597 40.44448 24.23856
235.6239 41.05943 24.90523
236.5881 41.72731 25.62471
237.5524 42.50407 26.45295
238.5166 43.42392 27.42415
239.4808 44.50441 28.55587
240.4451 45.64563 29.7482
241.4093 46.81763 30.97118
242.3735 47.92449 32.1289
243.3378 49.10622 33.36136
244.302 50.41369 34.71944
245.2662 51.82725 36.18349
246.2305 53.36848 37.77508
247.1947 55.09767 39.55452
248.15891 57.0202 41.52716
249.1232 59.12688 43.68385
250.0874 61.459 46.06584
251.05161 63.99292 48.64951
252.0159 66.72286 51.42909
252.9801 69.65259 54.40832
253.94431 72.78275 57.58787
254.9086 76.12077 60.97517
255.8728 79.67673 64.58027
256.83701 83.41003 68.36259
257.8013 87.33969 72.34116
258.7655 91.75011 76.80035
259.72971 96.19018 81.28909
260.694 100.5479 85.69535
261.6582 105.1145 90.31037
262.62241 109.6327 94.87687
263.5867 113.6411 98.93345
264.5509 117.0701 102.41051
265.51511 120.0752 105.46355
266.4794 122.2222 107.65836
267.4436 123.4167 108.90057
268.40781 123.5808 109.11224
269.3721 122.8817 108.4606
270.3363 121.393 107.01924
271.30051 118.6188 104.29226
272.2648 114.6852 100.40577
273.229 110.8023 96.56985
274.19321 107.2859 93.10031
275.1575 103.2178 89.07896
276.1217 100.3634 86.27119
277.08591 99.05804 85.01233
278.0502 98.12511 84.12579
279.0144 98.9006 84.94756
279.97861 102.6912 88.78431
280.9429 108.2639 94.40305
281.9071 114.2709 100.45597
282.87131 126.9585 113.18938
283.8356 149.0258 135.30235
284.7998 177.2332 163.55531
285.76401 215.8575 202.22507
286.7283 266.46811 252.88101
287.6925 353.21359 339.67172
288.65671 458.1698 444.673
289.621 543.78583 530.33405
290.58521 594.92822 581.5213
291.54941 604.91632 591.55414
292.5137 588.10461 574.78711
293.47791 550.14093 536.86792
294.44211 465.66449 452.43585
295.4064 371.5387 358.35437
296.37061 288.10199 274.96182
297.33481 224.34621 211.25009
298.2991 179.1012 166.04903
299.26331 143.7328 130.72446
300.22751 115.3506 102.38597
301.1918 97.52074 84.5997
302.15601 84.47918 71.60162
303.12021 73.59656 60.76237
304.0845 65.62146 52.83052
305.04871 59.65016 46.90236
306.01291 54.84553 42.14076
306.9772 50.92538 38.26352
307.94141 47.88005 35.26098
308.90561 45.75709 33.18071
309.8699 44.58028 32.04647
310.83411 44.26999 31.77863
311.79831 45.02405 32.57504
312.7626 46.94028 34.5335
313.72681 50.94022 38.57555
314.69101 56.1743 43.85164
315.6553 61.49844 49.21767
316.61951 66.97643 54.73744
317.58371 73.20026 61.00293
318.548 78.06296 65.9072
319.51221 80.32123 68.20691
320.47641 78.24383 66.17084
321.4407 74.4972 62.46543
322.40491 70.2466 58.25593
323.36911 65.39986 53.45018
324.3334 60.19811 48.28933
325.29761 55.1784 43.31039
326.26181 50.5397 38.71235
327.2261 46.2224 34.43561
328.19031 42.38446 30.63811
329.15451 39.19907 27.49305
330.1188 36.79436 25.12856
331.08301 34.92237 23.29668
332.04721 33.42755 21.84186
333.01151 32.43346 20.88766
333.97571 31.8548 20.34878
334.93991 31.37207 19.90572
335.90421 30.80495 19.37817
336.86841 30.10445 18.71712
337.83261 29.36485 18.01686
338.79691 28.65257 17.34382
339.76111 27.76528 16.49565
340.72531 26.94695 15.71634
341.68961 26.39223 15.20053
342.65381 26.00178 14.84888
343.61801 25.81067 14.69646
344.58231 26.15224 15.07661
345.54651 27.32288 16.28573
346.51071 29.9127 18.91391
347.47501 32.96038 21.99986
348.43921 35.77142 24.84905
349.40341 39.08661 28.20228
350.36771 42.1092 31.26281
351.33191 44.0713 33.26274
352.29611 44.23571 33.46487
353.26041 42.60907 31.87585
354.22461 40.16181 29.46611
355.18881 37.48947 26.83117
356.15311 34.16512 23.54412
357.11731 30.86621 20.2824
358.08151 28.08344 17.53672
359.04581 25.91158 15.40184
360.01001 24.25417 13.7813
360.97421 23.00559 12.56949
361.93851 22.18089 11.78145
362.90271 21.78766 11.42478
363.86691 21.66796 11.34153
364.83121 21.72493 11.43486
365.79541 22.15201 11.89818
366.75961 22.67991 12.46222
367.72391 23.08435 12.90269
368.68811 23.21661 13.07088
369.65231 23.20927 13.09937
370.61661 23.23841 13.16423
371.58081 23.31453 13.27597
372.54501 23.42449 13.42144
373.50931 23.73198 13.76434
374.47351 24.39096 14.45863
375.43771 25.60283 15.70571
376.40201 27.12276 17.26074
377.36621 28.69114 18.86411
378.33041 31.19231 21.40018
379.29471 33.82681 24.06948
380.25891 35.41124 25.68859
381.22311 34.80379 25.11573
382.18741 31.88336 22.22979
383.15161 28.04007 18.42088
384.11581 24.55943 14.97453
385.08011 21.31233 11.76161
386.04431 18.50798 8.99134
387.00851 16.27663 6.79397
387.97281 14.90707 5.45828
388.93701 14.15997 4.74496
389.90121 13.65319 4.27185
390.86551 13.21025 3.86249
391.82971 12.83047 3.51618
392.79391 12.51151 3.23059
393.75821 12.25562 3.00798
394.72241 12.09695 2.88248
395.68661 12.0009 2.8195
396.65091 11.90859 2.76017
397.61511 11.80511 2.68956
398.57932 11.70124 2.61846
399.54361 11.61556 2.56546
400.50781 11.55554 2.53801
401.47198 11.51989 2.53484
402.43631 11.50557 2.5529
403.40051 11.51459 2.59419
404.36469 11.56733 2.67911
405.32901 11.64418 2.78805
406.29321 11.7068 2.88265
407.25739 11.73219 2.93992
408.22171 11.73615 2.97567
409.18591 11.74829 3.0195
410.15009 11.78378 3.08658
411.11441 11.84349 3.17779
412.07861 11.92237 3.28807
413.04279 12.02437 3.42136
414.00711 12.17902 3.60722
414.97131 12.35119 3.81049
415.93549 12.45842 3.94873
416.89981 12.46684 3.98807
417.86401 12.40648 3.95852
418.82819 12.33706 3.91982
419.79251 12.26087 3.87426
420.75671 12.18064 3.82456
421.72089 12.12822 3.80257
422.68521 12.15935 3.86404
423.64941 12.32627 4.0612
424.61359 12.5551 4.32017
425.57791 12.66705 4.46218
426.54211 12.59624 4.42132
427.50629 12.40114 4.25608
428.47061 12.19596 4.08067
429.43481 11.98003 3.89441
430.39899 11.75976 3.70372
431.36331 11.58366 3.55711
432.32751 11.51318 3.51601
433.29169 11.57622 3.60835
434.25601 11.72175 3.78308
435.22021 11.83397 3.92441
436.18439 11.88161 4.00106
437.14871 11.88531 4.03369
438.11292 11.89529 4.0725
439.07709 11.91683 4.12277
440.04141 11.95196 4.18655
441.00562 12.00512 4.26826
441.96979 12.09498 4.38657
442.93411 12.23454 4.5545
443.89828 12.38844 4.73667
444.86249 12.48402 4.86044
445.82681 12.4931 4.89761
446.79099 12.42476 4.85726
447.75519 12.36567 4.82608
448.71951 12.33667 4.8249
449.68369 12.33119 4.84714
450.64789 12.30491 4.84849
451.61221 12.23729 4.80842
452.57639 12.12859 4.72717
453.54059 11.97977 4.60571
454.50491 11.78553 4.43874
455.46909 11.52936 4.20975
456.43329 11.21777 3.92525
457.39761 10.91654 3.65103
458.36179 10.62965 3.39105
459.32599 10.35692 3.14514
460.29031 10.08614 2.90109
461.25449 9.80606 2.64765
462.21881 9.51465 2.3828
463.18301 9.22872 2.12333
464.14719 8.97443 1.89541
465.11151 8.76035 1.70762
466.07571 8.57872 1.55219
467.03989 8.38374 1.38332
468.00421 8.15058 1.17618
468.96841 7.88473 0.93627
469.93259 7.66401 0.74139
470.89691 7.50657 0.60972
471.86111 7.41311 0.54192
472.82529 7.35107 0.50546
473.78961 7.3018 0.48169
474.75381 7.2695 0.4748
475.71799 7.24664 0.47726
476.68231 7.20891 0.46477
477.64651 7.14448 0.42549
478.61069 7.05028 0.35635
479.57501 6.99353 0.32458
480.53922 6.98624 0.34217
481.50339 7.03205 0.41279
482.46771 7.08355 0.489
483.43188 7.12872 0.55881
484.39609 7.172 0.62664
485.36041 7.20043 0.67953
486.32458 7.18711 0.69058
487.28879 7.11398 0.64175
488.25311 6.9837 0.53567
489.21729 6.89619 0.47229
490.18149 6.86593 0.46606
491.14581 6.89431 0.51839
492.10999 6.93304 0.581
493.07419 6.9867 0.65844
494.03851 7.06552 0.76096
495.00269 7.13546 0.85451
495.96689 7.16157 0.90416
496.93121 7.12524 0.89127
497.89539 7.04644 0.83584
498.85959 7.01409 0.82678
499.82391 7.04884 0.88473
500.78809 7.18005 1.03906
501.75229 7.25634 1.13838
502.71661 7.26564 1.17064
503.68079 7.18426 1.11212
504.64499 7.09907 1.04972
505.60931 7.03775 1.01111
506.57349 7.00484 1.00082
507.53769 6.99188 1.0104
508.50201 6.98872 1.0297
509.46619 7.00247 1.06583
510.43039 7.03458 1.12024
511.39471 7.05618 1.16406
512.35889 7.06432 1.19434
513.32312 7.05278 1.20485
514.28741 7.03489 1.20894
515.25159 7.00542 1.20136
516.21582 6.95357 1.17132
517.18011 6.91017 1.14966
518.14429 6.9012 1.16234
519.10852 6.95155 1.23426
520.07281 7.0337 1.33791
521.03699 7.06007 1.38569
522.00122 7.00963 1.35659
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1950.031 3.53143 1.61326
1950.995 3.43804 1.52254
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1952.924 3.46753 1.55737
1953.8879 3.55037 1.64287
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1957.745 3.30715 1.41035
1958.709 3.35172 1.45761
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1960.637 3.43031 1.54156
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1971.244 3.39039 1.53125
1972.208 3.3483 1.49186
1973.172 3.30453 1.45079
1974.137 3.25448 1.40345
1975.101 3.21305 1.36472
1976.0649 3.19262 1.347
1977.0291 3.1868 1.34388
1977.994 3.17662 1.33641
1978.958 3.14107 1.30358
1979.922 3.1061 1.27132
1980.886 3.10101 1.26893
1981.851 3.14346 1.31409
1982.8149 3.17706 1.35041
1983.7791 3.15459 1.33066
1984.743 3.08475 1.26353
1985.708 3.02646 1.20796
1986.672 3.01832 1.20253
1987.636 3.03836 1.2253
1988.6 3.04075 1.2304
1989.564 3.00285 1.19522
1990.5291 2.97643 1.17152
1991.493 3.03507 1.23289
1992.457 3.18017 1.38071
1993.421 3.28704 1.4903
1994.386 3.25631 1.4623
1995.35 3.1198 1.32851
1996.314 3.02458 1.23601
1997.278 2.99233 1.20649
1998.243 2.99136 1.20825
1999.207 2.97703 1.19665
2000.171 2.94459 1.16693
2001.135 2.92316 1.14824
2002.099 2.94521 1.17302
2003.064 3.01151 1.24205
2004.028 3.04112 1.27439
2004.9919 3.01542 1.25142
2005.9561 2.95802 1.19675
2006.921 2.91804 1.1595
2007.885 2.89772 1.14192
2008.849 2.88922 1.13615
2009.813 2.89117 1.14083
2010.778 2.90889 1.16129
2011.7419 2.91645 1.17158
2012.7061 2.90899 1.16686
2013.67 2.89032 1.15092
2014.635 2.87694 1.14028
2015.599 2.87271 1.13878
2016.563 2.86878 1.13758
2017.527 2.85927 1.13081
2018.491 2.84337 1.11765
2019.4561 2.82212 1.09914
2020.42 2.78226 1.06201
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