#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:55 +0300 (Thu, 26 Apr 2018) $
#$Revision: 584 $
#$URL: svn://172.16.1.111/rod/cif/2/00/00/2000001.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_2000001
loop_
_publ_author_name
'Lutz, H. D.'
'Muller, B.'
'Schmidt, T.'
'Stingl, T.'
_publ_section_title
;
 Structure refinement of pyrite-type ruthenium disulfide, RuS2, and
 ruthenium diselenide, RuSe2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2003
_journal_page_last               2005
_journal_paper_doi               10.1107/S0108270190001925
_journal_volume                  46
_journal_year                    1990
_chemical_compound_source        R110120
_chemical_formula_sum            'Ru S2'
_chemical_name_mineral           Laurite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6106
_cell_length_b                   5.6106
_cell_length_c                   5.6106
_cell_volume                     176.615
_exptl_crystal_density_diffrn    6.213
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9016356
_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            R110120.rod
_rod_data_source.block           3500000
_rod_database.code               2000001
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 9016356 COD http://www.crystallography.net/cod/9016356.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
177.9024 0.0000000E+00
178.3845 0.5275990
178.8666 0.8437230
179.3488 0.6549640
179.8309 6.0989000E-02
180.3130 5.3295001E-02
180.7951 0.6263620
181.2772 1.086094
181.7593 1.264160
182.2415 1.281307
182.7236 1.270264
183.2057 1.259693
183.6878 1.218067
184.1699 1.084827
184.6520 0.7420310
185.1342 0.5817990
185.6163 0.6689490
186.0984 0.8524550
186.5805 1.088642
187.0626 1.341888
187.5447 1.528385
188.0269 1.512867
188.5090 1.199055
188.9911 1.015663
189.4732 1.217537
189.9553 1.573452
190.4374 1.701588
190.9196 1.440269
191.4017 1.020008
191.8838 0.7421040
192.3659 0.5939710
192.8480 0.5664370
193.3301 0.7755200
193.8123 1.131721
194.2944 1.308121
194.7765 1.087650
195.2586 0.7980000
195.7407 0.8305630
196.2228 1.196163
196.7050 1.553017
197.1871 1.605518
197.6692 1.363926
198.1513 1.225361
198.6334 1.370964
199.1155 1.559875
199.5977 1.595955
200.0798 1.477955
200.5619 1.385311
201.0440 1.538902
201.5261 1.994244
202.0082 2.330856
202.4904 2.458210
202.9725 2.477337
203.4546 2.383644
203.9367 2.197945
204.4188 2.008480
204.9009 1.940830
205.3831 2.056850
205.8652 2.107208
206.3473 2.059177
206.8294 1.976078
207.3115 1.858055
207.7936 1.731323
208.2758 1.666656
208.7579 1.749458
209.2400 2.026878
209.7221 2.235344
210.2042 2.283051
210.6863 2.303417
211.1685 2.358711
211.6506 2.449238
212.1327 2.636234
212.6148 2.936874
213.0969 3.205521
213.5790 3.461212
214.0612 3.659912
214.5433 3.752010
215.0254 3.867760
215.5075 4.046261
215.9896 4.238945
216.4717 4.319496
216.9539 4.168873
217.4360 4.033405
217.9181 3.909084
218.4002 3.827721
218.8823 3.851124
219.3644 4.000286
219.8466 4.147419
220.3287 4.090370
220.8108 3.779427
221.2929 3.554619
221.7750 3.482143
222.2571 3.511608
222.7393 3.602943
223.2214 3.757259
223.7035 3.916592
224.1856 4.023102
224.6677 4.083294
225.1498 4.058022
225.6320 3.829647
226.1141 3.535225
226.5962 3.416157
227.0783 3.542698
227.5604 3.754280
228.0425 3.930199
228.5247 4.069530
229.0068 4.141251
229.4889 4.165920
229.9710 4.110954
230.4531 3.863472
230.9352 3.322506
231.4174 2.779194
231.8995 2.450474
232.3816 2.291492
232.8637 2.200272
233.3458 2.184624
233.8279 2.204483
234.3101 2.105179
234.7922 1.784237
235.2743 1.516174
235.7564 1.595913
236.2385 1.832344
236.7206 1.942875
237.2028 1.721218
237.6849 1.242161
238.1670 0.8216210
238.6491 0.4660000
239.1312 0.1976620
239.6133 4.7591999E-02
240.0955 2.6131000E-02
240.5776 9.6592002E-02
241.0597 0.2099080
241.5418 0.3528370
242.0239 0.4608610
242.5060 0.5397000
242.9882 0.5694850
243.4703 0.5314140
243.9524 0.4479370
244.4345 0.3355830
244.9166 0.1868360
245.3987 3.5140999E-02
245.8809 5.7098001E-02
246.3630 0.4992680
246.8451 0.7953680
247.3272 0.7152940
247.8093 0.4621510
248.2914 0.3163800
248.7736 0.4395030
249.2557 0.7429810
249.7378 0.8637580
250.2199 0.5904660
250.7020 0.3838350
251.1841 0.3210410
251.6663 0.3502770
252.1484 0.4259190
252.6305 0.5274470
253.1126 0.6362880
253.5947 0.6932720
254.0768 0.7543450
254.5590 0.6743580
255.0411 0.3156930
255.5232 0.1349980
256.0053 0.4904750
256.4874 0.6710400
256.9695 0.7056200
257.4517 0.6620480
257.9338 0.3207130
258.4159 0.1710850
258.8980 0.3464050
259.3801 0.6601790
259.8622 0.9595600
260.3444 1.187275
260.8265 1.300808
261.3086 1.204525
261.7907 0.5441130
262.2728 0.2518730
262.7549 0.6270560
263.2371 1.234558
263.7192 1.654026
264.2013 1.772713
264.6834 1.725922
265.1655 1.689240
265.6476 1.592358
266.1298 1.717968
266.6119 2.441998
267.0940 3.188606
267.5761 3.314819
268.0582 2.715145
268.5403 1.929516
269.0225 1.583202
269.5046 1.796165
269.9867 2.003284
270.4688 2.288002
270.9509 2.503620
271.4330 2.452446
271.9152 2.128147
272.3973 1.800373
272.8794 1.722477
273.3615 1.922783
273.8436 2.158478
274.3257 2.536922
274.8079 2.873531
275.2900 2.971863
275.7721 2.838432
276.2542 2.701183
276.7363 2.755268
277.2184 2.967884
277.7006 3.039570
278.1827 2.828735
278.6648 2.587906
279.1469 2.478489
279.6290 2.496700
280.1111 2.595055
280.5933 2.784966
281.0754 3.023010
281.5575 3.169418
282.0396 3.198059
282.5217 3.169342
283.0038 3.124195
283.4860 3.056137
283.9681 2.909153
284.4502 2.585335
284.9323 2.234146
285.4144 2.172298
285.8965 2.520546
286.3787 2.850212
286.8608 2.836342
287.3429 2.588528
287.8250 2.550003
288.3071 2.990009
288.7892 3.525024
289.2714 3.559307
289.7535 3.042191
290.2356 2.536884
290.7177 2.316425
291.1998 2.306824
291.6819 2.284592
292.1641 2.147629
292.6462 2.099411
293.1283 2.564594
293.6104 3.463604
294.0925 3.959503
294.5746 3.403561
295.0568 2.269569
295.5389 1.503605
296.0210 1.262531
296.5031 1.232121
296.9852 1.237038
297.4673 1.254681
297.9495 1.206272
298.4316 1.011177
298.9137 0.7531390
299.3958 0.5482410
299.8779 0.4001920
300.3600 0.3172610
300.8422 0.3797990
301.3243 0.5090640
301.8064 0.5557370
302.2885 0.4299930
302.7706 0.2707370
303.2527 0.2622760
303.7349 0.4073750
304.2170 0.4672200
304.6991 0.2482190
305.1812 2.9362001E-02
305.6633 5.3833000E-02
306.1454 0.3001330
306.6276 0.6477890
307.1097 0.5550840
307.5918 6.7215003E-02
308.0739 0.1709590
308.5560 0.2245790
309.0381 0.7825930
309.5203 0.9324680
310.0024 0.6205980
310.4845 0.2919350
310.9666 0.2398150
311.4487 0.4295580
311.9308 0.7016410
312.4130 1.113598
312.8951 1.505516
313.3772 1.667675
313.8593 1.622623
314.3414 1.637321
314.8235 1.871784
315.3057 2.264793
315.7878 2.659904
316.2699 3.030235
316.7520 3.435596
317.2341 3.903336
317.7162 4.429134
318.1984 5.024197
318.6805 5.720581
319.1626 6.473690
319.6447 7.208466
320.1268 7.916164
320.6089 8.648121
321.0911 9.415417
321.5732 10.23803
322.0553 11.15668
322.5374 12.21814
323.0195 13.32257
323.5016 14.36266
323.9838 15.34423
324.4659 16.31265
324.9480 17.26721
325.4301 18.22706
325.9122 19.18365
326.3943 20.12999
326.8765 21.15327
327.3586 22.31762
327.8407 23.61855
328.3228 24.98252
328.8049 26.31168
329.2870 27.82993
329.7692 29.78654
330.2513 32.14137
330.7334 34.56178
331.2155 36.86938
331.6976 39.12191
332.1797 41.41801
332.6619 43.72047
333.1440 46.20079
333.6261 49.07907
334.1082 52.24033
334.5903 55.49459
335.0724 58.72537
335.5546 62.02225
336.0367 65.45894
336.5188 69.01089
337.0009 72.82858
337.4830 77.13544
337.9651 81.74414
338.4473 86.24202
338.9294 90.44361
339.4115 94.74968
339.8936 99.52279
340.3757 104.7228
340.8578 109.8639
341.3400 114.6804
341.8221 119.4927
342.3042 124.7938
342.7863 130.6566
343.2684 136.6473
343.7505 142.6134
344.2327 148.5528
344.7148 154.4145
345.1969 160.1264
345.6790 165.9213
346.1611 172.2415
346.6432 178.9892
347.1254 185.5036
347.6075 191.3667
348.0896 197.0151
348.5717 202.8513
349.0538 208.9337
349.5359 215.2175
350.0181 221.8429
350.5002 228.6879
350.9823 235.2077
351.4644 241.2964
351.9465 247.0810
352.4286 252.8850
352.9108 258.5509
353.3929 263.4769
353.8750 267.4111
354.3571 270.3044
354.8392 272.1788
355.3214 273.2921
355.8035 273.1165
356.2856 271.5446
356.7677 268.5392
357.2498 264.1018
357.7319 258.2544
358.2141 250.7904
358.6962 240.9595
359.1783 228.4444
359.6604 215.6415
360.1425 202.5085
360.6246 189.3430
361.1068 176.3817
361.5889 163.5761
362.0710 151.1768
362.5531 139.2604
363.0352 127.8691
363.5173 117.7413
363.9995 109.2049
364.4816 101.4117
364.9637 94.12814
365.4458 87.31378
365.9279 80.83447
366.4100 74.58666
366.8922 68.69601
367.3743 63.74823
367.8564 60.26389
368.3385 56.89528
368.8206 53.32143
369.3027 49.84152
369.7849 46.87139
370.2670 44.52555
370.7491 42.50941
371.2312 40.42478
371.7133 38.21981
372.1954 36.14864
372.6776 34.10237
373.1597 32.28074
373.6418 30.81646
374.1239 29.69284
374.6060 28.81204
375.0881 28.11333
375.5703 27.59195
376.0524 26.97034
376.5345 26.09744
377.0166 25.29576
377.4987 24.69036
377.9808 24.18512
378.4630 23.63022
378.9451 22.95638
379.4272 22.21745
379.9093 21.53550
380.3914 20.87394
380.8735 20.34006
381.3557 20.04823
381.8378 19.79264
382.3199 19.38953
382.8020 18.83035
383.2841 18.26956
383.7662 17.88661
384.2484 17.70419
384.7305 17.52797
385.2126 17.25639
385.6947 17.09180
386.1768 17.14271
386.6589 17.34992
387.1411 17.62214
387.6232 17.94200
388.1053 18.22967
388.5874 18.15714
389.0695 17.46512
389.5516 16.89998
390.0338 16.66217
390.5159 16.59005
390.9980 16.57420
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392.4443 16.40873
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393.4086 15.92632
393.8907 16.05799
394.3728 16.22499
394.8549 16.32568
395.3370 16.34446
395.8192 16.26079
396.3013 15.98060
396.7834 15.55203
397.2655 15.18552
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398.2297 14.72728
398.7119 14.32711
399.1940 13.87023
399.6761 13.48550
400.1582 13.21556
400.6403 13.00392
401.1224 12.82127
401.6046 12.65233
402.0867 12.40617
402.5688 12.00458
403.0509 11.56102
403.5330 11.21423
404.0151 10.97403
404.4973 10.77310
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413.1754 2.756905
413.6575 2.271458
414.1396 1.759510
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415.1038 1.459295
415.5859 1.443243
416.0681 1.176842
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417.9965 0.7321530
418.4786 1.009163
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419.9250 0.5731560
420.4071 6.1760001E-02
420.8892 0.4341450
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429.5673 6.4677998E-02
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454.6374 4.3145999E-02
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461.8691 0.1599100
462.3513 8.8520003E-03
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464.2797 0.1211910
464.7618 8.0789998E-02
465.2440 5.9429999E-03
465.7261 0.1402550
466.2082 0.2725350
466.6903 0.4716210
467.1724 0.6128980
467.6545 0.4304500
468.1367 6.3538000E-02
468.6188 0.3847160
469.1009 0.1427970
469.5830 0.5197160
470.0651 0.8800930
470.5472 0.7587990
471.0294 0.6075940
471.5115 0.5030480
471.9936 0.4478450
472.4757 0.4572010
472.9578 0.5301900
473.4399 0.6266540
473.9221 0.7082060
474.4042 0.7902620
474.8863 0.7611010
475.3684 0.4445970
475.8505 0.1929320
476.3326 0.1852660
476.8148 0.3311750
477.2969 0.4921720
477.7790 0.6112920
478.2611 0.6731320
478.7432 0.5932600
479.2253 0.2694870
479.7075 9.8908998E-02
480.1896 0.2713660
480.6717 0.4700260
481.1538 0.5161060
481.6359 0.4411540
482.1180 0.4060690
482.6002 0.5557820
483.0823 0.8125020
483.5644 0.9357190
484.0465 0.8868370
484.5286 0.8283290
485.0107 0.8185180
485.4929 0.8432100
485.9750 0.9114590
486.4571 1.046989
486.9392 1.104525
487.4213 0.9050540
487.9034 0.5794070
488.3856 0.4301110
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489.3498 0.7052840
489.8319 0.9495320
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