#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:56 +0300 (Thu, 24 May 2018) $
#$Revision: 810 $
#$URL: svn://172.16.1.111/rod/cif/2/00/00/2000005.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_2000005
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 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            R110120.rod
_rod_data_source.block           3500000
_rod_database.code               2000005
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
182.5765 0.0000000E+00
183.0586 0.6861340
183.5407 0.2722400
184.0228 3.1342000E-02
184.5049 0.4725490
184.9871 1.243629
185.4692 1.690102
185.9513 1.866730
186.4334 1.955002
186.9155 1.990860
187.3976 2.023071
187.8798 2.242081
188.3619 2.799438
188.8440 3.367661
189.3261 3.281761
189.8082 2.675163
190.2903 1.976509
190.7725 1.257042
191.2546 0.5655980
191.7367 0.3470230
192.2188 0.7266770
192.7009 1.289124
193.1830 1.260864
193.6652 0.6399380
194.1473 7.8217000E-02
194.6294 5.1079001E-02
195.1115 0.2225650
195.5936 0.5609740
196.0757 0.9519120
196.5579 1.385811
197.0400 1.958618
197.5221 2.718567
198.0042 3.214966
198.4863 3.012390
198.9684 2.095360
199.4506 1.548393
199.9327 1.499039
200.4148 1.785278
200.8969 2.091354
201.3790 2.423279
201.8611 2.759827
202.3433 3.110497
202.8254 3.484573
203.3075 3.789154
203.7896 4.046219
204.2717 4.205124
204.7538 4.068176
205.2360 3.551018
205.7181 3.045746
206.2002 2.751984
206.6823 2.664543
207.1644 2.869690
207.6465 3.564987
208.1287 4.449692
208.6108 4.515152
209.0929 3.483536
209.5750 2.398636
210.0571 1.934326
210.5392 2.266426
211.0214 2.731171
211.5035 3.350334
211.9856 4.060089
212.4677 4.345360
212.9498 3.817612
213.4319 3.157684
213.9140 3.071068
214.3962 3.800980
214.8783 4.224159
215.3604 4.332016
215.8425 4.213898
216.3246 4.075035
216.8067 3.913414
217.2889 3.836960
217.7710 3.950768
218.2531 4.363899
218.7352 4.613098
219.2173 4.577141
219.6994 4.355263
220.1816 4.460938
220.6637 5.100525
221.1458 5.709625
221.6279 5.905746
222.1100 5.530952
222.5921 5.155464
223.0743 4.781258
223.5564 4.438576
224.0385 4.284081
224.5206 4.443535
225.0027 4.600594
225.4848 4.537422
225.9670 4.116989
226.4491 3.809425
226.9312 3.636940
227.4133 3.602829
227.8954 3.764160
228.3775 4.312370
228.8597 4.773804
229.3418 4.836304
229.8239 4.342010
230.3060 3.796318
230.7881 3.126976
231.2702 2.418510
231.7524 2.152916
232.2345 2.610619
232.7166 3.111786
233.1987 3.204437
233.6808 2.539413
234.1629 2.260658
234.6451 2.651939
235.1272 3.497421
235.6093 3.847031
236.0914 3.522453
236.5735 2.949448
237.0556 2.330055
237.5378 1.570190
238.0199 0.9752580
238.5020 0.5958480
238.9841 0.3939210
239.4662 0.2397540
239.9483 0.1944050
240.4305 0.1541140
240.9126 1.5838999E-02
241.3947 0.4323430
241.8768 0.7185130
242.3589 0.8281860
242.8410 0.7917330
243.3232 0.6678470
243.8053 0.3287200
244.2874 8.0765001E-02
244.7695 0.1279530
245.2516 0.7421950
245.7337 1.026993
246.2159 0.8489530
246.6980 0.3522490
247.1801 1.4366000E-02
247.6622 0.1863100
248.1443 0.3291850
248.6264 0.5267940
249.1086 0.8321300
249.5907 1.140892
250.0728 1.447342
250.5549 1.702217
251.0370 1.822403
251.5191 1.791496
252.0013 1.683174
252.4834 1.502571
252.9655 1.143723
253.4476 1.073929
253.9297 1.396751
254.4118 1.909462
254.8940 2.171188
255.3761 2.064247
255.8582 1.992073
256.3403 2.084679
256.8224 2.356705
257.3046 2.692635
257.7867 3.172470
258.2688 3.678146
258.7509 3.991943
259.2330 4.124443
259.7151 4.030487
260.1973 3.569237
260.6794 2.545837
261.1615 2.120079
261.6436 2.573410
262.1257 3.384850
262.6078 3.596680
263.0900 2.878525
263.5721 2.356850
264.0542 2.521790
264.5363 3.535828
265.0184 4.171951
265.5005 4.376366
265.9827 4.288223
266.4648 4.020340
266.9469 3.419540
267.4290 3.101486
267.9111 3.367950
268.3932 4.272972
268.8754 4.811699
269.3575 4.887985
269.8396 4.742844
270.3217 4.635040
270.8038 4.534943
271.2859 4.585388
271.7681 4.868225
272.2502 5.370346
272.7323 5.823685
273.2144 6.264702
273.6965 6.565506
274.1786 6.487473
274.6608 5.920410
275.1429 5.585381
275.6250 5.736549
276.1071 6.291649
276.5892 6.630081
277.0714 6.710663
277.5535 6.675705
278.0356 6.649582
278.5177 6.636131
278.9998 6.588020
279.4819 6.497658
279.9641 6.364197
280.4462 6.164375
280.9283 5.876511
281.4104 5.611984
281.8925 5.494278
282.3746 5.526878
282.8568 5.476921
283.3389 5.280853
283.8210 5.001862
284.3031 4.830780
284.7852 4.782501
285.2673 4.729469
285.7495 4.484879
286.2316 4.083687
286.7137 4.057289
287.1958 4.632500
287.6779 5.379372
288.1600 5.281136
288.6422 4.323875
289.1243 3.369324
289.6064 2.991257
290.0885 3.097816
290.5706 3.262672
291.0527 3.459610
291.5349 3.666473
292.0170 3.945732
292.4991 4.267693
292.9812 4.340454
293.4633 3.724144
293.9454 2.706169
294.4276 2.277977
294.9097 2.570587
295.3918 3.119865
295.8739 3.410530
296.3560 3.462646
296.8381 3.390709
297.3203 3.216774
297.8024 2.966003
298.2845 2.650429
298.7666 2.253525
299.2487 1.853561
299.7308 1.582626
300.2130 1.406059
300.6951 1.203720
301.1772 0.8961110
301.6593 0.5686720
302.1414 0.2827150
302.6235 2.2957001E-02
303.1057 0.1737520
303.5878 0.1368710
304.0699 4.8622001E-02
304.5520 0.1969380
305.0341 0.2902220
305.5162 0.2442780
305.9984 0.1844480
306.4805 0.9174270
306.9626 1.447350
307.4447 1.235336
307.9268 0.6769180
308.4089 0.2722240
308.8911 0.1473160
309.3732 0.2117540
309.8553 0.5653080
310.3374 1.093338
310.8195 1.415215
311.3016 1.011086
311.7838 0.4487300
312.2659 0.3255920
312.7480 1.001907
313.2301 1.535606
313.7122 1.266800
314.1943 0.4495930
314.6765 0.3770680
315.1586 1.094833
315.6407 1.658035
316.1228 1.999352
316.6049 2.052406
317.0870 2.124275
317.5692 2.405197
318.0513 2.774323
318.5334 3.060753
319.0155 3.175865
319.4976 3.226135
319.9797 3.123222
320.4619 2.818810
320.9440 2.931946
321.4261 4.035477
321.9082 5.471535
322.3903 6.613289
322.8724 7.047310
323.3546 7.454330
323.8367 8.038475
324.3188 8.793938
324.8009 9.452690
325.2830 9.785164
325.7651 10.11717
326.2473 10.65921
326.7294 11.57577
327.2115 12.53865
327.6936 13.51675
328.1757 14.51382
328.6578 15.58696
329.1400 16.75843
329.6221 17.99248
330.1042 19.28647
330.5863 20.66687
331.0684 22.07520
331.5505 23.53693
332.0327 25.01268
332.5148 26.39754
332.9969 27.64313
333.4790 28.85463
333.9611 30.02366
334.4432 31.03642
334.9254 32.48098
335.4075 34.50909
335.8896 36.81683
336.3717 38.95770
336.8538 40.76529
337.3359 42.75422
337.8180 45.03430
338.3001 47.59261
338.7823 50.45528
339.2644 53.69461
339.7465 57.03830
340.2286 60.22821
340.7107 63.21887
341.1928 66.20461
341.6750 69.19936
342.1571 72.19258
342.6392 74.90085
343.1213 77.29189
343.6034 79.70228
344.0855 82.44584
344.5677 85.48710
345.0498 88.58109
345.5319 91.77023
346.0140 94.84301
346.4961 97.29382
346.9782 99.13516
347.4604 100.9124
347.9425 102.8910
348.4246 105.0461
348.9067 107.2083
349.3888 109.3598
349.8709 111.5663
350.3531 114.0500
350.8352 116.6972
351.3173 119.0764
351.7994 120.9278
352.2815 122.4373
352.7636 123.8995
353.2458 125.3130
353.7279 126.6758
354.2100 128.1840
354.6921 129.6083
355.1742 130.5325
355.6563 130.6489
356.1385 130.4142
356.6206 130.4363
357.1027 130.5712
357.5848 130.1201
358.0669 128.7320
358.5490 126.5297
359.0312 123.5668
359.5133 119.6316
359.9954 115.3860
360.4775 111.3121
360.9596 107.1803
361.4417 102.5928
361.9239 96.95985
362.4060 91.11231
362.8881 85.37328
363.3702 79.69173
363.8523 74.58463
364.3344 70.47169
364.8166 66.90823
365.2987 63.38793
365.7808 59.66277
366.2629 56.20496
366.7450 53.14412
367.2271 50.47710
367.7093 48.04843
368.1914 45.69092
368.6735 43.64948
369.1556 42.10670
369.6377 41.73582
370.1198 41.04987
370.6020 39.76418
371.0841 38.06709
371.5662 36.66167
372.0483 35.61974
372.5304 34.82238
373.0125 34.28790
373.4947 34.24392
373.9768 33.77105
374.4589 32.59227
374.9410 31.20029
375.4231 30.44949
375.9052 30.55968
376.3874 30.68903
376.8695 30.62959
377.3516 30.38036
377.8337 29.94470
378.3158 29.31584
378.7979 28.51534
379.2801 27.45950
379.7622 26.11534
380.2443 25.08786
380.7264 24.57765
381.2085 24.37500
381.6906 23.91462
382.1728 23.19470
382.6549 22.39253
383.1370 21.53939
383.6191 20.68385
384.1012 20.06712
384.5833 19.71942
385.0655 19.56052
385.5476 19.59155
386.0297 19.74911
386.5118 19.80699
386.9939 19.58107
387.4760 19.22080
387.9582 18.97466
388.4403 18.84746
388.9224 18.65119
389.4045 18.07056
389.8866 17.37211
390.3687 16.93384
390.8509 16.98715
391.3330 17.23396
391.8151 17.50612
392.2972 17.80600
392.7793 18.14361
393.2614 18.78478
393.7436 19.29917
394.2257 19.32965
394.7078 18.60123
395.1899 17.90546
395.6720 17.53580
396.1541 17.39809
396.6363 17.27220
397.1184 17.15011
397.6005 16.97424
398.0826 16.70047
398.5647 16.31463
399.0468 15.93520
399.5290 15.38533
400.0111 14.95356
400.4932 14.87972
400.9753 15.65102
401.4574 16.12149
401.9395 16.13866
402.4217 15.80244
402.9038 15.43347
403.3859 14.98038
403.8680 14.52022
404.3501 14.07715
404.8322 13.63351
405.3144 13.32607
405.7965 13.26865
406.2786 13.22130
406.7607 12.71715
407.2428 11.65079
407.7249 10.71896
408.2071 10.23914
408.6892 10.11649
409.1713 9.767075
409.6534 9.153976
410.1355 8.447327
410.6176 7.736809
411.0998 7.050636
411.5819 6.606964
412.0640 6.485306
412.5461 6.488106
413.0282 6.292686
413.5103 5.942589
413.9925 5.569916
414.4746 5.330620
414.9567 5.106262
415.4388 4.650085
415.9209 3.907990
416.4030 3.094254
416.8852 2.247490
417.3673 1.460960
417.8494 0.8802870
418.3315 0.5129390
418.8136 0.4143910
419.2957 0.8155900
419.7779 1.614220
420.2600 2.167603
420.7421 2.061531
421.2242 1.658043
421.7063 1.175102
422.1884 0.4441380
422.6706 3.4538001E-02
423.1527 0.2753220
423.6348 0.9110030
424.1169 1.465607
424.5990 1.938965
425.0811 2.230713
425.5633 2.214035
426.0454 1.842636
426.5275 1.687103
427.0096 1.920349
427.4917 2.229790
427.9738 2.342598
428.4560 2.107208
428.9381 1.993774
429.4202 2.098267
429.9023 2.352531
430.3844 2.505211
430.8665 2.511703
431.3487 2.547043
431.8308 2.794914
432.3129 3.286255
432.7950 3.269699
433.2771 2.585083
433.7592 1.806358
434.2414 1.767509
434.7235 2.405151
435.2056 2.942238
435.6877 3.124954
436.1698 3.062172
436.6519 2.911537
437.1341 2.682381
437.6162 2.522995
438.0983 2.614754
438.5804 2.830475
439.0625 2.965279
439.5446 2.997086
440.0268 2.907181
440.5089 2.467934
440.9910 1.898613
441.4731 1.653381
441.9552 2.444031
442.4373 3.219254
442.9195 3.130119
443.4016 2.180946
443.8837 1.475410
444.3658 1.665855
444.8479 2.172310
445.3300 2.541939
445.8122 2.604141
446.2943 2.625763
446.7764 2.591286
447.2585 2.547836
447.7406 2.617302
448.2227 3.068756
448.7049 3.365501
449.1870 3.329628
449.6691 2.913597
450.1512 2.477676
450.6333 1.991356
451.1154 1.525879
451.5976 1.171928
452.0797 0.9947360
452.5618 0.7016680
453.0439 0.1165770
453.5260 0.5413860
454.0081 0.5071600
454.4903 0.3300930
454.9724 1.141487
455.4545 1.477531
455.9366 1.378273
456.4187 1.083046
456.9008 0.5618900
457.3830 6.4677998E-02
457.8651 7.6680002E-03
458.3472 0.2425840
458.8293 0.2823330
459.3114 0.1760030
459.7935 0.7600290
460.2757 1.010769
460.7578 0.9690020
461.2399 0.8483350
461.7220 0.7322880
462.2041 0.6272660
462.6862 0.5384750
463.1684 0.4643440
463.6505 0.4067500
464.1326 0.3439410
464.6147 0.3035350
465.0968 0.3205410
465.5789 0.5180660
466.0611 0.6560820
466.5432 0.5893330
467.0253 0.3510820
467.5074 0.2857320
467.9895 0.7135200
468.4716 1.090363
468.9538 1.147068
469.4359 0.7304920
469.9180 0.3129390
470.4001 0.2107050
470.8822 0.6653750
471.3643 0.7268830
471.8465 0.2045170
472.3286 0.1496350
472.8107 8.1646003E-02
473.2928 0.3194810
473.7749 0.5419270
474.2570 0.5686420
474.7392 0.4910510
475.2213 0.3478240
475.7034 0.1480900
476.1855 6.0745001E-02
476.6676 0.2887120
477.1497 0.4729420
477.6319 0.5235100
478.1140 0.4569630
478.5961 0.3233380
479.0782 5.6744002E-02
479.5603 0.2114720
480.0424 0.3239290
480.5246 0.2920610
481.0067 0.2055090
481.4888 6.4277999E-02
481.9709 0.2633090
482.4530 0.1060910
482.9352 0.6387060
483.4173 1.279976
483.8994 1.488331
484.3815 1.439201
484.8636 1.396561
485.3457 1.327572
485.8279 1.363136
486.3100 1.660183
486.7921 2.215477
487.2742 2.411640
487.7563 1.954521
488.2384 1.440117
488.7206 1.205540
489.2027 1.352146
489.6848 1.528358
490.1669 1.792366
490.6490 2.018936
491.1311 1.933762
491.6133 1.468380
492.0954 1.183258
492.5775 1.323833
493.0596 1.756687
493.5417 1.988323
494.0238 2.015903
494.5060 1.965290
494.9881 1.863255
495.4702 1.756519
495.9523 1.796505
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