#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:43:42 +0300 (Thu, 26 Apr 2018) $
#$Revision: 535 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000087.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_1000087
loop_
_publ_author_name
'Berry, L. G.'
_publ_section_title
;
 The crystal structure of covellite, CuS and klockmannite, CuSe
;
_journal_name_full               'American Mineralogist'
_journal_page_first              504
_journal_page_last               509
_journal_volume                  39
_journal_year                    1954
_chemical_compound_source        R070658
_chemical_formula_sum            'Cu Se'
_chemical_name_mineral           Klockmannite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.938
_cell_length_b                   3.938
_cell_length_c                   17.25
_cell_volume                     231.671
_exptl_crystal_density_diffrn    6.129
_cod_database_code               9000063
_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            R070658.rod
_rod_data_source.block           3500000
_rod_database.code               1000087
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 9000063 COD http://www.crystallography.net/cod/9000063.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.7202 0.0000000E+00
123.2023 8.063477
123.6844 11.09277
124.1665 1.386719
124.6486 0.5068360
125.1308 31.97461
125.6129 117.1650
126.0950 189.1836
126.5771 224.5215
127.0592 237.4414
127.5413 246.3418
128.0235 258.3701
128.5056 277.8037
128.9877 302.3672
129.4698 349.9619
129.9519 362.9707
130.4340 311.5469
130.9162 216.3926
131.3983 130.0996
131.8804 107.1963
132.3625 176.3213
132.8446 209.4561
133.3267 186.5156
133.8089 148.5938
134.2910 107.5605
134.7731 76.39746
135.2552 71.79785
135.7373 92.93750
136.2194 171.4346
136.7016 223.9717
137.1837 234.7949
137.6658 224.9395
138.1479 212.4961
138.6300 207.5625
139.1121 210.7148
139.5943 219.2705
140.0764 227.6035
140.5585 219.9170
141.0406 177.4951
141.5227 119.7451
142.0048 78.68066
142.4870 96.08984
142.9691 167.6650
143.4512 205.2188
143.9333 216.8057
144.4154 214.0889
144.8975 213.8584
145.3797 232.1045
145.8618 234.5010
146.3439 173.7988
146.8260 92.12207
147.3081 39.61230
147.7902 44.44727
148.2724 87.45020
148.7545 123.9297
149.2366 165.5889
149.7187 194.0547
150.2008 201.2432
150.6829 191.3682
151.1651 173.8721
151.6472 148.4365
152.1293 112.9316
152.6114 94.07227
153.0935 120.6621
153.5757 141.4326
154.0578 136.7178
154.5399 109.1680
155.0220 73.75000
155.5041 44.28027
155.9862 18.22070
156.4684 6.715820
156.9505 22.37793
157.4326 40.53418
157.9147 47.76562
158.3968 41.22559
158.8789 26.24805
159.3611 10.59766
159.8432 12.43262
160.3253 24.08887
160.8074 11.19531
161.2895 6.646484
161.7716 6.296875
162.2538 21.48730
162.7359 61.28613
163.2180 74.17188
163.7001 35.47852
164.1822 5.761719
164.6643 9.518555
165.1465 27.49805
165.6286 20.79492
166.1107 34.82910
166.5928 120.8320
167.0749 166.3105
167.5570 153.6484
168.0392 127.6045
168.5213 104.2188
169.0034 83.69434
169.4855 66.42773
169.9676 53.82422
170.4497 44.92090
170.9319 35.81055
171.4140 26.06641
171.8961 16.59668
172.3782 4.652344
172.8603 11.90137
173.3424 18.52441
173.8246 5.660156
174.3067 46.24316
174.7888 78.79785
175.2709 89.94922
175.7530 89.61133
176.2351 96.23047
176.7173 111.5850
177.1994 131.0625
177.6815 161.9668
178.1636 195.9971
178.6457 212.3408
179.1278 181.1162
179.6100 113.4775
180.0921 84.78223
180.5742 127.9512
181.0563 185.1992
181.5384 240.8633
182.0205 290.2109
182.5027 322.8301
182.9848 319.2773
183.4669 273.0332
183.9490 251.5840
184.4311 286.3389
184.9132 325.2754
185.3954 350.2988
185.8775 358.7910
186.3596 355.5967
186.8417 343.6260
187.3238 317.0361
187.8059 299.3574
188.2881 275.9404
188.7702 270.2080
189.2523 310.3408
189.7344 397.3965
190.2165 496.1309
190.6986 548.3320
191.1808 524.2451
191.6629 498.9150
192.1450 469.4111
192.6271 441.8398
193.1092 424.4131
193.5914 419.8477
194.0735 419.6328
194.5556 403.6543
195.0377 340.1406
195.5198 297.1709
196.0019 283.8291
196.4841 289.0625
196.9662 303.4834
197.4483 323.6133
197.9304 344.6064
198.4125 348.8486
198.8946 319.6445
199.3768 293.8887
199.8589 282.4482
200.3410 279.1445
200.8231 271.6572
201.3052 252.6592
201.7873 224.8594
202.2695 200.8291
202.7516 170.3174
203.2337 153.2900
203.7158 166.7393
204.1979 201.8252
204.6800 232.5137
205.1622 245.4170
205.6443 241.0771
206.1264 226.2969
206.6085 193.7100
207.0906 157.5879
207.5727 118.9014
208.0549 79.68945
208.5370 55.19434
209.0191 59.30957
209.5012 88.34570
209.9833 116.6611
210.4654 153.1396
210.9476 182.8506
211.4297 186.9160
211.9118 163.6299
212.3939 139.8604
212.8760 135.3896
213.3581 145.0078
213.8403 155.0225
214.3224 166.7461
214.8045 177.4043
215.2866 180.6885
215.7687 174.8398
216.2508 167.0693
216.7330 159.3350
217.2151 153.0625
217.6972 152.0420
218.1793 167.2285
218.6614 188.9902
219.1435 195.6318
219.6257 182.1104
220.1078 158.7480
220.5899 121.7373
221.0720 81.37109
221.5541 60.44629
222.0362 87.06348
222.5184 139.1934
223.0005 149.0205
223.4826 93.52734
223.9647 38.67285
224.4468 19.03320
224.9289 25.50586
225.4111 39.27539
225.8932 44.57812
226.3753 45.76660
226.8574 73.15820
227.3395 162.4873
227.8216 230.8633
228.3038 225.5771
228.7859 166.7422
229.2680 107.5654
229.7501 87.62988
230.2322 104.4395
230.7143 116.7266
231.1965 128.9668
231.6786 133.2793
232.1607 112.3691
232.6428 76.56738
233.1249 55.34473
233.6070 85.15039
234.0892 168.7920
234.5713 212.4707
235.0534 164.3730
235.5355 121.0547
236.0176 125.7988
236.4998 170.4150
236.9819 218.4873
237.4640 233.2305
237.9461 208.8447
238.4282 208.7451
238.9103 254.8174
239.3925 308.5820
239.8746 360.5146
240.3567 408.3066
240.8388 451.0283
241.3209 488.2812
241.8030 520.3154
242.2852 544.9990
242.7673 532.0244
243.2494 537.5518
243.7315 601.2920
244.2136 712.4941
244.6957 823.3643
245.1779 879.3506
245.6600 861.2900
246.1421 882.2090
246.6242 971.4912
247.1063 1071.388
247.5884 1158.844
248.0706 1232.172
248.5527 1301.262
249.0348 1377.165
249.5169 1463.479
249.9990 1541.056
250.4811 1600.455
250.9633 1660.080
251.4454 1727.756
251.9275 1803.412
252.4096 1887.094
252.8917 1980.344
253.3738 2088.257
253.8560 2183.453
254.3381 2248.645
254.8202 2317.901
255.3023 2416.075
255.7844 2539.314
256.2665 2663.201
256.7487 2763.811
257.2308 2842.116
257.7129 2890.535
258.1950 2908.946
258.6771 2904.978
259.1592 2882.463
259.6414 2841.502
260.1235 2780.311
260.6056 2697.391
261.0877 2593.118
261.5698 2461.322
262.0519 2289.832
262.5341 2107.422
263.0162 1920.913
263.4983 1735.985
263.9804 1566.754
264.4625 1432.618
264.9446 1347.789
265.4268 1221.828
265.9089 1006.063
266.3910 799.7891
266.8731 656.9238
267.3552 576.2979
267.8373 525.5908
268.3195 476.8799
268.8016 431.4307
269.2837 379.2695
269.7658 310.6455
270.2479 245.1143
270.7300 189.5000
271.2122 145.1699
271.6943 111.2373
272.1764 85.82129
272.6585 67.29004
273.1406 73.85840
273.6227 134.8955
274.1049 189.5547
274.5870 205.7891
275.0691 186.2559
275.5512 154.3066
276.0333 128.3662
276.5154 109.0879
276.9976 84.10840
277.4797 35.55664
277.9618 0.6250000
278.4439 0.7265630
278.9260 29.71191
279.4081 55.16699
279.8903 52.34668
280.3724 20.58789
280.8545 0.1445310
281.3366 13.33691
281.8187 14.28613
282.3008 6.935547
282.7830 41.96875
283.2651 72.65234
283.7472 85.62598
284.2293 81.77344
284.7114 80.63867
285.1935 91.15527
285.6757 94.52832
286.1578 73.99902
286.6399 41.68262
287.1220 25.25293
287.6041 44.17285
288.0862 92.25781
288.5684 117.5859
289.0505 105.1455
289.5326 88.68555
290.0147 71.69824
290.4968 56.58203
290.9789 47.88574
291.4611 49.20410
291.9432 57.09863
292.4253 54.48047
292.9074 24.20996
293.3895 3.724609
293.8716 2.311523
294.3538 14.38965
294.8359 31.03125
295.3180 49.82031
295.8001 68.06836
296.2823 76.50391
296.7644 56.78613
297.2465 48.70996
297.7286 67.26855
298.2107 94.58984
298.6928 108.3096
299.1750 99.63965
299.6571 77.58691
300.1392 65.71094
300.6213 80.33984
301.1034 86.44141
301.5855 73.41797
302.0677 59.27832
302.5498 59.51465
303.0319 78.15039
303.5140 103.5605
303.9961 113.7998
304.4782 94.58496
304.9604 83.66504
305.4425 83.44531
305.9246 88.63867
306.4067 100.7295
306.8888 118.6162
307.3709 128.6328
307.8531 105.9346
308.3352 20.74023
308.8173 24.39453
309.2994 9.733398
309.7815 22.86328
310.2636 53.69922
310.7458 76.89648
311.2279 90.65430
311.7100 90.41797
312.1921 69.05566
312.6742 62.11328
313.1563 87.21387
313.6385 109.2607
314.1206 107.8721
314.6027 86.69727
315.0848 62.07910
315.5669 51.14258
316.0490 54.91895
316.5312 62.50293
317.0133 84.76367
317.4954 100.4619
317.9775 97.65625
318.4596 82.19922
318.9417 68.65723
319.4239 68.94922
319.9060 81.45605
320.3881 82.20703
320.8702 50.17578
321.3523 29.46191
321.8344 38.51562
322.3166 63.98730
322.7987 85.61035
323.2808 92.17969
323.7629 85.34668
324.2450 69.47754
324.7271 27.48145
325.2093 2.853516
325.6914 18.18066
326.1735 49.11621
326.6556 66.44629
327.1377 56.28418
327.6198 33.32812
328.1020 30.96094
328.5841 58.32227
329.0662 78.24902
329.5483 92.28516
330.0304 95.23535
330.5125 74.43945
330.9947 25.98828
331.4768 22.27832
331.9589 25.20410
332.4410 30.49512
332.9231 69.86426
333.4052 59.79688
333.8874 42.49316
334.3695 46.76465
334.8516 75.33887
335.3337 104.7461
335.8158 107.5146
336.2979 82.63184
336.7801 68.89160
337.2622 87.41016
337.7443 101.5654
338.2264 80.72949
338.7085 30.99121
339.1906 10.43457
339.6728 10.28906
340.1549 23.45117
340.6370 45.95801
341.1191 48.87012
341.6012 50.00000
342.0833 66.59668
342.5655 91.43066
343.0476 104.9111
343.5297 89.62500
344.0118 58.16602
344.4939 36.40723
344.9760 24.91504
345.4582 21.27441
345.9403 30.16504
346.4224 45.16504
346.9045 56.14160
347.3866 55.16797
347.8687 53.85645
348.3509 71.93555
348.8330 110.2686
349.3151 134.6494
349.7972 122.8428
350.2793 87.23633
350.7614 52.31445
351.2436 11.56934
351.7257 14.50000
352.2078 1.213867
352.6899 47.63477
353.1720 75.61914
353.6541 62.49902
354.1363 28.44043
354.6184 10.09180
355.1005 10.98535
355.5826 12.07031
356.0647 0.6220700
356.5468 16.15723
357.0290 9.017578
357.5111 31.40723
357.9932 73.49805
358.4753 68.92383
358.9574 5.464844
359.4395 37.21289
359.9217 36.40625
360.4038 19.36816
360.8859 10.28906
361.3680 12.45703
361.8501 19.79297
362.3322 28.78320
362.8144 40.31641
363.2965 37.46680
363.7786 7.569336
364.2607 24.07715
364.7428 46.65332
365.2249 59.58594
365.7071 63.17871
366.1892 55.61621
366.6713 38.93555
367.1534 38.46777
367.6355 74.82812
368.1176 102.6709
368.5998 109.9746
369.0819 101.6953
369.5640 88.54883
370.0461 74.98145
370.5282 60.75879
371.0103 44.04297
371.4925 7.224609
371.9746 3.977539
372.4567 36.12793
372.9388 86.29004
373.4209 108.6865
373.9030 95.87891
374.3852 71.34277
374.8673 68.41504
375.3494 98.97070
375.8315 114.6191
376.3136 94.29102
376.7957 77.43457
377.2779 88.97266
377.7600 123.9551
378.2421 158.1113
378.7242 171.9746
379.2064 166.0049
379.6885 150.3730
380.1706 116.3086
380.6527 83.65527
381.1348 54.11914
381.6169 31.82129
382.0991 25.45312
382.5812 45.47559
383.0633 77.03809
383.5454 87.11523
384.0275 70.69922
384.5096 48.55957
384.9918 11.54883
385.4739 19.45801
385.9560 16.06543
386.4381 37.17969
386.9202 93.27246
387.4023 102.1465
387.8845 66.44629
388.3666 31.31445
388.8487 4.413086
389.3308 12.43945
389.8129 16.62402
390.2950 6.765625
390.7772 9.240234
391.2593 32.32422
391.7414 58.35254
392.2235 79.62012
392.7056 94.89062
393.1877 105.2275
393.6699 110.4082
394.1520 110.7090
394.6341 110.2656
395.1162 113.2363
395.5983 112.9160
396.0804 98.33984
396.5626 72.34082
397.0447 54.75391
397.5268 54.88672
398.0089 73.04297
398.4910 93.05664
398.9731 131.5020
399.4553 153.0195
399.9374 133.2637
400.4195 91.75488
400.9016 60.36035
401.3837 52.16602
401.8658 60.22168
402.3480 70.37109
402.8301 81.26660
403.3122 97.20801
403.7943 131.1777
404.2764 161.7295
404.7585 170.3447
405.2407 155.4922
405.7228 128.8613
406.2049 100.6162
406.6870 67.42188
407.1691 54.52344
407.6512 87.49805
408.1334 115.8428
408.6155 115.2500
409.0976 96.10840
409.5797 82.70215
410.0618 94.44043
410.5439 123.1992
411.0261 139.0771
411.5082 135.5264
411.9903 130.1025
412.4724 128.6035
412.9545 127.6885
413.4366 124.5361
413.9188 118.1592
414.4009 106.7139
414.8830 82.67285
415.3651 45.18750
415.8472 32.00488
416.3293 68.18848
416.8115 115.3984
417.2936 139.1934
417.7757 142.3711
418.2578 138.6064
418.7399 131.7842
419.2220 123.5928
419.7042 116.7803
420.1863 112.1309
420.6684 105.1143
421.1505 87.47754
421.6326 65.03125
422.1147 55.09277
422.5969 67.97754
423.0790 85.73047
423.5611 102.3818
424.0432 114.9141
424.5253 107.9961
425.0074 67.86621
425.4896 11.98340
425.9717 6.293945
426.4538 32.38770
426.9359 71.44922
427.4180 110.8691
427.9001 141.5898
428.3823 146.3291
428.8644 123.0117
429.3465 95.31641
429.8286 96.72754
430.3107 145.8721
430.7928 162.5693
431.2750 102.2656
431.7571 32.35564
432.2392 76.19305
432.7213 106.0435
433.2034 122.6570
433.6855 86.39054
434.1677 118.4108
434.6498 123.0640
435.1319 126.5943
435.6140 162.9277
436.0961 177.1592
436.5782 183.8057
437.0604 182.9648
437.5425 174.5244
438.0246 161.1738
438.5067 142.6475
438.9888 117.7451
439.4709 104.5928
439.9531 110.5723
440.4352 125.7461
440.9173 148.2764
441.3994 175.5303
441.8815 191.3936
442.3636 181.3818
442.8458 156.0186
443.3279 133.7920
443.8100 118.8652
444.2921 110.4668
444.7742 114.5947
445.2563 124.2158
445.7385 116.7598
446.2206 70.65234
446.7027 29.10352
447.1848 17.79102
447.6669 30.42285
448.1490 53.67188
448.6312 84.37695
449.1133 115.5332
449.5954 134.5918
450.0775 139.0967
450.5596 134.9375
451.0417 110.5303
451.5239 85.62012
452.0060 82.55762
452.4881 98.25781
452.9702 105.0078
453.4523 73.96582
453.9344 4.881836
454.4166 26.91504
454.8987 20.60840
455.3808 61.83691
455.8629 77.43945
456.3450 77.19727
456.8271 75.52539
457.3093 78.30371
457.7914 81.96973
458.2735 78.15332
458.7556 62.98047
459.2377 55.90430
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1229.178 12.70703
1229.661 31.00000
1230.143 15.41992
1230.625 2.553711
1231.107 62.10352
1231.589 25.37598
1232.071 38.05566
1232.553 41.30566
1233.035 72.16113
1233.517 43.38477
1234.000 33.08691
1234.482 82.54492
1234.964 98.96973
1235.446 63.48242
1235.928 96.34570
1236.410 7.212891
1236.892 25.22754
1237.374 89.50195
1237.856 57.26172
1238.339 91.48242
1238.821 100.4756
1239.303 5.401367
1239.785 88.64453
1240.267 96.30176
1240.749 15.25391
1241.231 102.6006
1241.713 33.88281
1242.196 20.94043
1242.678 49.97363
1243.160 35.34180
1243.642 89.67285
1244.124 77.65918
1244.606 59.76953
1245.088 67.81250
1245.570 52.03125
1246.052 73.43457
1246.535 51.41211
1247.017 73.92285
1247.499 103.0869
1247.981 52.68555
1248.463 91.95703
1248.945 3.030273
1249.427 13.80078
1249.909 14.18652
1250.392 24.70312
1250.874 27.10840
1251.356 65.69824
1251.838 84.01270
1252.320 40.62109
1252.802 3.565430
1253.284 67.21680
1253.766 187.8760
1254.249 215.9961
1254.731 161.3340
1255.213 119.1240
1255.695 95.45508
1256.177 91.58594
1256.659 104.0762
1257.141 108.3896
1257.623 90.03027
1258.105 61.47461
1258.588 13.46289
1259.070 18.42773
1259.552 11.73340
1260.034 61.57910
1260.516 73.87793
1260.998 62.86230
1261.480 58.85645
1261.962 67.17969
1262.444 68.82715
1262.927 44.82715
1263.409 34.94336
1263.891 41.63574
1264.373 64.81934
1264.855 62.93359
1265.337 51.77344
1265.819 43.83105
1266.301 41.04590
1266.784 31.11035
1267.266 16.34668
1267.748 0.0000000E+00
