#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:29:08 +0300 (Thu, 26 Apr 2018) $
#$Revision: 485 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000040.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_1000040
loop_
_publ_author_name
'Lebas, G.'
'le Bihan, M. T.'
_publ_section_title
;
 Etude chimique et structurale d'un sulfure naturel: la zinckenite
 Locality: Oruro, Bolivia
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              351
_journal_page_last               360
_journal_volume                  99
_journal_year                    1976
_chemical_compound_source        R060186
_chemical_formula_sum            'Pb1.6 S7 Sb3.4'
_chemical_name_mineral           Zinkenite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   22.12
_cell_length_b                   22.12
_cell_length_c                   4.32
_cell_volume                     1830.563
_exptl_crystal_density_diffrn    5.279
_cod_original_formula_sum        'Sb3.4 Pb1.6 S7'
_cod_database_code               9012083
_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            R060186.rod
_rod_data_source.block           3500000
_rod_database.code               1000040
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 9012083 COD http://www.crystallography.net/cod/9012083.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
125.2914 0.0000000E+00
125.7735 13.75098
126.2557 31.08130
126.7378 49.90417
127.2199 66.41565
127.7020 80.00232
128.1841 91.14069
128.6662 98.34033
129.1483 101.7648
129.6305 105.6111
130.1126 109.2437
130.5947 109.2382
131.0768 103.6306
131.5589 93.03711
132.0410 77.50354
132.5232 61.20312
133.0053 46.80701
133.4874 35.49603
133.9695 26.42261
134.4516 18.40607
134.9337 10.94037
135.4159 5.587036
135.8980 3.458618
136.3801 2.036011
136.8622 1.068420
137.3443 0.4700320
137.8264 0.1652220
138.3086 0.1386110
138.7907 0.4163210
139.2728 0.8461300
139.7549 2.462402
140.2370 3.093994
140.7191 1.945679
141.2013 0.1607670
141.6834 2.097290
142.1655 3.363525
142.6476 3.937134
143.1297 3.840942
143.6118 3.237183
144.0939 1.007446
144.5761 5.484619
145.0582 14.85388
145.5403 24.85571
146.0224 33.45361
146.5045 40.37915
146.9866 46.25427
147.4688 52.09766
147.9509 59.22986
148.4330 67.90942
148.9151 78.30164
149.3972 89.35425
149.8793 99.61255
150.3615 110.4619
150.8436 124.1381
151.3257 141.9116
151.8078 162.7168
152.2899 184.1050
152.7720 207.2762
153.2542 229.2170
153.7363 249.6719
154.2184 268.3474
154.7005 285.4191
155.1826 301.8884
155.6647 317.1222
156.1469 323.9456
156.6290 318.6233
157.1111 307.0813
157.5932 289.7041
158.0753 267.2467
158.5574 240.5784
159.0396 209.8757
159.5217 174.4744
160.0038 141.1361
160.4859 109.9406
160.9680 80.35071
161.4501 51.48132
161.9323 23.81848
162.4144 0.9594730
162.8965 20.99207
163.3786 35.57043
163.8607 46.95105
164.3428 55.12720
164.8250 60.47961
165.3071 63.00317
165.7892 62.75708
166.2713 60.30054
166.7534 56.14990
167.2355 50.28064
167.7177 42.41003
168.1998 31.81152
168.6819 19.35229
169.1640 6.113647
169.6461 7.697266
170.1282 22.16833
170.6104 37.04077
171.0925 52.21106
171.5746 68.92859
172.0567 87.91602
172.5388 108.7974
173.0209 130.6222
173.5031 153.7379
173.9852 176.9982
174.4673 199.5591
174.9494 221.4537
175.4315 243.6475
175.9136 266.2297
176.3958 289.2996
176.8779 314.2970
177.3600 343.2472
177.8421 372.8173
178.3242 400.6562
178.8063 426.9257
179.2885 453.2087
179.7706 481.3801
180.2527 511.8524
180.7348 542.7496
181.2169 573.4463
181.6990 604.9434
182.1812 638.0708
182.6633 672.9030
183.1454 706.8182
183.6275 739.0415
184.1096 767.6692
184.5917 798.6821
185.0738 833.2837
185.5560 868.9988
186.0381 904.0677
186.5202 938.0266
187.0023 971.4645
187.4844 1005.204
187.9665 1041.299
188.4487 1074.237
188.9308 1104.521
189.4129 1131.406
189.8950 1154.382
190.3771 1173.154
190.8592 1187.525
191.3414 1196.871
191.8235 1201.457
192.3056 1200.251
192.7877 1191.911
193.2698 1178.062
193.7519 1160.250
194.2341 1138.616
194.7162 1114.536
195.1983 1090.642
195.6804 1067.650
196.1625 1043.010
196.6446 1014.567
197.1268 983.8479
197.6089 954.0398
198.0910 925.8442
198.5731 899.4745
199.0552 875.0146
199.5373 852.2185
200.0195 831.1832
200.5016 813.0071
200.9837 797.0151
201.4658 779.6370
201.9479 758.5713
202.4300 736.8743
202.9122 718.3829
203.3943 703.3999
203.8764 688.7156
204.3585 671.7505
204.8406 652.5059
205.3227 633.0583
205.8048 613.3645
206.2870 594.1348
206.7691 576.4958
207.2512 560.5518
207.7333 544.3247
208.2154 525.1912
208.6975 502.3762
209.1797 481.2634
209.6618 463.9447
210.1439 447.7839
210.6260 431.4291
211.1081 414.6665
211.5902 398.2944
212.0724 383.4395
212.5545 370.6669
213.0366 357.9774
213.5187 343.8462
214.0008 330.7219
214.4829 319.9575
214.9651 311.9056
215.4472 306.0460
215.9293 301.5820
216.4114 297.9728
216.8935 297.2727
217.3756 300.5569
217.8578 305.3950
218.3399 309.8384
218.8220 313.5797
219.3041 318.0673
219.7862 325.4933
220.2683 336.9178
220.7505 349.3749
221.2326 363.5162
221.7147 378.1796
222.1968 392.0203
222.6789 404.9454
223.1610 418.6724
223.6432 435.8496
224.1253 458.9015
224.6074 480.8984
225.0895 500.0466
225.5716 519.2656
226.0537 541.2671
226.5358 566.6888
227.0180 593.7737
227.5001 620.0358
227.9822 644.6118
228.4643 670.7896
228.9464 698.7417
229.4285 728.3730
229.9107 760.0146
230.3928 793.7930
230.8749 827.5854
231.3570 857.8496
231.8391 884.1162
232.3212 911.9678
232.8034 944.0950
233.2855 977.4998
233.7676 1008.543
234.2497 1036.551
234.7318 1062.382
235.2139 1087.711
235.6961 1112.458
236.1782 1132.673
236.6603 1146.997
237.1424 1156.274
237.6245 1162.007
238.1066 1164.563
238.5888 1162.818
239.0709 1155.303
239.5530 1142.824
240.0351 1125.469
240.5172 1102.778
240.9993 1075.244
241.4815 1043.520
241.9636 1006.700
242.4457 967.5417
242.9278 926.8621
243.4099 885.3524
243.8920 844.5729
244.3742 805.9924
244.8563 768.5938
245.3384 729.4861
245.8205 687.2107
246.3026 646.7661
246.7847 610.3042
247.2668 577.4851
247.7490 548.2454
248.2311 522.9473
248.7132 501.1057
249.1953 481.1177
249.6774 463.2969
250.1595 447.0040
250.6417 430.4667
251.1238 415.4622
251.6059 404.6559
252.0880 399.6790
252.5701 399.1034
253.0522 399.2920
253.5344 399.8685
254.0165 402.1670
254.4986 405.9448
254.9807 411.5568
255.4628 419.4565
255.9449 429.8594
256.4271 442.5570
256.9092 457.1365
257.3913 473.4506
257.8734 492.2058
258.3555 513.3569
258.8376 536.5323
259.3198 561.1949
259.8019 587.0555
260.2840 615.0443
260.7661 647.1892
261.2482 684.4784
261.7303 724.5369
262.2125 767.3655
262.6946 812.3240
263.1767 858.4567
263.6588 905.7262
264.1409 954.8032
264.6230 1007.552
265.1052 1066.040
265.5873 1124.422
266.0694 1181.012
266.5515 1238.129
267.0336 1296.585
267.5157 1356.778
267.9979 1419.824
268.4800 1487.121
268.9621 1559.309
269.4442 1634.527
269.9263 1712.436
270.4084 1792.972
270.8906 1874.730
271.3727 1958.061
271.8548 2045.350
272.3369 2139.849
272.8190 2242.259
273.3011 2348.308
273.7833 2458.238
274.2654 2570.615
274.7475 2684.716
275.2296 2800.396
275.7117 2916.877
276.1938 3033.233
276.6760 3149.238
277.1581 3267.582
277.6402 3394.421
278.1223 3517.702
278.6044 3634.598
279.0865 3743.957
279.5686 3844.595
280.0508 3936.556
280.5329 4019.918
281.0150 4081.861
281.4971 4127.831
281.9792 4152.126
282.4613 4153.075
282.9435 4130.612
283.4256 4084.175
283.9077 4012.834
284.3898 3917.159
284.8719 3806.352
285.3540 3673.569
285.8362 3535.397
286.3183 3392.723
286.8004 3247.934
287.2825 3103.562
287.7646 2960.004
288.2467 2819.936
288.7289 2690.935
289.2110 2569.370
289.6931 2462.501
290.1752 2374.461
290.6573 2301.762
291.1394 2240.503
291.6216 2189.149
292.1037 2148.447
292.5858 2120.168
293.0679 2106.510
293.5500 2101.508
294.0321 2106.833
294.5143 2119.641
294.9964 2137.523
295.4785 2159.854
295.9606 2185.636
296.4427 2213.848
296.9248 2245.517
297.4070 2276.833
297.8891 2306.704
298.3712 2336.763
298.8533 2368.311
299.3354 2401.488
299.8175 2436.225
300.2997 2472.585
300.7818 2510.861
301.2639 2549.350
301.7460 2588.975
302.2281 2627.829
302.7102 2664.258
303.1924 2698.442
303.6745 2732.990
304.1566 2770.424
304.6387 2810.391
305.1208 2847.631
305.6029 2880.816
306.0851 2913.008
306.5672 2944.235
307.0493 2975.429
307.5314 3009.746
308.0135 3049.685
308.4956 3093.535
308.9778 3133.314
309.4599 3172.793
309.9420 3204.789
310.4241 3233.367
310.9062 3252.402
311.3883 3251.613
311.8705 3228.282
312.3526 3178.792
312.8347 3092.574
313.3168 2972.385
313.7989 2818.618
314.2810 2620.104
314.7632 2391.935
315.2453 2145.380
315.7274 1883.060
316.2095 1620.575
316.6916 1375.775
317.1737 1146.953
317.6559 944.9810
318.1380 773.7029
318.6201 627.9887
319.1022 505.9143
319.5843 406.0519
320.0664 323.5253
320.5485 254.7535
321.0306 201.7044
321.5128 156.7896
321.9949 122.2671
322.4770 93.36160
322.9591 67.33801
323.4412 44.26120
323.9233 24.96466
324.4055 10.57056
324.8876 0.5514220
325.3697 8.443756
325.8518 16.45450
326.3339 23.65793
326.8160 30.34146
327.2982 36.29745
327.7803 41.11545
328.2624 44.53732
328.7445 46.88028
329.2266 48.98761
329.7087 51.14725
330.1909 52.64459
330.6730 52.89105
331.1551 52.53641
331.6372 52.49811
332.1193 53.05356
332.6014 53.67102
333.0836 53.62622
333.5657 52.73578
334.0478 51.51599
334.5299 49.94318
335.0120 48.05554
335.4941 45.73917
335.9763 43.02512
336.4584 40.37085
336.9405 38.24728
337.4226 36.73795
337.9047 34.70386
338.3868 32.03922
338.8690 29.05759
339.3511 25.61584
339.8332 21.94733
340.3153 18.70508
340.7974 16.37393
341.2795 14.76436
341.7617 12.60178
342.2438 9.719711
342.7259 6.573105
343.2080 3.041245
343.6901 0.6407780
344.1722 4.102615
344.6544 7.191330
345.1365 10.10652
345.6186 13.27010
346.1007 16.99699
346.5828 20.50700
347.0649 23.60269
347.5471 26.60202
348.0292 29.86848
348.5113 33.43651
348.9934 36.94415
349.4755 39.94568
349.9576 42.27513
350.4398 44.76706
350.9219 47.34901
351.4040 50.11166
351.8861 53.22462
352.3682 56.59650
352.8503 59.96645
353.3325 63.14575
353.8146 66.13939
354.2967 69.02301
354.7788 71.79257
355.2609 74.46085
355.7430 77.02875
356.2252 79.49536
356.7073 81.86411
357.1894 84.14113
357.6715 86.31052
358.1536 88.30154
358.6357 89.92654
359.1179 91.65450
359.5999 93.52293
360.0821 95.47317
360.5642 97.58204
361.0463 99.80390
361.5284 101.8794
362.0105 103.4678
362.4926 104.4941
362.9748 105.2947
363.4569 105.4769
363.9390 105.8171
364.4211 106.7550
364.9032 108.1504
365.3853 109.6156
365.8675 110.8570
366.3496 111.8970
366.8317 112.9542
367.3138 113.9926
367.7959 115.1106
368.2780 116.5410
368.7602 117.9881
369.2423 118.9987
369.7244 119.3657
370.2065 119.4930
370.6886 120.2258
371.1707 121.8692
371.6529 123.3645
372.1350 124.3872
372.6171 125.3425
373.0992 126.4714
373.5813 127.8178
374.0634 129.2669
374.5456 130.8299
375.0277 132.5345
375.5098 133.7495
375.9919 133.7811
376.4740 134.0818
376.9561 135.6121
377.4383 137.9131
377.9204 139.8789
378.4025 140.6434
378.8846 140.7697
379.3667 141.9463
379.8488 144.6228
380.3310 147.1900
380.8131 148.9191
381.2952 150.2457
381.7773 151.6139
382.2594 153.1701
382.7415 154.5876
383.2237 155.1215
383.7058 154.6917
384.1879 154.2496
384.6700 154.2950
385.1521 154.1477
385.6342 153.2323
386.1164 151.6285
386.5985 149.5855
387.0806 147.1173
387.5627 144.3195
388.0448 141.4169
388.5269 138.4596
389.0091 135.6837
389.4912 133.7088
389.9733 131.9689
390.4554 129.1902
390.9375 124.4841
391.4196 119.3659
391.9018 115.2240
392.3839 111.9848
392.8660 108.8100
393.3481 105.3169
393.8302 101.7696
394.3123 98.65865
394.7945 96.06856
395.2766 93.42704
395.7587 90.63102
396.2408 87.70535
396.7229 84.53696
397.2050 81.08073
397.6872 77.80264
398.1693 75.24297
398.6514 73.41760
399.1335 71.32790
399.6156 68.75288
400.0977 66.15559
400.5798 63.82568
401.0620 61.78378
401.5441 59.92796
402.0262 58.16753
402.5083 56.48846
402.9904 54.98630
403.4725 53.73315
403.9547 52.57538
404.4368 51.37263
404.9189 50.23763
405.4010 49.41562
405.8831 48.97623
406.3652 48.62555
406.8474 47.88190
407.3295 46.45066
407.8116 45.39323
408.2937 45.11988
408.7758 44.82956
409.2579 43.96999
409.7401 42.66809
410.2222 41.44359
410.7043 40.67566
411.1864 40.30040
411.6685 39.85114
412.1506 39.10922
412.6328 38.56473
413.1149 38.55862
413.5970 38.64998
414.0791 38.24980
414.5612 37.17946
415.0433 35.94081
415.5255 35.33588
416.0076 35.52809
416.4897 35.76999
416.9718 36.27986
417.4539 36.60889
417.9360 36.35069
418.4182 35.67522
418.9003 35.16389
419.3824 35.28275
419.8645 35.88839
420.3466 36.41187
420.8287 36.94448
421.3109 37.16551
421.7930 36.79630
422.2751 36.14095
422.7572 35.46653
423.2393 34.80544
423.7214 34.32262
424.2036 34.26501
424.6857 34.61768
425.1678 34.99629
425.6499 35.39276
426.1320 35.69646
426.6141 35.79263
427.0963 35.69693
427.5784 35.56095
428.0605 35.52225
428.5426 35.46140
429.0247 35.15561
429.5068 34.57841
429.9890 33.94873
430.4711 33.37128
430.9532 32.86024
431.4353 32.42470
431.9174 32.10904
432.3995 31.80775
432.8817 31.62486
433.3638 31.39940
433.8459 30.66976
434.3280 29.23756
434.8101 27.67074
435.2922 26.78040
435.7744 26.76505
436.2565 26.64994
436.7386 26.36849
437.2207 26.00491
437.7028 25.58337
438.1849 25.12914
438.6671 24.71553
439.1492 24.40544
439.6313 24.16101
440.1134 23.76400
440.5955 23.07493
441.0776 22.40552
441.5598 21.90282
442.0418 21.38216
442.5240 20.56600
443.0061 19.42445
443.4882 18.28886
443.9703 17.65755
444.4524 17.72930
444.9345 17.37573
445.4167 16.19777
445.8988 14.98497
446.3809 13.94161
446.8630 13.08175
447.3451 12.38428
447.8272 11.84895
448.3094 11.44334
448.7915 11.10625
449.2736 10.87433
449.7557 10.60123
450.2378 10.13628
450.7199 9.698853
451.2021 9.544540
451.6842 9.668854
452.1663 9.660110
452.6484 9.045059
453.1305 7.989746
453.6126 7.294357
454.0948 7.178726
454.5769 7.010651
455.0590 6.064331
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