#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:29:06 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1135 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000558.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_1000558
loop_
_publ_author_name
'Mereiter, K.'
_publ_section_title
;
 Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note:
 Crystal is from the Paar et al (1986) mineral description paper Locality:
 Susanna mine, Leadhills, Scotland
;
_journal_name_full               'Private communication'
_journal_page_first              1
_journal_page_last               1
_journal_volume                  1
_journal_year                    2009
_chemical_compound_source        R130276
_chemical_formula_structural     Pb4Cu(SO4)2(OH)6
_chemical_formula_sum            'Cu H6 O14 Pb4 S2'
_chemical_name_mineral           Chenite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.994
_cell_angle_beta                 97.765
_cell_angle_gamma                100.426
_cell_length_a                   5.7960
_cell_length_b                   7.9471
_cell_length_c                   7.9836
_cell_volume                     326.939
_exptl_crystal_density_diffrn    6.026
_cod_original_formula_sum        'Pb4 Cu S2 O14 H6'
_cod_database_code               9014000
_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            R130276.rod
_rod_data_source.block           3500000
_rod_database.code               1000558
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 9014000 COD http://www.crystallography.net/cod/9014000.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
169.7845 0.0000000E+00
170.2667 0.1555750
170.7488 0.2026860
171.2309 0.2630540
171.7130 0.4458890
172.1951 0.5250740
172.6772 0.3527790
173.1594 0.1716920
173.6415 1.3344000E-02
174.1236 2.5172999E-02
174.6057 5.4164998E-02
175.0878 8.5964002E-02
175.5699 6.7059998E-03
176.0521 5.2852999E-02
176.5342 9.2026003E-02
177.0163 8.6552002E-02
177.4984 1.9745000E-02
177.9805 0.2980920
178.4626 0.7518690
178.9448 0.9488870
179.4269 0.5942040
179.9090 0.2740860
180.3911 0.1144100
180.8732 0.1314320
181.3553 0.3331220
181.8375 0.7616270
182.3196 1.469097
182.8017 1.853058
183.2838 1.597332
183.7659 1.372864
184.2480 1.583576
184.7301 2.186417
185.2123 2.809021
185.6944 3.086487
186.1765 2.952496
186.6586 3.010914
187.1407 3.378448
187.6228 3.844383
188.1050 4.288208
188.5871 4.689968
189.0692 5.030361
189.5513 5.257175
190.0334 5.374622
190.5155 5.561035
190.9977 5.769234
191.4798 6.084782
191.9619 6.701641
192.4440 7.707779
192.9261 8.671127
193.4082 9.021202
193.8904 8.947464
194.3725 9.010590
194.8546 9.477333
195.3367 10.18070
195.8188 10.79636
196.3009 11.28156
196.7831 11.71434
197.2652 12.14154
197.7473 12.56890
198.2294 12.99729
198.7115 13.42894
199.1936 13.86369
199.6758 14.29551
200.1579 14.70909
200.6400 15.14257
201.1221 15.67031
201.6042 16.23820
202.0863 16.70296
202.5685 16.87688
203.0506 16.79000
203.5327 16.97508
204.0148 17.71296
204.4969 18.44929
204.9790 18.98600
205.4612 19.34789
205.9433 19.63985
206.4254 19.96828
206.9075 20.34617
207.3896 20.50294
207.8717 20.12682
208.3539 19.80270
208.8360 19.75275
209.3181 19.92466
209.8002 20.13445
210.2823 20.22017
210.7644 20.16721
211.2466 20.11677
211.7287 20.18852
212.2108 20.15564
212.6929 19.90255
213.1750 19.45393
213.6571 18.89798
214.1393 18.29483
214.6214 17.61337
215.1035 17.12365
215.5856 16.95953
216.0677 16.82130
216.5498 16.54818
217.0320 16.15102
217.5141 15.73278
217.9962 15.37174
218.4783 15.06656
218.9604 14.93881
219.4425 15.26424
219.9247 15.52340
220.4068 15.31287
220.8889 14.66306
221.3710 13.97737
221.8531 13.59624
222.3352 13.55142
222.8174 13.50952
223.2995 13.51633
223.7816 13.49323
224.2637 13.28504
224.7458 12.92882
225.2279 12.77060
225.7100 13.19118
226.1922 14.03041
226.6743 14.55552
227.1564 14.53080
227.6385 14.31224
228.1206 14.28059
228.6027 14.47361
229.0849 14.74640
229.5670 14.96053
230.0491 15.10275
230.5312 15.28322
231.0133 15.67356
231.4954 16.02530
231.9776 15.94992
232.4597 15.37214
232.9418 14.92971
233.4239 15.18136
233.9060 15.82173
234.3881 16.40192
234.8703 16.79903
235.3524 17.08110
235.8345 17.38294
236.3166 17.74799
236.7987 17.95748
237.2808 17.74461
237.7630 17.36005
238.2451 17.07816
238.7272 17.01749
239.2093 17.04483
239.6914 16.91711
240.1735 16.55426
240.6557 16.29449
241.1378 16.48546
241.6199 16.74917
242.1020 16.66990
242.5841 16.04819
243.0662 15.21300
243.5484 14.77237
244.0305 14.91727
244.5126 14.93639
244.9947 14.52270
245.4768 13.96832
245.9589 13.52847
246.4410 13.29322
246.9232 13.14004
247.4053 12.83791
247.8874 12.30057
248.3695 11.82129
248.8516 11.43737
249.3337 11.13137
249.8159 10.92780
250.2980 10.82796
250.7801 10.74645
251.2622 10.54950
251.7443 10.24822
252.2264 9.790386
252.7086 8.882698
253.1907 8.027424
253.6728 7.638828
254.1549 7.798538
254.6370 8.206352
255.1191 8.415604
255.6013 8.356682
256.0834 8.230392
256.5655 7.993546
257.0476 7.740181
257.5297 7.518059
258.0118 7.342377
258.4940 7.213486
258.9761 7.149754
259.4582 7.237936
259.9403 7.159950
260.4224 6.808203
260.9045 6.409319
261.3867 6.078707
261.8688 5.840052
262.3509 5.681038
262.8330 5.602962
263.3151 5.666298
263.7972 5.578539
264.2794 5.266096
264.7615 4.897551
265.2436 4.522858
265.7257 4.170429
266.2078 3.886789
266.6899 3.729160
267.1721 3.727571
267.6542 3.663355
268.1363 3.553585
268.6184 3.381741
269.1005 3.106386
269.5826 2.752338
270.0648 2.404379
270.5469 2.141701
271.0290 1.972797
271.5111 1.675741
271.9932 1.044456
272.4753 0.5141330
272.9575 0.3225960
273.4396 0.3947390
273.9217 0.5021590
274.4038 0.4875810
274.8859 0.3676030
275.3680 0.3524530
275.8501 0.5423790
276.3322 0.7024840
276.8144 0.7779010
277.2965 0.7648140
277.7786 0.6479570
278.2607 0.4046710
278.7428 7.2549999E-02
279.2249 0.1875380
279.7071 0.3551450
280.1892 0.4931700
280.6713 0.6685410
281.1534 0.8191170
281.6355 0.7989040
282.1176 0.5210080
282.5998 0.1153680
283.0819 6.5927997E-02
283.5640 9.2730999E-02
284.0461 0.2152610
284.5282 0.1322330
285.0103 8.1839999E-03
285.4925 8.5100003E-02
285.9746 0.5410580
286.4567 1.045219
286.9388 0.9893040
287.4209 0.1495970
287.9030 0.4369370
288.3852 0.4505230
288.8673 0.1884060
289.3494 3.6070000E-03
289.8315 4.6934001E-02
290.3136 3.8766999E-02
290.7957 0.1155640
291.2779 0.3010080
291.7600 0.3691560
292.2421 0.2205520
292.7242 1.1715000E-02
293.2063 0.2155900
293.6884 0.3757820
294.1706 0.4917070
294.6527 0.5412250
295.1348 0.5258240
295.6169 0.5805930
296.0990 0.7652590
296.5811 0.9819300
297.0633 1.168028
297.5454 1.318325
298.0275 1.438677
298.5096 1.545609
298.9917 1.619860
299.4738 1.595699
299.9560 1.347776
300.4381 1.117838
300.9202 1.015593
301.4023 1.042711
301.8844 1.207632
302.3665 1.550413
302.8487 2.013815
303.3308 2.424238
303.8129 2.803766
304.2950 3.108322
304.7771 3.313011
305.2592 3.427588
305.7414 3.447668
306.2235 3.329903
306.7056 3.194366
307.1877 3.298824
307.6698 3.681000
308.1519 4.075333
308.6341 4.391888
309.1162 4.665989
309.5983 4.952127
310.0804 5.262123
310.5625 5.591320
311.0446 5.954502
311.5268 6.359756
312.0089 6.685541
312.4910 6.805462
312.9731 6.880365
313.4552 7.129494
313.9373 7.589142
314.4195 8.077374
314.9016 8.404274
315.3837 8.586924
315.8658 8.879646
316.3479 9.430534
316.8300 10.00846
317.3121 10.38697
317.7943 10.57582
318.2764 10.78973
318.7585 11.18763
319.2406 11.72840
319.7227 12.19339
320.2048 12.54320
320.6870 12.86196
321.1691 13.20879
321.6512 13.56606
322.1333 13.86707
322.6154 14.06185
323.0975 14.20167
323.5797 14.41024
324.0618 14.68937
324.5439 15.01519
325.0260 15.48131
325.5081 15.97525
325.9902 16.26403
326.4724 16.25278
326.9545 16.09482
327.4366 15.97017
327.9187 15.82759
328.4008 15.94982
328.8829 16.71109
329.3651 17.61643
329.8472 18.00155
330.3293 17.75157
330.8114 17.41043
331.2935 17.54763
331.7756 18.21036
332.2578 18.70377
332.7399 18.91809
333.2220 19.02102
333.7041 19.07612
334.1862 19.11161
334.6683 19.24993
335.1505 19.59605
335.6326 20.09952
336.1147 20.44884
336.5968 20.60642
337.0789 20.68150
337.5610 20.68022
338.0432 20.63353
338.5253 20.60856
339.0074 20.63324
339.4895 20.66329
339.9716 20.61466
340.4537 20.51766
340.9359 20.36395
341.4180 20.00436
341.9001 19.60905
342.3822 19.48259
342.8643 19.72018
343.3464 20.04773
343.8286 20.06190
344.3107 19.62625
344.7928 19.19414
345.2749 18.79565
345.7570 18.42401
346.2391 18.08388
346.7213 17.78299
347.2034 17.54133
347.6855 17.40140
348.1676 17.37399
348.6497 17.19993
349.1318 16.63698
349.6140 16.18865
350.0961 16.11455
350.5782 16.34004
351.0603 16.67821
351.5424 17.04010
352.0245 17.40002
352.5067 17.64539
352.9888 17.61544
353.4709 17.67007
353.9530 17.89139
354.4351 18.20407
354.9172 18.52123
355.3994 18.81245
355.8815 19.10552
356.3636 19.45255
356.8457 19.89493
357.3278 20.30796
357.8099 20.67005
358.2920 21.02193
358.7741 21.37501
359.2563 21.74037
359.7384 22.14030
360.2205 22.60665
360.7026 23.15171
361.1847 23.64318
361.6668 24.07567
362.1490 24.46381
362.6311 24.77245
363.1132 25.04407
363.5953 25.35193
364.0774 25.74409
364.5595 26.19771
365.0417 26.63079
365.5238 27.27014
366.0059 27.54254
366.4880 27.24039
366.9701 26.63538
367.4522 25.94807
367.9344 25.26351
368.4165 24.59483
368.8986 23.99648
369.3807 23.58498
369.8628 22.91620
370.3449 21.77509
370.8271 20.55867
371.3092 19.45053
371.7913 18.46273
372.2734 17.49888
372.7555 16.50355
373.2376 15.47664
373.7198 14.30536
374.2019 12.66283
374.6840 11.29440
375.1661 10.62595
375.6482 10.33010
376.1303 9.902561
376.6125 9.075476
377.0946 8.024542
377.5767 7.109791
378.0588 6.316547
378.5409 5.708246
379.0230 5.452248
379.5052 5.293419
379.9873 5.040539
380.4694 4.655600
380.9515 4.224905
381.4336 3.834469
381.9157 3.482431
382.3979 3.109200
382.8800 2.617287
383.3621 2.219393
383.8442 2.073969
384.3263 2.135704
384.8084 2.232786
385.2906 2.369644
385.7727 2.462187
386.2548 2.248940
386.7369 1.626915
387.2190 1.074375
387.7011 0.9279210
388.1833 1.006359
388.6654 1.079815
389.1475 1.131475
389.6296 1.122339
390.1117 1.003551
390.5938 0.7838610
391.0760 0.5240610
391.5581 0.2045440
392.0402 9.6070997E-02
392.5223 0.2550620
393.0044 0.2637920
393.4865 0.2826790
393.9687 0.3888780
394.4508 0.5389330
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396.3792 0.7313290
396.8614 0.3220600
397.3435 7.5689003E-02
397.8256 0.1441480
398.3077 0.2598270
398.7898 0.2343370
399.2719 0.1021000
399.7540 1.5221000E-02
400.2361 6.7345001E-02
400.7183 0.1857720
401.2004 0.1474550
401.6825 0.1369990
402.1646 0.3941750
402.6467 0.5969050
403.1288 0.7389410
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404.0931 0.6971910
404.5752 0.6291370
405.0573 0.6955990
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406.0215 1.252924
406.5037 1.905106
406.9858 2.533760
407.4679 2.931759
407.9500 3.172344
408.4321 3.465584
408.9142 3.949905
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410.3606 5.627714
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411.8069 7.370405
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414.6996 10.96901
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415.6639 11.58616
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417.1102 13.94369
417.5923 14.81005
418.0745 15.68219
418.5566 16.71606
419.0387 17.99719
419.5208 19.23926
420.0029 20.31932
420.4850 21.33517
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421.4493 23.38717
421.9314 24.46236
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422.8956 26.67336
423.3777 28.04501
423.8599 29.81809
424.3420 31.69706
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425.3062 35.23639
425.7883 36.89071
426.2704 38.50403
426.7526 40.02567
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427.7168 42.89180
428.1989 43.82516
428.6810 44.07494
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429.6453 42.64652
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431.0916 36.20896
431.5737 32.75105
432.0558 29.37090
432.5380 26.21520
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433.5022 20.58714
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434.4664 15.98470
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437.3591 9.421453
437.8412 8.672104
438.3234 8.012160
438.8055 7.371181
439.2876 6.914400
439.7697 6.725769
440.2518 6.686720
440.7339 6.721625
441.2160 6.799585
441.6982 6.884353
442.1803 6.931545
442.6624 6.933176
443.1445 6.947042
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445.0730 7.067536
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448.9299 8.052812
449.4120 8.181577
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450.8584 8.144804
451.3405 8.170112
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452.3047 7.997196
452.7868 7.900476
453.2690 8.058078
453.7511 8.312629
454.2332 8.430368
454.7153 8.326250
455.1974 8.168976
455.6795 8.050418
456.1617 7.973938
456.6438 7.981685
457.1259 8.110686
457.6080 8.289645
458.0901 8.449264
458.5722 8.594313
459.0544 8.624392
459.5365 8.409559
460.0186 8.164488
460.5007 8.117952
460.9828 8.241704
461.4649 8.324410
461.9471 8.238935
462.4292 8.013253
462.9113 7.753716
463.3934 7.357945
463.8755 7.022168
464.3576 6.880213
464.8398 6.752239
465.3219 6.416295
465.8040 5.848085
466.2861 5.235770
466.7682 4.781178
467.2503 4.490666
467.7325 4.265856
468.2146 4.132833
468.6967 4.038774
469.1788 4.019835
469.6609 4.017695
470.1430 3.951653
470.6252 3.786098
471.1073 3.553503
471.5894 3.303117
472.0715 3.031096
472.5536 2.755851
473.0357 2.464589
473.5179 2.187953
474.0000 1.925061
474.4821 1.689174
474.9642 1.514030
475.4463 1.467871
475.9284 1.480827
476.4106 1.345149
476.8927 1.013098
477.3748 0.8508870
477.8569 1.199754
478.3390 1.729012
478.8211 1.910373
479.3033 1.657418
479.7854 1.298300
480.2675 0.9073750
480.7496 0.5427060
481.2317 0.3364350
481.7138 0.3171090
482.1959 0.3338040
482.6780 0.2458630
483.1602 5.6159001E-02
483.6423 6.6647001E-02
484.1244 0.1075910
484.6065 0.1029250
485.0886 3.6276001E-02
485.5707 5.9413999E-02
486.0529 0.1312740
486.5350 0.1596620
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