#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:47:57 +0300 (Thu, 24 May 2018) $
#$Revision: 780 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000277.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_1000277
loop_
_publ_author_name
'Kolitsch, U.'
'Giester, G.'
_publ_section_title
;
 Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1816
_journal_page_last               1821
_journal_volume                  85
_journal_year                    2000
_chemical_compound_source        R090024
_chemical_formula_sum            'Cu H5 O11 Pb4 S'
_chemical_name_mineral           Elyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.45
_cell_angle_gamma                90
_cell_length_a                   14.233
_cell_length_b                   11.532
_cell_length_c                   14.611
_cell_volume                     2358.399
_exptl_crystal_density_diffrn    6.227
_cod_original_formula_sum        'Pb4 Cu S O11 H5'
_cod_database_code               9002509
_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            R090024.rod
_rod_data_source.block           3500000
_rod_database.code               1000277
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 9002509 COD http://www.crystallography.net/cod/9002509.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
196.5096 0.0000000E+00
196.9917 0.8126370
197.4738 1.510406
197.9560 1.547272
198.4381 0.3987730
198.9202 9.0026997E-02
199.4023 0.3620150
199.8844 1.184998
200.3665 1.436172
200.8487 1.091156
201.3308 0.7257390
201.8129 0.6116790
202.2950 0.7657470
202.7771 1.050339
203.2592 1.429123
203.7414 1.890610
204.2235 2.571411
204.7056 3.650864
205.1877 4.503387
205.6698 4.679550
206.1519 3.873993
206.6341 3.252319
207.1162 2.922806
207.5983 2.816238
208.0804 2.798233
208.5625 2.627670
209.0446 2.380692
209.5268 2.197021
210.0089 2.298996
210.4910 2.608078
210.9731 3.065491
211.4552 3.759445
211.9373 5.440460
212.4195 6.110062
212.9016 6.679047
213.3837 7.340271
213.8658 6.086105
214.3479 6.292908
214.8300 6.660141
215.3121 6.562912
215.7943 6.566574
216.2764 6.758636
216.7585 6.926285
217.2406 7.094803
217.7227 7.480026
218.2048 7.136658
218.6870 5.653397
219.1691 3.636810
219.6512 2.532303
220.1333 2.695251
220.6154 3.109665
221.0975 3.422058
221.5797 3.754532
222.0618 3.572067
222.5439 2.580780
223.0260 1.219223
223.5081 0.4676820
223.9902 0.5583040
224.4724 0.8782650
224.9545 1.287811
225.4366 2.089569
225.9187 2.046921
226.4008 0.5463100
226.8829 1.508743
227.3651 2.023056
227.8472 0.1501620
228.3293 1.938782
228.8114 1.894272
229.2935 1.024094
229.7757 2.472839
230.2578 1.623505
230.7399 0.2994080
231.2220 0.7288970
231.7041 1.602768
232.1862 3.400925
232.6684 3.281357
233.1505 3.400342
233.6326 3.551125
234.1147 3.234138
234.5968 2.730804
235.0789 2.688507
235.5611 2.116379
236.0432 1.853531
236.5253 2.296097
237.0074 3.765350
237.4895 4.753006
237.9716 5.195007
238.4538 5.198181
238.9359 4.871658
239.4180 3.895782
239.9001 3.108627
240.3822 2.810822
240.8643 3.127777
241.3465 3.328445
241.8286 3.236588
242.3107 3.150238
242.7928 3.547485
243.2749 4.766251
243.7570 5.884094
244.2392 6.707306
244.7213 7.258591
245.2034 7.316971
245.6855 6.519806
246.1676 5.533722
246.6497 5.203140
247.1319 5.752975
247.6140 6.566437
248.0961 7.604202
248.5782 8.932755
249.0603 9.900711
249.5424 10.39645
250.0246 10.65178
250.5067 10.89706
250.9888 11.05511
251.4709 11.36313
251.9530 11.92960
252.4351 12.77750
252.9173 13.44533
253.3994 13.86990
253.8815 14.19089
254.3636 14.52188
254.8457 14.38051
255.3278 15.06142
255.8100 17.26326
256.2921 20.91626
256.7742 22.84558
257.2563 22.16821
257.7384 20.97755
258.2205 21.10826
258.7026 23.11293
259.1848 25.07056
259.6669 26.74352
260.1490 28.14656
260.6311 29.19670
261.1132 29.67595
261.5953 30.16563
262.0775 31.10144
262.5596 32.61404
263.0417 34.24995
263.5238 36.13188
264.0059 38.10104
264.4880 39.34285
264.9702 39.45724
265.4523 39.59592
265.9344 40.59613
266.4165 42.80254
266.8986 44.59319
267.3807 45.67943
267.8629 46.33305
268.3450 47.56952
268.8271 49.72424
269.3092 51.68132
269.7913 52.64319
270.2734 52.24550
270.7556 52.76039
271.2377 54.64337
271.7198 57.22260
272.2019 58.89082
272.6840 59.45172
273.1661 59.81953
273.6483 60.33784
274.1304 60.98074
274.6125 62.01031
275.0946 63.52457
275.5767 65.28702
276.0588 66.92471
276.5410 68.43463
277.0231 69.74797
277.5052 70.82335
277.9873 71.67555
278.4694 72.17822
278.9515 72.19279
279.4337 72.12666
279.9158 72.72218
280.3979 74.06850
280.8800 75.01187
281.3621 75.03076
281.8442 74.24852
282.3264 73.52126
282.8085 72.85829
283.2906 72.22765
283.7727 71.57982
284.2548 70.89526
284.7369 70.09404
285.2191 69.20320
285.7012 68.46844
286.1833 68.10307
286.6654 68.10416
287.1475 68.15701
287.6296 68.15558
288.1118 68.22375
288.5939 68.17390
289.0760 67.72745
289.5581 66.98170
290.0402 66.44485
290.5223 66.23807
291.0045 66.45517
291.4866 67.01305
291.9687 67.80116
292.4508 68.50955
292.9329 69.17561
293.4150 69.59334
293.8972 69.23474
294.3793 68.17024
294.8614 67.16089
295.3435 66.78979
295.8256 66.87096
296.3077 66.91435
296.7899 66.87369
297.2720 66.75304
297.7541 66.51326
298.2362 66.18227
298.7183 65.87849
299.2004 65.80574
299.6826 65.77415
300.1647 65.39323
300.6468 64.60593
301.1289 63.64403
301.6110 62.52507
302.0931 61.38905
302.5753 60.57370
303.0574 60.72130
303.5395 61.07375
304.0216 60.49312
304.5037 58.93169
304.9858 57.30624
305.4680 56.33832
305.9501 55.83617
306.4322 55.47839
306.9143 55.29323
307.3964 55.09343
307.8785 54.75809
308.3607 54.27983
308.8428 53.56680
309.3249 52.15411
309.8070 50.61478
310.2891 49.64012
310.7712 49.60527
311.2534 49.93147
311.7355 50.63695
312.2176 51.49301
312.6997 51.62946
313.1818 49.82054
313.6639 47.53049
314.1461 45.92931
314.6282 45.43437
315.1103 45.29477
315.5924 45.34045
316.0745 45.46953
316.5566 45.46434
317.0388 45.10121
317.5209 44.68199
318.0030 44.42053
318.4851 44.42119
318.9672 44.25972
319.4493 43.66817
319.9315 42.86810
320.4136 42.16022
320.8957 41.24739
321.3778 40.79372
321.8599 41.52882
322.3420 43.74739
322.8242 44.64960
323.3063 42.52400
323.7884 39.38680
324.2705 36.98267
324.7526 35.88658
325.2347 35.23846
325.7169 35.16971
326.1990 35.57014
326.6811 35.49226
327.1632 34.45303
327.6453 33.24063
328.1274 32.28772
328.6096 31.98889
329.0917 31.38632
329.5738 30.28183
330.0559 28.87674
330.5380 27.71169
331.0201 26.67950
331.5023 26.01955
331.9844 25.93361
332.4665 26.90059
332.9486 27.26265
333.4307 26.85194
333.9128 25.88918
334.3950 24.70760
334.8771 22.97211
335.3592 21.70660
335.8413 21.47339
336.3234 22.45509
336.8055 22.28882
337.2877 20.35904
337.7698 18.12843
338.2519 17.35800
338.7340 18.50987
339.2161 19.47078
339.6982 19.74399
340.1803 19.39154
340.6624 18.83786
341.1446 17.90691
341.6267 17.24312
342.1088 17.88387
342.5909 19.91115
343.0730 20.58455
343.5551 19.19827
344.0373 16.64754
344.5194 14.99945
345.0015 14.27007
345.4836 13.77290
345.9657 12.97014
346.4478 11.99461
346.9300 11.66693
347.4121 12.12839
347.8942 12.88905
348.3763 13.39391
348.8584 13.64833
349.3405 13.69775
349.8227 13.53447
350.3048 13.19003
350.7869 12.77464
351.2690 12.29814
351.7511 11.57669
352.2332 9.937607
352.7154 7.948944
353.1975 6.901611
353.6796 7.790482
354.1617 9.185883
354.6438 9.318085
355.1259 8.411987
355.6081 7.687408
356.0902 8.361603
356.5723 9.460129
357.0544 9.783035
357.5365 8.811752
358.0186 7.685333
358.5008 7.174820
358.9829 7.084946
359.4650 6.998077
359.9471 6.740967
360.4292 6.413910
360.9113 6.027145
361.3935 5.560425
361.8756 5.252289
362.3577 5.251083
362.8398 5.447540
363.3219 5.716827
363.8040 6.544571
364.2862 6.940048
364.7683 6.199051
365.2504 4.407410
365.7325 3.311172
366.2146 4.042282
366.6967 5.061310
367.1789 5.411865
367.6610 4.200348
368.1431 3.258026
368.6252 2.863098
369.1073 2.843811
369.5894 2.660202
370.0716 2.211304
370.5537 1.696716
371.0358 1.137222
371.5179 0.4199370
372.0000 2.8530001E-03
372.4821 0.1016690
372.9643 7.4951001E-02
373.4464 0.5287480
373.9285 1.493774
374.4106 2.224350
374.8927 2.502014
375.3748 2.341187
375.8570 2.246811
376.3391 2.334839
376.8212 2.238831
377.3033 2.004561
377.7854 0.3095250
378.2675 1.239624
378.7497 0.9250490
379.2318 0.1111450
379.7139 0.5371700
380.1960 0.3121950
380.6781 4.9849998E-02
381.1602 0.2463530
381.6424 0.3116000
382.1245 0.5198820
382.6066 0.9288020
383.0887 1.294266
383.5708 1.216904
384.0529 0.7881470
384.5351 0.4613040
385.0172 0.5547180
385.4993 0.2661658
385.9814 0.6682590
386.4635 0.1784820
386.9456 0.3015750
387.4278 0.4918210
387.9099 0.4672090
388.3920 0.3343960
388.8741 7.8902997E-02
389.3562 0.2077330
389.8383 0.5049590
390.3205 0.7845150
390.8026 0.9519040
391.2847 0.8016050
391.7668 0.6216890
392.2489 0.6678310
392.7310 1.016357
393.2132 1.342316
393.6953 1.479523
394.1774 1.503235
394.6595 1.505402
395.1416 1.389984
395.6237 1.373444
396.1059 1.673767
396.5880 2.253143
397.0701 2.512344
397.5522 2.260330
398.0343 1.692963
398.5164 0.9146420
398.9986 0.6312260
399.4807 1.651581
399.9628 1.838943
400.4449 1.500381
400.9270 1.336319
401.4091 1.434158
401.8913 1.598694
402.3734 1.787537
402.8555 2.016052
403.3376 2.175476
403.8197 2.234482
404.3018 2.258957
404.7840 2.330322
405.2661 2.477371
405.7482 2.533600
406.2303 2.341705
406.7124 2.057785
407.1945 2.532730
407.6767 3.959152
408.1588 5.182068
408.6409 5.017761
409.1230 3.617722
409.6051 3.490173
410.0872 5.127884
410.5694 7.214294
411.0515 7.516266
411.5336 6.321030
412.0157 5.399597
412.4978 5.857620
412.9799 7.025635
413.4621 7.538116
413.9442 7.411606
414.4263 7.137100
414.9084 6.942749
415.3905 6.906494
415.8727 7.201035
416.3548 8.087463
416.8369 8.957596
417.3190 9.215500
417.8011 9.039398
418.2832 8.903793
418.7654 8.954193
419.2475 9.188889
419.7296 9.620270
420.2117 10.26176
420.6938 11.02655
421.1759 12.14334
421.6581 13.25575
422.1402 13.99783
422.6223 14.03735
423.1044 13.94476
423.5865 13.70819
424.0686 13.38312
424.5508 13.36238
425.0329 13.69942
425.5150 14.34360
425.9971 15.34659
426.4792 17.20538
426.9613 18.37392
427.4435 18.54636
427.9256 18.19281
428.4077 18.05240
428.8898 18.21822
429.3719 18.39415
429.8540 18.53262
430.3362 18.62614
430.8183 18.53864
431.3004 18.21500
431.7825 17.86340
432.2646 17.58875
432.7467 17.39014
433.2289 17.53409
433.7110 18.16037
434.1931 18.95898
434.6752 19.47076
435.1573 19.68532
435.6394 19.47620
436.1216 18.31058
436.6037 16.78760
437.0858 16.33769
437.5679 16.95227
438.0500 17.49689
438.5321 16.55698
439.0142 14.93039
439.4963 14.04300
439.9785 14.73862
440.4606 15.68378
440.9427 15.93964
441.4248 15.62952
441.9069 15.04274
442.3890 13.72420
442.8712 12.55684
443.3533 12.31810
443.8354 13.37842
444.3175 14.08160
444.7996 13.48729
445.2817 12.37878
445.7639 11.59204
446.2460 11.41113
446.7281 11.39362
447.2102 11.63847
447.6923 12.05826
448.1744 12.04269
448.6566 11.09308
449.1387 10.26010
449.6208 10.07080
450.1029 10.85733
450.5850 11.19307
451.0671 10.97244
451.5493 10.42111
452.0314 9.816315
452.5135 9.154266
452.9956 8.489594
453.4777 7.804382
453.9598 7.112411
454.4420 6.581329
454.9241 6.262329
455.4062 5.911804
455.8883 5.155701
456.3704 4.177231
456.8525 3.934677
457.3347 4.599380
457.8168 5.357803
458.2989 5.040726
458.7810 3.958298
459.2631 3.037628
459.7452 2.774628
460.2274 2.813950
460.7095 1.849182
461.1916 2.986435
461.6737 3.599579
462.1558 3.716873
462.6379 1.837936
463.1201 2.548584
463.6022 2.228806
464.0843 1.871689
464.5664 2.961685
465.0485 1.399948
465.5306 2.477829
466.0128 2.509445
466.4949 3.027451
466.9770 2.508667
467.4591 2.316956
467.9412 3.173019
468.4233 3.457260
468.9055 2.839722
469.3876 3.420074
469.8697 1.874664
470.3518 2.204437
470.8339 3.346252
471.3160 2.807281
471.7982 3.432800
472.2803 3.621979
472.7624 1.809967
473.2445 3.492691
473.7266 2.691238
474.2087 3.149414
474.6909 4.086960
475.1730 4.973816
475.6551 5.364120
476.1372 5.314484
476.6193 4.948364
477.1014 4.146530
477.5836 3.474014
478.0657 3.848190
478.5478 4.959198
479.0299 5.912170
479.5120 6.317108
479.9941 6.362030
480.4763 6.000092
480.9584 5.302826
481.4405 4.924957
481.9226 5.433029
482.4047 6.290802
482.8868 7.134949
483.3690 8.109177
483.8511 8.599075
484.3332 8.020874
484.8153 6.931763
485.2974 6.226349
485.7795 6.084213
486.2617 6.302582
486.7438 7.025848
487.2259 8.240128
487.7080 8.997818
488.1901 9.119308
488.6722 9.027557
489.1544 8.936401
489.6365 8.810165
490.1186 8.856445
490.6007 9.151337
491.0828 9.518753
491.5649 9.739182
492.0471 9.816864
492.5292 9.616196
493.0113 8.995819
493.4934 8.091003
493.9755 7.287384
494.4576 6.596573
494.9398 6.145691
495.4219 6.083832
495.9040 6.313812
496.3861 6.746689
496.8682 7.426117
497.3503 8.082901
497.8325 8.514252
498.3146 8.734787
498.7967 8.798096
499.2788 8.334320
499.7609 8.078217
500.2430 8.581268
500.7252 9.666702
501.2073 10.55019
501.6894 10.89662
502.1715 11.06685
502.6536 11.27048
503.1357 11.66476
503.6179 11.66707
504.1000 10.90746
504.5821 9.990402
505.0642 9.557709
505.5463 9.946609
506.0284 10.04483
506.5106 9.550217
506.9927 8.707779
507.4748 8.361664
507.9569 8.600616
508.4390 8.884201
508.9211 8.905090
509.4033 8.702316
509.8854 8.626495
510.3675 8.674652
510.8496 8.824051
511.3317 9.189545
511.8138 9.649490
512.2960 9.848160
512.7781 9.633911
513.2602 9.292572
513.7423 9.091019
514.2244 8.995911
514.7065 8.925323
515.1887 8.958832
515.6708 8.940277
516.1529 8.622040
516.6350 7.994217
517.1171 7.531265
517.5992 7.397629
518.0814 7.483063
518.5635 7.751892
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