#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:27 +0300 (Thu, 24 May 2018) $
#$Revision: 861 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100024.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_8100024
loop_
_publ_author_name
'Nagl, A.'
_publ_section_title
;
 The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68
 Locality: Jas Roux, France
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               106
_journal_volume                  150
_journal_year                    1979
_chemical_compound_source        R140106
_chemical_formula_sum            'As19 Pb4 S68 Sb21 Tl8'
_chemical_name_mineral           Chabourneite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                83.98
_cell_angle_beta                 89.06
_cell_angle_gamma                83.20
_cell_length_a                   16.320
_cell_length_b                   21.3180
_cell_length_c                   8.543
_cell_volume                     2934.986
_exptl_crystal_density_diffrn    4.880
_cod_original_formula_sum        'Tl8 Pb4 Sb21 As19 S68'
_cod_database_code               9011429
_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            R140106.rod
_rod_data_source.block           3500000
_rod_database.code               8100024
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 9011429 COD http://www.crystallography.net/cod/9011429.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
111.9606 0.0000000E+00
112.4427 7.2692998E-02
112.9248 2.6427999E-02
113.4069 2.377869
113.8890 5.695679
114.3712 9.040894
114.8533 12.37103
115.3354 15.41864
115.8175 17.96497
116.2996 19.98584
116.7817 21.96906
117.2639 24.42969
117.7460 26.89667
118.2281 28.88794
118.7102 29.71124
119.1923 30.11951
119.6744 30.63251
120.1566 31.26093
120.6387 31.92358
121.1208 32.43121
121.6029 32.93744
122.0850 33.74915
122.5671 35.58264
123.0493 37.54559
123.5314 39.02545
124.0135 40.35150
124.4956 41.19409
124.9777 40.24554
125.4598 37.48242
125.9420 34.75568
126.4241 33.22485
126.9062 32.83038
127.3883 32.75012
127.8704 32.36987
128.3525 31.53418
128.8347 29.90845
129.3168 27.52344
129.7989 25.07703
130.2810 23.36261
130.7631 22.13159
131.2452 20.28601
131.7274 17.34265
132.2095 13.71368
132.6916 10.37500
133.1737 7.294312
133.6558 4.674805
134.1379 2.777527
134.6201 1.604614
135.1022 0.6033940
135.5843 0.4439700
136.0664 1.476624
136.5485 2.008667
137.0306 1.991699
137.5128 1.597351
137.9949 0.8715210
138.4770 0.3104860
138.9591 1.307251
139.4412 1.853638
139.9233 1.652466
140.4055 1.241028
140.8876 0.4832760
141.3697 0.3718260
141.8518 0.9594730
142.3339 1.368713
142.8160 1.333496
143.2982 0.6842040
143.7803 0.7622680
144.2624 2.204956
144.7445 3.625366
145.2266 5.053589
145.7087 6.450684
146.1909 7.747620
146.6730 9.154907
147.1551 10.83923
147.6372 13.36371
148.1193 15.17834
148.6014 15.81940
149.0836 15.69452
149.5657 16.26483
150.0478 18.21429
150.5299 20.28497
151.0120 21.94489
151.4941 22.49829
151.9763 23.42346
152.4584 25.46271
152.9405 28.17169
153.4226 29.40790
153.9047 27.37238
154.3868 24.88177
154.8690 23.46887
155.3511 24.70209
155.8332 25.60358
156.3153 25.76477
156.7974 25.06897
157.2795 23.98297
157.7617 22.66675
158.2438 21.01648
158.7259 18.97675
159.2080 15.73822
159.6901 12.76605
160.1722 10.39728
160.6544 8.565796
161.1365 7.148682
161.6186 6.719055
162.1007 6.597961
162.5828 6.135437
163.0649 4.577637
163.5471 3.077271
164.0292 2.278625
164.5113 2.198792
164.9934 2.055603
165.4755 1.052185
165.9576 0.1441650
166.4398 0.7020260
166.9219 0.1162110
167.4040 1.371826
167.8861 2.532715
168.3682 3.584351
168.8503 4.445313
169.3325 4.685242
169.8146 4.620300
170.2967 5.081055
170.7788 6.864441
171.2609 9.074890
171.7430 10.74139
172.2252 11.73083
172.7073 12.96057
173.1894 15.80432
173.6715 19.51172
174.1536 22.29663
174.6357 22.47406
175.1179 21.66644
175.6000 21.90741
176.0821 23.47015
176.5642 25.41901
177.0463 26.82410
177.5284 27.86475
178.0106 29.06226
178.4927 30.99591
178.9748 33.21277
179.4569 34.81903
179.9390 35.65253
180.4211 36.26660
180.9033 37.26355
181.3854 38.61877
181.8675 40.15625
182.3496 41.80017
182.8317 43.55396
183.3138 45.51483
183.7960 47.65686
184.2781 50.04401
184.7602 52.69000
185.2423 55.62128
185.7244 58.84222
186.2065 62.67017
186.6887 66.87000
187.1708 70.62195
187.6529 73.77527
188.1350 76.54785
188.6171 79.67621
189.0992 83.14221
189.5814 85.30261
190.0635 84.81116
190.5456 81.92261
191.0277 78.55212
191.5098 75.09045
191.9919 70.96503
192.4741 64.52777
192.9562 55.69379
193.4383 46.83588
193.9204 39.73035
194.4025 34.31012
194.8846 29.00238
195.3668 23.56561
195.8489 18.25702
196.3310 13.56287
196.8131 9.427002
197.2952 6.075195
197.7773 3.909302
198.2595 2.973450
198.7416 1.761475
199.2237 6.4331003E-02
199.7058 2.142822
200.1879 3.422058
200.6700 3.780273
201.1522 3.759644
201.6343 3.666931
202.1164 3.541321
202.5985 3.395813
203.0806 3.184082
203.5627 2.979126
204.0449 3.073730
204.5270 3.555481
205.0091 4.064941
205.4912 4.345398
205.9733 4.363831
206.4554 4.390442
206.9376 4.515381
207.4197 4.654602
207.9018 4.491882
208.3839 4.010864
208.8660 3.254883
209.3481 2.280762
209.8303 1.108582
210.3124 0.4735720
210.7945 2.676147
211.2766 5.281250
211.7587 7.543579
212.2408 9.588013
212.7230 11.03979
213.2051 11.50378
213.6872 10.61493
214.1693 10.00952
214.6514 10.05219
215.1335 10.49054
215.6157 10.08063
216.0978 8.406677
216.5799 6.605896
217.0620 5.410645
217.5441 4.977112
218.0262 4.657166
218.5084 4.333618
218.9905 4.069702
219.4726 4.212769
219.9547 4.908691
220.4368 5.779907
220.9189 6.516846
221.4011 6.887268
221.8832 7.863892
222.3653 9.946228
222.8474 12.72015
223.3295 14.29248
223.8116 14.10168
224.2938 13.50153
224.7759 13.23279
225.2580 13.10168
225.7401 13.79291
226.2222 15.77600
226.7043 18.61316
227.1865 20.40344
227.6686 20.23230
228.1507 20.31177
228.6328 22.13336
229.1149 26.96362
229.5970 30.50830
230.0792 32.12384
230.5613 32.26935
231.0434 32.54059
231.5255 32.50134
232.0076 33.23700
232.4897 35.47711
232.9719 40.04114
233.4540 44.28625
233.9361 48.10773
234.4182 51.57098
234.9003 54.89062
235.3824 57.80652
235.8646 60.95483
236.3467 64.81982
236.8288 70.30737
237.3109 74.37012
237.7930 76.14630
238.2751 76.56372
238.7573 78.44891
239.2394 82.45776
239.7215 86.96588
240.2036 91.44409
240.6857 96.47974
241.1678 100.0167
241.6500 101.3157
242.1321 101.3059
242.6142 102.3347
243.0963 104.4981
243.5784 107.5753
244.0605 111.6158
244.5427 117.2731
245.0248 122.2643
245.5069 126.3925
245.9890 129.9586
246.4711 133.4356
246.9532 136.3700
247.4354 140.0304
247.9175 144.8526
248.3996 150.9493
248.8817 158.0240
249.3638 166.5396
249.8459 175.7906
250.3281 184.4380
250.8102 192.1703
251.2923 199.9055
251.7744 208.2004
252.2565 217.3419
252.7386 225.7436
253.2208 234.2433
253.7029 241.3812
254.1850 244.8544
254.6671 243.7525
255.1492 240.6949
255.6313 236.2775
256.1135 230.4098
256.5956 223.7990
257.0777 216.3307
257.5598 208.2322
258.0419 199.5582
258.5240 189.4394
259.0062 181.0333
259.4883 175.5909
259.9704 173.4381
260.4525 170.6146
260.9346 166.7424
261.4167 162.7239
261.8989 159.7310
262.3810 158.2981
262.8631 156.4742
263.3452 153.4805
263.8273 149.3144
264.3094 147.0117
264.7916 147.0575
265.2737 148.1360
265.7558 149.0024
266.2379 149.5283
266.7200 150.3383
267.2021 151.6021
267.6843 153.2825
268.1664 154.9403
268.6485 156.3340
269.1306 158.1228
269.6127 161.0538
270.0948 165.4468
270.5770 169.3497
271.0591 172.0049
271.5412 173.8994
272.0233 177.8692
272.5054 184.5570
272.9875 191.3840
273.4697 196.2435
273.9518 198.8021
274.4339 201.7697
274.9160 205.3921
275.3981 209.6578
275.8802 214.7577
276.3624 220.7736
276.8445 227.0717
277.3266 233.5624
277.8087 240.3408
278.2908 245.8312
278.7729 249.5813
279.2551 252.3704
279.7372 255.8519
280.2193 260.1143
280.7014 264.6031
281.1835 269.2683
281.6656 274.0993
282.1478 278.0458
282.6299 280.6903
283.1120 283.1955
283.5941 287.8284
284.0762 294.7147
284.5583 301.5606
285.0405 307.3117
285.5226 312.0773
286.0047 316.8417
286.4868 321.6077
286.9689 326.4236
287.4510 331.2457
287.9332 336.0588
288.4153 340.9977
288.8974 345.9304
289.3795 350.9975
289.8616 356.7715
290.3438 363.3963
290.8259 369.7087
291.3080 374.2183
291.7901 377.1382
292.2722 380.0078
292.7543 383.4626
293.2365 387.0886
293.7186 389.7061
294.2007 391.2774
294.6828 392.8488
295.1649 395.8464
295.6470 399.6833
296.1292 402.5009
296.6113 403.7449
297.0934 403.6858
297.5755 402.5327
298.0576 400.3631
298.5397 397.8856
299.0219 395.3259
299.5040 392.7637
299.9861 390.4656
300.4682 388.7581
300.9503 386.9159
301.4324 384.1507
301.9146 380.5152
302.3967 376.0008
302.8788 370.3940
303.3609 364.0128
303.8430 357.3763
304.3251 350.5242
304.8073 343.5662
305.2894 336.5015
305.7715 329.3651
306.2536 322.0123
306.7357 314.9641
307.2178 307.4401
307.7000 298.4261
308.1821 287.6862
308.6642 276.9550
309.1463 267.7709
309.6284 259.3962
310.1105 250.5312
310.5927 240.0225
311.0748 229.4008
311.5569 219.8082
312.0390 211.2527
312.5211 202.5251
313.0032 192.7075
313.4854 182.4437
313.9675 172.5804
314.4496 163.0416
314.9317 154.1856
315.4138 146.2632
315.8959 139.2721
316.3781 132.6493
316.8602 126.5173
317.3423 120.5397
317.8244 114.4445
318.3065 107.6738
318.7886 101.4406
319.2708 96.48309
319.7529 92.47552
320.2350 88.45178
320.7171 84.57227
321.1992 80.29321
321.6813 75.15393
322.1635 68.33704
322.6456 62.43823
323.1277 58.15472
323.6098 55.05713
324.0919 52.41772
324.5740 50.99854
325.0562 49.27332
325.5383 46.65747
326.0204 42.84460
326.5025 39.23157
326.9846 35.50922
327.4667 32.23395
327.9489 29.93781
328.4310 30.11707
328.9131 29.50446
329.3952 27.27063
329.8773 23.39642
330.3594 20.20587
330.8416 17.71906
331.3237 15.91693
331.8058 14.91113
332.2879 15.55048
332.7700 15.63379
333.2521 14.68768
333.7343 12.87628
334.2164 11.64508
334.6985 11.48444
335.1806 11.28204
335.6627 10.26764
336.1448 7.876892
336.6270 6.496765
337.1091 6.620544
337.5912 7.530151
338.0733 7.613525
338.5554 6.597534
339.0375 5.574341
339.5197 5.125061
340.0018 5.354309
340.4839 4.965729
340.9660 3.735229
341.4481 2.293945
341.9302 1.768311
342.4124 2.253357
342.8945 2.377380
343.3766 1.533508
343.8587 1.0956000E-02
344.3408 1.003113
344.8229 1.493439
345.3051 1.554504
345.7872 1.023987
346.2693 1.4740000E-02
346.7514 0.6915280
347.2335 0.9013980
347.7156 0.7860720
348.1978 0.6912840
348.6799 0.6039430
349.1620 0.3494260
349.6441 0.4278870
350.1262 1.436829
350.6083 1.885590
351.0905 1.563477
351.5726 1.122253
352.0547 1.423981
352.5368 2.257629
353.0189 2.991486
353.5010 3.565826
353.9832 3.784637
354.4653 2.987885
354.9474 1.084259
355.4295 0.2861630
355.9116 1.036041
356.3937 3.554352
356.8759 4.993896
357.3580 3.398804
357.8401 1.430298
358.3222 1.057190
358.8043 2.028961
359.2864 2.881683
359.7686 2.752655
360.2507 2.238220
360.7328 1.825653
361.2149 1.652039
361.6970 1.549774
362.1791 1.542694
362.6613 1.565887
363.1434 1.466888
363.6255 0.9481510
364.1076 0.5063780
364.5897 0.3871460
365.0718 0.6638180
365.5540 1.070709
366.0361 1.792908
366.5182 2.543701
367.0003 2.977142
367.4824 2.913086
367.9645 2.654938
368.4467 2.261139
368.9288 1.730072
369.4109 0.9988400
369.8930 0.4140630
370.3751 1.675995
370.8572 2.147522
371.3394 0.8339230
371.8215 0.4742740
372.3036 1.836151
372.7857 4.280029
373.2678 5.450592
373.7499 4.792389
374.2321 3.831573
374.7142 3.179932
375.1963 2.757843
375.6784 3.037567
376.1605 4.326233
376.6426 5.917114
377.1248 6.557159
377.6069 6.046967
378.0890 5.827179
378.5711 6.668213
379.0532 8.300873
379.5353 8.546417
380.0175 7.197845
380.4996 5.497711
380.9817 4.655182
381.4638 4.575562
381.9459 4.392456
382.4280 3.865540
382.9102 3.239014
383.3923 3.092163
383.8744 3.368866
384.3565 3.578125
384.8386 3.030396
385.3207 2.243439
385.8029 2.554077
386.2850 4.292084
386.7671 6.042725
387.2492 6.138519
387.7313 5.128967
388.2134 4.268097
388.6956 4.740265
389.1777 5.238770
389.6598 4.102478
390.1419 1.451416
390.6240 0.5556340
391.1061 0.1405330
391.5883 1.396484
392.0704 2.690399
392.5525 3.194244
393.0346 3.640381
393.5167 4.636292
393.9988 5.877319
394.4810 6.514099
394.9631 5.441162
395.4452 4.320160
395.9273 4.148285
396.4094 5.518768
396.8915 6.296967
397.3737 5.172791
397.8558 3.543762
398.3379 3.132019
398.8200 5.518433
399.3021 7.626465
399.7842 8.863403
400.2664 9.226776
400.7485 9.348480
401.2306 8.962799
401.7127 8.583252
402.1948 8.520599
402.6769 9.004730
403.1591 9.376190
403.6412 9.642822
404.1233 9.813171
404.6054 9.757050
405.0875 9.345215
405.5696 9.078766
406.0518 9.217651
406.5339 9.779358
407.0160 10.30350
407.4981 10.80365
407.9802 11.10159
408.4623 11.00797
408.9445 10.57236
409.4266 9.959442
409.9087 8.908539
410.3908 7.862488
410.8729 8.343262
411.3550 10.30972
411.8372 12.02063
412.3193 12.06094
412.8014 11.06064
413.2835 10.19992
413.7656 9.401550
414.2477 8.848541
414.7299 9.341461
415.2120 10.57587
415.6941 11.37408
416.1762 10.24942
416.6583 8.786346
417.1404 8.618225
417.6226 9.788086
418.1047 11.08960
418.5868 11.96512
419.0689 12.52744
419.5510 12.89478
420.0331 12.93707
420.5153 12.98044
420.9974 13.23517
421.4795 13.62878
421.9616 13.88910
422.4437 13.85391
422.9258 13.70721
423.4080 13.59885
423.8901 13.66150
424.3722 13.25714
424.8543 11.80435
425.3364 10.19498
425.8185 9.299347
426.3007 9.637238
426.7828 9.964325
427.2649 10.11765
427.7470 10.16632
428.2291 10.27414
428.7112 10.45676
429.1934 10.49548
429.6755 10.23032
430.1576 9.583527
430.6397 9.494263
431.1218 10.04178
431.6039 10.91568
432.0861 11.70203
432.5682 12.39798
433.0503 13.10837
433.5324 14.04443
434.0145 15.04132
434.4966 15.35056
434.9788 14.94360
435.4609 14.30820
435.9430 13.58218
436.4251 12.96533
436.9072 12.99814
437.3893 13.83127
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