#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:04 +0300 (Thu, 26 Apr 2018) $
#$Revision: 632 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100013.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_8100013
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 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            R140106.rod
_rod_data_source.block           3500000
_rod_database.code               8100013
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
91.55994 0.0000000E+00
92.04205 79.09961
92.52417 200.2581
93.00629 317.0029
93.48840 402.0359
93.97052 439.4158
94.45264 430.1650
94.93475 396.3264
95.41687 356.0464
95.89898 310.1077
96.38110 268.1979
96.86321 245.8645
97.34533 220.2249
97.82745 185.2463
98.30956 156.5719
98.79168 128.2273
99.27380 98.62891
99.75591 71.64026
100.2380 48.48022
100.7201 28.28284
101.2023 9.942383
101.6844 4.799438
102.1665 13.10364
102.6486 11.40283
103.1307 6.302490
103.6128 4.138550
104.0950 5.645874
104.5771 6.792969
105.0592 5.665283
105.5413 2.931519
106.0234 0.9218750
106.5055 6.325317
106.9877 12.73401
107.4698 18.07239
107.9519 21.47180
108.4340 24.54822
108.9161 27.27014
109.3982 30.06702
109.8804 33.88452
110.3625 40.49548
110.8446 50.96448
111.3267 61.29749
111.8088 68.89392
112.2909 77.05408
112.7731 86.92114
113.2552 98.90405
113.7373 113.1925
114.2194 129.9587
114.7015 150.8085
115.1836 172.1039
115.6658 193.1313
116.1479 214.9584
116.6300 238.3179
117.1121 263.4919
117.5942 291.0051
118.0763 323.2877
118.5584 360.5800
119.0406 397.5687
119.5227 433.2649
120.0048 468.0994
120.4869 501.8848
120.9690 534.4523
121.4511 565.6064
121.9333 595.6287
122.4154 624.2839
122.8975 652.1338
123.3796 679.0658
123.8617 705.0303
124.3438 730.9023
124.8260 756.8353
125.3081 782.7794
125.7902 809.2047
126.2723 836.6292
126.7544 863.7886
127.2365 887.4692
127.7187 907.2190
128.2008 926.4487
128.6829 955.1807
129.1650 988.3104
129.6471 1020.038
130.1292 1045.116
130.6114 1061.270
131.0935 1067.125
131.5756 1058.614
132.0577 1038.381
132.5398 1006.589
133.0219 967.1987
133.5041 925.1161
133.9862 881.9813
134.4683 837.8293
134.9504 790.5020
135.4325 738.3326
135.9146 684.9514
136.3968 632.2449
136.8789 580.5266
137.3610 529.2776
137.8431 478.2220
138.3252 426.7742
138.8073 378.4849
139.2895 333.1704
139.7716 291.1062
140.2537 252.7556
140.7358 218.5160
141.2179 187.4896
141.7000 158.7947
142.1821 132.1052
142.6643 108.4858
143.1464 87.68408
143.6285 70.16919
144.1106 57.73218
144.5927 52.14502
145.0748 50.86060
145.5570 50.02759
146.0391 49.65820
146.5212 53.05029
147.0033 64.06055
147.4854 83.42578
147.9675 103.4868
148.4497 121.3323
148.9318 140.7722
149.4139 166.2253
149.8960 195.8057
150.3781 228.9995
150.8602 265.1057
151.3424 305.6196
151.8245 346.7205
152.3066 387.3064
152.7887 428.6296
153.2708 472.8047
153.7529 520.2417
154.2351 569.0510
154.7172 614.4136
155.1993 657.0415
155.6814 694.3408
156.1635 729.7683
156.6456 759.0449
157.1278 777.1726
157.6099 781.8137
158.0920 773.2664
158.5741 751.3037
159.0562 715.3689
159.5383 668.7297
160.0205 608.4614
160.5026 538.4509
160.9847 465.2178
161.4668 391.2910
161.9489 317.4556
162.4310 248.7773
162.9131 185.4070
163.3953 126.9417
163.8774 72.96191
164.3595 23.46802
164.8416 19.75073
165.3237 54.61377
165.8058 81.98511
166.2880 105.1362
166.7701 124.7603
167.2522 140.1262
167.7343 150.0063
168.2164 154.0137
168.6985 154.3213
169.1807 151.6062
169.6628 146.1538
170.1449 137.6599
170.6270 125.9294
171.1091 111.1697
171.5912 93.49219
172.0734 71.56055
172.5555 48.95947
173.0376 27.79272
173.5197 6.713623
174.0018 16.36963
174.4839 42.66553
174.9661 71.88379
175.4482 101.9834
175.9303 134.0994
176.4124 165.9453
176.8945 195.5386
177.3766 224.4670
177.8588 255.1289
178.3409 289.5620
178.8230 327.8743
179.3051 366.5193
179.7872 404.8765
180.2693 444.2031
180.7515 484.8118
181.2336 526.7119
181.7157 569.3032
182.1978 612.0811
182.6799 654.8962
183.1620 699.3928
183.6441 746.6333
184.1263 794.1611
184.6084 840.8599
185.0905 886.5818
185.5726 931.6985
186.0547 976.5732
186.5368 1021.258
187.0190 1062.406
187.5011 1100.061
187.9832 1134.027
188.4653 1164.721
188.9474 1191.977
189.4296 1214.390
189.9117 1230.055
190.3938 1238.754
190.8759 1243.200
191.3580 1244.133
191.8401 1240.651
192.3223 1231.885
192.8044 1217.744
193.2865 1198.074
193.7686 1170.318
194.2507 1136.367
194.7328 1100.402
195.2150 1063.268
195.6971 1024.915
196.1792 984.8257
196.6613 942.3000
197.1434 899.4133
197.6255 857.0679
198.1077 815.2532
198.5898 775.0176
199.0719 736.5793
199.5540 699.8833
200.0361 664.8418
200.5182 630.0737
201.0004 599.2773
201.4825 575.3845
201.9646 556.4951
202.4467 538.5828
202.9288 518.3455
203.4109 496.0737
203.8930 477.0750
204.3752 462.3730
204.8573 450.6333
205.3394 442.6077
205.8215 437.1580
206.3036 431.7190
206.7857 423.6980
207.2679 412.7834
207.7500 405.2817
208.2321 403.3137
208.7142 403.0601
209.1963 404.1431
209.6784 406.0891
210.1606 408.1731
210.6427 409.6516
211.1248 410.3035
211.6069 412.1511
212.0890 415.6113
212.5711 419.7205
213.0533 423.8037
213.5354 428.1143
214.0175 433.6213
214.4996 441.3354
214.9817 451.6545
215.4638 461.6138
215.9460 470.6738
216.4281 479.9731
216.9102 490.0884
217.3923 501.0024
217.8744 512.4697
218.3565 524.0796
218.8387 535.7434
219.3208 549.2710
219.8029 564.2153
220.2850 581.1584
220.7671 601.6936
221.2492 625.3174
221.7314 648.5247
222.2135 667.7363
222.6956 681.0640
223.1777 696.2751
223.6598 715.2878
224.1419 735.4600
224.6240 755.3621
225.1062 775.0828
225.5883 794.2297
226.0704 812.0984
226.5525 829.2439
227.0346 848.7778
227.5167 873.1406
227.9989 898.9314
228.4810 921.9497
228.9631 941.9836
229.4452 963.7993
229.9273 991.0732
230.4094 1022.872
230.8916 1056.547
231.3737 1093.788
231.8558 1130.983
232.3379 1163.170
232.8200 1189.734
233.3021 1215.509
233.7843 1243.656
234.2664 1273.070
234.7485 1302.406
235.2306 1332.966
235.7127 1361.901
236.1948 1384.875
236.6770 1400.952
237.1591 1415.375
237.6412 1433.059
238.1233 1449.985
238.6054 1461.545
239.0875 1466.555
239.5697 1465.241
240.0518 1457.014
240.5339 1440.272
241.0160 1421.458
241.4981 1405.171
241.9802 1387.299
242.4624 1363.033
242.9445 1330.161
243.4266 1292.272
243.9087 1255.788
244.3908 1222.357
244.8729 1185.766
245.3550 1142.882
245.8372 1097.258
246.3193 1051.323
246.8014 1005.722
247.2835 961.0911
247.7656 917.7327
248.2477 875.7192
248.7299 835.2056
249.2120 795.9905
249.6941 758.3167
250.1762 722.6011
250.6583 688.8838
251.1404 656.8921
251.6226 625.5100
252.1047 593.6660
252.5868 565.6331
253.0689 543.5227
253.5510 523.5598
254.0331 503.1804
254.5153 481.7322
254.9974 459.8298
255.4795 437.9453
255.9616 414.9924
256.4437 394.8496
256.9258 378.3660
257.4080 363.5730
257.8901 348.9578
258.3722 334.3669
258.8543 320.7571
259.3364 309.6985
259.8185 302.8689
260.3007 294.3198
260.7828 281.6672
261.2649 269.3660
261.7470 260.1028
262.2291 254.1287
262.7112 250.2012
263.1934 246.7131
263.6755 242.9797
264.1576 242.5486
264.6397 245.4937
265.1218 250.9224
265.6039 258.4255
266.0861 267.9390
266.5682 279.6011
267.0503 293.5930
267.5324 309.9958
268.0145 328.5500
268.4966 349.4136
268.9788 371.7654
269.4609 394.1506
269.9430 417.3137
270.4251 443.8174
270.9072 476.0454
271.3893 514.0098
271.8715 552.9851
272.3536 590.8494
272.8357 631.4243
273.3178 675.4045
273.7999 723.2292
274.2820 775.6833
274.7642 833.5332
275.2463 896.5901
275.7284 961.7227
276.2105 1027.500
276.6926 1096.532
277.1747 1169.882
277.6568 1247.666
278.1389 1329.441
278.6211 1414.972
279.1032 1504.198
279.5853 1598.263
280.0674 1697.400
280.5495 1800.164
281.0316 1906.121
281.5138 2015.410
281.9959 2128.813
282.4780 2246.773
282.9601 2368.406
283.4422 2489.271
283.9243 2608.884
284.4065 2729.376
284.8886 2852.959
285.3707 2977.077
285.8528 3097.667
286.3349 3213.408
286.8170 3326.208
287.2992 3440.609
287.7813 3557.468
288.2634 3671.400
288.7455 3780.427
289.2276 3885.920
289.7097 3988.465
290.1919 4088.366
290.6740 4186.196
291.1561 4282.180
291.6382 4375.109
292.1203 4474.135
292.6024 4582.990
293.0846 4696.762
293.5667 4810.041
294.0488 4922.613
294.5309 5037.807
295.0130 5158.749
295.4951 5286.043
295.9773 5417.013
296.4594 5552.415
296.9415 5690.833
297.4236 5833.639
297.9057 5979.597
298.3878 6123.055
298.8700 6260.440
299.3521 6391.082
299.8342 6516.929
300.3163 6642.099
300.7984 6757.996
301.2805 6861.679
301.7627 6952.652
302.2448 7031.518
302.7269 7100.409
303.2090 7155.188
303.6911 7187.824
304.1732 7196.754
304.6554 7190.067
305.1375 7172.757
305.6196 7142.773
306.1017 7094.463
306.5838 7025.436
307.0659 6937.539
307.5481 6833.532
308.0302 6714.758
308.5123 6583.878
308.9944 6440.615
309.4765 6286.328
309.9586 6123.431
310.4408 5952.312
310.9229 5775.815
311.4050 5598.492
311.8871 5419.915
312.3692 5241.241
312.8513 5062.761
313.3335 4884.025
313.8156 4703.781
314.2977 4522.377
314.7798 4338.058
315.2619 4148.458
315.7440 3952.824
316.2262 3753.056
316.7083 3547.569
317.1904 3339.114
317.6725 3129.591
318.1546 2918.464
318.6367 2707.239
319.1188 2494.655
319.6010 2283.453
320.0831 2079.754
320.5652 1879.136
321.0473 1688.956
321.5294 1511.345
322.0115 1347.412
322.4937 1198.032
322.9758 1065.303
323.4579 947.3699
323.9400 842.4402
324.4221 750.3442
324.9042 667.1484
325.3864 592.1074
325.8685 524.7122
326.3506 463.5394
326.8327 408.2943
327.3148 358.3850
327.7969 313.4723
328.2791 273.4906
328.7612 237.0120
329.2433 205.0514
329.7254 176.1024
330.2075 148.3430
330.6896 121.4148
331.1718 96.27612
331.6539 73.83972
332.1360 54.46387
332.6181 36.58923
333.1002 20.52588
333.5823 5.844482
334.0645 7.996094
334.5466 20.82227
335.0287 32.23694
335.5108 41.67725
335.9929 49.32581
336.4750 56.47510
336.9572 63.81738
337.4393 70.21527
337.9214 75.40350
338.4035 79.34644
338.8856 81.64594
339.3677 81.96210
339.8499 80.94275
340.3320 80.23456
340.8141 80.54523
341.2962 79.86115
341.7783 78.03406
342.2604 74.91626
342.7426 69.98431
343.2247 63.07812
343.7068 55.18182
344.1889 47.61261
344.6710 40.56042
345.1531 33.24329
345.6353 25.73505
346.1174 17.88135
346.5995 9.509338
347.0816 0.6295170
347.5637 8.596313
348.0458 18.04535
348.5280 27.73889
349.0101 37.46613
349.4922 47.50208
349.9743 57.28857
350.4564 66.35748
350.9385 74.97852
351.4207 83.87445
351.9028 93.52551
352.3849 103.6011
352.8670 112.6924
353.3491 120.5784
353.8312 127.7822
354.3134 133.6826
354.7955 139.1945
355.2776 145.5813
355.7597 153.2499
356.2418 161.2713
356.7239 168.1236
357.2061 173.7674
357.6882 178.0676
358.1703 181.1437
358.6524 182.9193
359.1345 184.0073
359.6166 184.0292
360.0987 181.4037
360.5808 174.2435
361.0630 162.0344
361.5451 150.0957
362.0272 139.6174
362.5093 128.2104
362.9914 114.2211
363.4735 98.70374
363.9557 84.08038
364.4378 71.82288
364.9199 61.38397
365.4020 50.35626
365.8841 37.01672
366.3662 25.61450
366.8484 16.52185
367.3305 9.580872
367.8126 5.139404
368.2947 3.198547
368.7768 2.348083
369.2589 0.1471560
369.7411 4.526611
370.2232 7.390808
370.7053 7.483459
371.1874 6.601379
371.6695 5.492371
372.1516 4.268616
372.6338 2.916138
373.1159 1.405334
373.5980 0.2710570
374.0801 2.169067
374.5622 4.689697
375.0443 6.917847
375.5265 8.082550
376.0086 8.865448
376.4907 10.38748
376.9728 13.24417
377.4549 16.95941
377.9370 20.54099
378.4192 24.04666
378.9013 27.25876
379.3834 29.90439
379.8655 32.36993
380.3476 34.92035
380.8297 37.61133
381.3119 40.39487
381.7940 43.21124
382.2761 46.06134
382.7582 49.08389
383.2403 52.37900
383.7224 55.77560
384.2046 59.29904
384.6867 62.84894
385.1688 66.04303
385.6509 68.65933
386.1330 70.79529
386.6151 72.42099
387.0973 73.25211
387.5794 74.62784
388.0615 78.03088
388.5436 82.26752
389.0257 85.61102
389.5078 87.44781
389.9900 88.85068
390.4721 90.60904
390.9542 92.71106
391.4363 95.15701
391.9184 97.90695
392.4005 100.5594
392.8827 102.8210
393.3648 104.7232
393.8469 105.9572
394.3290 106.3019
394.8111 105.8806
395.2932 104.8423
395.7754 103.1938
396.2575 101.5551
396.7396 100.6930
397.2217 100.6247
397.7038 100.0986
398.1859 99.09909
398.6681 97.50827
399.1501 95.00262
399.6323 91.90863
400.1144 89.19141
400.5965 87.38828
401.0786 86.47003
401.5607 86.18063
402.0428 86.71231
402.5250 87.40869
403.0071 88.21304
403.4892 89.11459
403.9713 90.07983
404.4534 91.12311
404.9355 92.33997
405.4177 93.60818
405.8998 94.62509
406.3819 96.25043
406.8640 99.33636
407.3461 102.1438
407.8282 103.3924
408.3104 103.6306
408.7925 104.4024
409.2746 106.7298
409.7567 110.1779
410.2388 112.7231
410.7209 113.4139
411.2031 114.3951
411.6852 116.0386
412.1673 117.9370
412.6494 119.8011
413.1315 121.5122
413.6136 122.9507
414.0958 123.8490
414.5779 123.9612
415.0600 124.5105
415.5421 126.0721
416.0242 127.5540
416.5063 128.3668
416.9885 128.7472
417.4706 129.3247
417.9527 130.4987
418.4348 132.1568
418.9169 133.9707
419.3990 136.1216
419.8812 138.0200
420.3633 139.2101
420.8454 140.2253
421.3275 141.6157
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