#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:32 +0300 (Thu, 24 May 2018) $
#$Revision: 688 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000205.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_1000205
loop_
_publ_author_name
'Bindi, L.'
'Menchetti, S.'
_publ_section_title
;
 Structural changes accompanying the phase transformation between
 leadhillite and susannite: a structural study by means of in situ
 high-temperature single- crystal X-ray diffraction Sample: Chah Mileh
 Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1641
_journal_page_last               1647
_journal_paper_doi               10.2138/am.2005.1808
_journal_volume                  90
_journal_year                    2005
_chemical_compound_source        R060047
_chemical_formula_sum            'C2 H2 O12 Pb4 S'
_chemical_name_mineral           Leadhillite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.50
_cell_angle_gamma                90
_cell_length_a                   9.104
_cell_length_b                   20.792
_cell_length_c                   11.577
_cell_volume                     2191.331
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    6.541
_cod_original_formula_sum        'Pb4 S C2 O12 H2'
_cod_database_code               9003814
_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            R060047.rod
_rod_data_source.block           3500000
_rod_database.code               1000205
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 9003814 COD http://www.crystallography.net/cod/9003814.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
131.4316 0.0000000E+00
131.9137 18.32227
132.3958 25.50977
132.8779 38.99341
133.3600 51.15137
133.8421 59.71582
134.3243 66.57056
134.8064 70.69556
135.2885 70.72803
135.7706 68.43896
136.2527 66.77954
136.7348 66.80591
137.2170 67.33765
137.6991 65.79004
138.1812 64.62061
138.6633 66.96875
139.1454 73.25562
139.6275 76.45679
140.1097 78.42285
140.5918 81.32983
141.0739 91.15698
141.5560 103.7983
142.0381 110.2666
142.5202 112.6973
143.0023 112.4958
143.4845 108.6936
143.9666 102.5217
144.4487 93.97534
144.9308 84.26904
145.4129 73.79126
145.8951 64.47363
146.3772 57.09668
146.8593 54.05957
147.3414 49.28320
147.8235 41.71704
148.3056 30.54102
148.7878 20.00635
149.2699 9.965820
149.7520 1.044434
150.2341 6.104736
150.7162 12.84790
151.1983 17.09106
151.6805 17.74023
152.1626 12.97217
152.6447 8.853760
153.1268 6.480469
153.6089 4.635620
154.0910 1.304932
154.5732 3.562744
155.0553 10.05347
155.5374 18.00684
156.0195 26.73853
156.5016 37.70862
156.9837 52.11670
157.4659 68.84680
157.9480 85.66687
158.4301 103.2445
158.9122 120.0074
159.3943 135.2095
159.8764 148.4609
160.3586 160.2860
160.8407 169.4288
161.3228 177.1821
161.8049 186.8037
162.2870 201.4442
162.7691 217.0382
163.2513 231.0001
163.7334 241.6265
164.2155 252.0714
164.6976 264.2184
165.1797 277.4475
165.6618 289.5216
166.1440 300.5608
166.6261 309.3531
167.1082 314.9023
167.5903 315.5663
168.0724 314.3762
168.5545 312.3053
169.0367 309.5895
169.5188 307.5107
170.0009 308.3622
170.4830 309.9480
170.9651 309.2957
171.4472 304.4495
171.9293 297.9529
172.4115 291.6383
172.8936 285.4432
173.3757 278.8114
173.8578 271.5936
174.3399 263.9041
174.8220 255.7090
175.3042 246.7947
175.7863 237.4996
176.2684 228.2258
176.7505 219.0077
177.2326 208.7870
177.7147 195.9070
178.1969 181.3123
178.6790 167.3630
179.1611 154.5724
179.6432 143.1257
180.1253 133.5657
180.6074 126.1041
181.0896 119.5885
181.5717 112.9318
182.0538 106.3969
182.5359 100.1821
183.0180 94.99463
183.5001 90.36414
183.9823 85.12122
184.4644 79.22986
184.9465 73.62549
185.4286 69.84924
185.9107 67.54248
186.3928 65.48730
186.8750 62.79810
187.3571 59.96497
187.8392 58.37891
188.3213 58.23376
188.8034 58.75525
189.2855 68.58655
189.7677 77.94214
190.2498 87.06201
190.7319 96.57471
191.2140 106.1355
191.6961 113.6832
192.1782 118.8599
192.6604 123.0802
193.1425 128.9548
193.6246 136.5122
194.1067 143.2568
194.5888 147.7544
195.0709 150.2744
195.5531 152.9233
196.0352 155.9034
196.5173 158.6580
196.9994 159.8295
197.4815 159.2722
197.9636 159.0315
198.4458 160.1157
198.9279 162.5096
199.4100 164.6763
199.8921 166.4352
200.3742 168.2222
200.8563 171.3204
201.3385 176.1039
201.8206 179.9375
202.3027 180.9951
202.7848 178.9762
203.2669 178.0104
203.7490 178.2748
204.2311 179.5253
204.7133 181.5413
205.1954 184.5459
205.6775 187.3556
206.1596 189.1550
206.6417 189.7129
207.1238 191.0385
207.6060 193.8033
208.0881 196.4801
208.5702 195.4960
209.0523 189.9080
209.5344 184.4121
210.0165 181.9470
210.4987 183.3405
210.9808 183.2507
211.4629 181.0805
211.9450 177.7428
212.4271 175.0440
212.9092 172.8101
213.3914 171.3638
213.8735 171.0865
214.3556 172.4929
214.8377 173.2682
215.3198 173.3457
215.8019 172.7513
216.2841 171.6215
216.7662 169.7315
217.2483 167.5880
217.7304 165.3448
218.2125 162.9724
218.6946 160.7966
219.1768 158.6758
219.6589 156.8621
220.1410 155.8799
220.6231 156.5892
221.1052 156.5475
221.5873 154.1631
222.0695 148.0643
222.5516 143.7423
223.0337 141.9518
223.5158 141.7250
223.9979 140.0737
224.4800 135.8383
224.9622 132.2316
225.4443 131.0544
225.9264 133.7876
226.4085 134.9334
226.8906 133.8735
227.3727 131.4730
227.8549 129.4533
228.3370 128.1863
228.8191 126.8119
229.3012 124.7636
229.7833 121.3943
230.2654 119.3575
230.7476 119.1537
231.2297 120.1569
231.7118 120.8752
232.1939 120.6662
232.6760 121.2593
233.1581 123.5547
233.6402 128.7069
234.1224 132.2710
234.6045 133.4247
235.0866 133.1822
235.5687 133.8325
236.0508 135.7225
236.5329 137.9828
237.0151 140.4347
237.4972 143.4997
237.9793 145.1896
238.4614 144.9177
238.9435 143.6936
239.4256 143.2872
239.9078 144.1254
240.3899 144.8994
240.8720 145.3553
241.3541 145.6733
241.8362 145.3928
242.3183 144.0331
242.8005 142.0735
243.2826 140.4224
243.7647 139.2205
244.2468 138.4831
244.7289 138.1948
245.2110 138.4164
245.6932 138.6320
246.1753 139.1439
246.6574 139.6158
247.1395 139.2720
247.6216 137.0453
248.1037 135.7990
248.5859 136.7344
249.0680 140.4555
249.5501 143.0491
250.0322 143.7085
250.5143 143.7904
250.9964 145.2873
251.4786 149.3215
251.9607 152.7267
252.4428 154.4626
252.9249 154.2795
253.4070 154.6580
253.8891 155.7673
254.3713 157.2778
254.8534 158.7112
255.3355 159.6765
255.8176 161.4214
256.2997 164.4803
256.7818 168.9496
257.2639 172.9486
257.7461 176.5581
258.2282 179.6176
258.7103 181.7368
259.1924 182.1373
259.6745 183.4590
260.1566 186.6535
260.6388 191.6335
261.1209 195.1495
261.6030 196.6689
262.0851 197.4899
262.5672 198.8980
263.0493 201.3307
263.5315 203.1621
264.0136 203.9528
264.4957 203.8419
264.9778 204.0738
265.4599 204.9694
265.9420 205.7308
266.4242 205.6763
266.9063 204.5451
267.3884 203.3212
267.8705 202.1838
268.3526 201.1030
268.8347 199.8845
269.3169 198.8089
269.7990 196.9872
270.2811 193.5883
270.7632 188.2893
271.2453 182.9123
271.7274 177.6233
272.2096 172.3486
272.6917 166.4200
273.1738 159.5513
273.6559 152.5926
274.1380 146.0870
274.6201 140.0316
275.1023 133.9387
275.5844 127.7157
276.0665 121.5339
276.5486 115.7135
277.0307 110.5900
277.5128 104.6355
277.9950 96.28305
278.4771 85.19791
278.9592 76.78656
279.4413 71.76129
279.9234 68.48499
280.4055 63.92932
280.8877 57.90134
281.3698 51.92755
281.8519 46.73871
282.3340 42.31671
282.8161 37.88913
283.2982 33.45255
283.7804 29.02252
284.2625 24.59491
284.7446 20.12000
285.2267 15.92426
285.7088 12.09265
286.1909 8.638245
286.6731 5.698700
287.1552 3.314941
287.6373 1.232361
288.1194 0.7098080
288.6015 2.527130
289.0836 4.377380
289.5658 6.400848
290.0479 8.490540
290.5300 10.28949
291.0121 11.76746
291.4942 12.90744
291.9763 13.50198
292.4585 13.65665
292.9406 14.10315
293.4227 15.24118
293.9048 16.60730
294.3869 16.95914
294.8690 16.30203
295.3512 15.70367
295.8333 16.48776
296.3154 18.13327
296.7975 18.82812
297.2796 17.82986
297.7617 16.21301
298.2439 15.91971
298.7260 16.76508
299.2081 17.31625
299.6902 16.12015
300.1723 13.96674
300.6544 12.64105
301.1366 12.66257
301.6187 12.89429
302.1008 11.74146
302.5829 9.542542
303.0650 7.556458
303.5471 6.741058
304.0293 6.521545
304.5114 6.055054
304.9935 5.229248
305.4756 4.364807
305.9577 4.006836
306.4398 3.838501
306.9220 3.136871
307.4041 0.9320370
307.8862 1.599518
308.3683 3.351776
308.8504 4.250336
309.3326 4.654358
309.8147 4.151855
310.2968 3.428345
310.7789 3.502411
311.2610 5.607025
311.7431 8.083862
312.2252 9.804718
312.7073 10.78598
313.1895 11.38083
313.6716 11.80914
314.1537 11.96875
314.6358 11.73575
315.1179 10.75137
315.6000 9.712097
316.0822 8.783081
316.5643 8.030457
317.0464 7.753693
317.5285 8.110962
318.0106 8.976776
318.4927 10.34363
318.9749 12.68091
319.4570 14.70752
319.9391 15.93188
320.4212 16.49435
320.9033 16.75723
321.3854 16.65646
321.8676 16.40747
322.3497 16.04980
322.8318 15.46469
323.3139 15.13260
323.7960 15.28763
324.2781 15.72653
324.7603 16.15543
325.2424 16.39032
325.7245 16.74323
326.2066 17.45309
326.6887 18.67102
327.1708 19.40308
327.6530 18.99051
328.1351 18.33347
328.6172 18.25433
329.0993 19.57251
329.5814 20.60956
330.0635 21.04666
330.5457 20.90668
331.0278 20.89532
331.5099 21.02576
331.9920 21.26962
332.4741 21.60577
332.9562 22.19363
333.4384 22.58542
333.9205 22.55396
334.4026 22.29425
334.8847 22.54083
335.3668 23.40555
335.8489 24.59436
336.3311 26.00888
336.8132 27.80487
337.2953 29.52219
337.7774 31.36502
338.2595 32.95853
338.7416 33.24753
339.2238 31.53693
339.7059 30.62973
340.1880 31.94894
340.6701 35.61093
341.1522 37.95523
341.6343 38.72003
342.1165 38.80328
342.5986 39.02905
343.0807 39.34073
343.5628 40.52322
344.0449 43.09116
344.5270 46.60239
345.0092 49.46448
345.4913 51.64355
345.9734 53.54846
346.4555 55.57150
346.9376 57.66229
347.4197 59.61218
347.9019 61.27945
348.3840 62.88943
348.8661 65.08261
349.3482 67.81903
349.8303 70.54886
350.3124 72.92023
350.7946 75.03772
351.2767 77.15585
351.7588 79.29608
352.2409 81.66574
352.7230 84.73340
353.2051 88.30334
353.6873 91.82236
354.1694 94.67755
354.6515 97.46725
355.1336 101.1244
355.6157 105.7974
356.0978 110.5244
356.5800 114.9821
357.0621 118.9874
357.5442 122.3239
358.0263 124.3805
358.5084 126.2472
358.9905 128.7682
359.4727 131.8102
359.9548 134.9061
360.4369 137.5152
360.9190 140.2006
361.4011 143.4690
361.8832 147.9050
362.3654 151.9354
362.8475 154.9597
363.3296 157.0929
363.8117 158.5574
364.2938 159.5443
364.7759 159.7778
365.2581 159.0731
365.7402 157.2259
366.2223 154.9728
366.7044 152.3434
367.1865 149.4435
367.6686 146.3491
368.1508 142.8740
368.6329 139.4552
369.1150 136.2218
369.5971 133.1813
370.0792 130.0923
370.5613 126.7096
371.0435 123.4802
371.5256 120.6955
372.0077 118.6365
372.4898 116.5550
372.9719 114.1271
373.4540 111.6521
373.9361 110.1919
374.4182 110.4787
374.9004 110.6016
375.3825 109.5627
375.8646 106.8827
376.3467 105.2277
376.8288 104.9295
377.3109 105.2164
377.7931 104.7578
378.2752 103.1953
378.7573 102.5014
379.2394 103.3969
379.7215 105.6888
380.2036 108.2545
380.6858 111.1505
381.1679 113.8409
381.6500 115.5348
382.1321 116.3567
382.6142 117.6576
383.0963 119.6799
383.5785 122.3188
384.0606 125.7169
384.5427 129.7544
385.0248 133.6333
385.5069 136.3789
385.9890 138.6264
386.4712 141.8260
386.9533 146.1364
387.4354 151.0843
387.9175 156.5054
388.3996 162.0926
388.8817 167.1871
389.3639 170.7831
389.8460 174.1133
390.3281 178.5290
390.8102 183.9630
391.2923 189.5961
391.7744 195.2005
392.2566 200.6380
392.7387 205.7588
393.2208 209.8708
393.7029 214.6273
394.1850 221.3692
394.6671 229.4847
395.1493 237.4136
395.6314 244.7007
396.1135 251.5445
396.5956 257.8801
397.0777 263.4607
397.5598 269.7237
398.0420 277.2957
398.5241 285.6134
399.0062 294.0266
399.4883 302.7235
399.9704 311.2434
400.4525 319.1034
400.9347 326.3707
401.4168 334.5018
401.8989 343.8503
402.3810 353.7306
402.8631 363.7280
403.3452 373.6402
403.8274 384.0721
404.3095 394.8328
404.7916 406.1371
405.2737 418.4776
405.7558 432.1742
406.2379 446.1829
406.7201 459.9672
407.2022 473.4577
407.6843 488.9839
408.1664 507.0273
408.6485 525.5888
409.1306 541.8629
409.6128 555.9147
410.0949 570.1535
410.5770 584.6970
411.0591 600.2357
411.5412 618.7080
412.0233 640.2289
412.5055 662.5040
412.9876 684.4650
413.4697 705.9873
413.9518 726.4890
414.4339 745.6268
414.9160 764.0922
415.3982 782.6603
415.8803 800.9329
416.3624 818.7900
416.8445 836.5120
417.3266 853.4666
417.8087 869.0361
418.2909 883.1484
418.7730 897.0616
419.2551 911.3513
419.7372 925.7986
420.2193 940.0034
420.7014 953.6341
421.1836 967.3593
421.6657 980.9464
422.1478 994.6918
422.6299 1009.540
423.1120 1025.656
423.5941 1042.996
424.0763 1061.748
424.5584 1082.898
425.0405 1102.371
425.5226 1120.222
426.0047 1135.984
426.4868 1149.059
426.9690 1159.760
427.4511 1167.394
427.9332 1171.552
428.4153 1172.455
428.8974 1171.309
429.3795 1169.034
429.8617 1163.264
430.3438 1152.761
430.8259 1137.070
431.3080 1117.887
431.7901 1094.404
432.2722 1068.681
432.7544 1042.839
433.2365 1017.042
433.7186 990.9058
434.2007 964.0175
434.6828 936.7346
435.1649 910.1528
435.6470 884.2092
436.1292 859.8496
436.6113 838.4177
437.0934 819.2786
437.5755 800.4875
438.0576 781.7783
438.5397 763.1014
439.0219 744.3198
439.5040 725.4107
439.9861 706.7784
440.4682 689.2183
440.9503 671.4567
441.4324 652.6181
441.9146 632.6488
442.3967 610.7391
442.8788 585.1671
443.3609 557.7650
443.8430 531.0602
444.3251 504.9546
444.8073 479.9042
445.2894 455.9366
445.7715 433.1158
446.2536 411.6129
446.7357 391.2014
447.2178 372.3056
447.7000 355.3273
448.1821 340.5172
448.6642 325.9457
449.1463 311.1408
449.6284 296.9274
450.1105 283.8848
450.5927 272.2205
451.0748 261.2119
451.5569 250.6190
452.0390 240.6353
452.5211 231.5629
453.0032 223.7395
453.4854 216.1189
453.9675 208.0057
454.4496 199.2592
454.9317 192.1831
455.4138 187.0923
455.8959 182.9961
456.3781 178.8246
456.8602 174.5778
457.3423 170.3918
457.8244 166.4342
458.3065 162.4591
458.7886 158.0878
459.2708 153.3069
459.7529 148.6632
460.2350 144.1129
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