#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:37:12 +0300 (Thu, 26 Apr 2018) $
#$Revision: 511 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000063.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_1000063
loop_
_publ_author_name
'Burns, P. C.'
_publ_section_title
;
 The structure of edoylerite determined from a microcrystal
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        R060543
_chemical_formula_sum            'Cr Hg3 O4 S2'
_chemical_name_mineral           Edoylerite
_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                 118.746
_cell_angle_gamma                90
_cell_length_a                   7.5283
_cell_length_b                   14.8325
_cell_length_c                   7.4629
_cell_volume                     730.634
_exptl_crystal_density_diffrn    7.108
_cod_original_formula_sum        'Hg3 Cr S2 O4'
_cod_database_code               9004520
_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            R060543.rod
_rod_data_source.block           3500000
_rod_database.code               1000063
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 9004520 COD http://www.crystallography.net/cod/9004520.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
93.97052 0.0000000E+00
94.45264 9.485840
94.93475 13.56445
95.41687 19.49512
95.89898 31.23291
96.38110 45.77881
96.86321 60.86914
97.34533 71.63135
97.82745 67.80273
98.30956 66.98730
98.79168 69.92627
99.27380 76.88867
99.75591 85.79932
100.2380 96.62061
100.7201 111.5957
101.2023 132.7124
101.6844 159.1904
102.1665 185.4214
102.6486 213.4263
103.1307 239.3062
103.6128 258.9795
104.0950 271.3774
104.5771 279.8135
105.0592 283.9194
105.5413 284.3804
106.0234 282.1445
106.5055 277.0005
106.9877 269.5562
107.4698 263.0815
107.9519 257.7734
108.4340 253.6440
108.9161 249.5029
109.3982 245.5850
109.8804 244.8818
110.3625 245.4180
110.8446 249.7817
111.3267 256.0244
111.8088 257.9873
112.2909 258.5972
112.7731 257.7026
113.2552 251.6362
113.7373 241.7271
114.2194 229.1450
114.7015 216.0366
115.1836 202.1533
115.6658 187.5698
116.1479 171.9517
116.6300 154.5405
117.1121 134.9907
117.5942 114.4209
118.0763 97.62549
118.5584 85.29785
119.0406 74.17725
119.5227 64.36572
120.0048 55.56104
120.4869 46.63623
120.9690 36.95166
121.4511 27.48828
121.9333 19.89941
122.4154 14.11670
122.8975 9.765137
123.3796 7.557129
123.8617 7.547363
124.3438 6.601074
124.8260 2.755859
125.3081 1.835938
125.7902 4.553711
126.2723 3.101074
126.7544 0.1059570
127.2365 0.7246090
127.7187 8.634766
128.2008 13.92725
128.6829 11.37012
129.1650 5.078125
129.6471 0.6992190
130.1292 2.020996
130.6114 8.433594
131.0935 12.24854
131.5756 11.47949
132.0577 9.540527
132.5398 7.747559
133.0219 5.884277
133.5041 2.752930
133.9862 2.897949
134.4683 11.50928
134.9504 17.47510
135.4325 19.35938
135.9146 20.65918
136.3968 23.64502
136.8789 28.22559
137.3610 32.57617
137.8431 36.54248
138.3252 40.50146
138.8073 43.30273
139.2895 42.87988
139.7716 42.68018
140.2537 46.80371
140.7358 56.85547
141.2179 68.76416
141.7000 76.11768
142.1821 79.33301
142.6643 82.87305
143.1464 89.59424
143.6285 97.23730
144.1106 101.6440
144.5927 100.7739
145.0748 98.16211
145.5570 98.30078
146.0391 101.1743
146.5212 103.5171
147.0033 102.4370
147.4854 96.35059
147.9675 89.31201
148.4497 81.44043
148.9318 73.80566
149.4139 67.37646
149.8960 61.69141
150.3781 56.48193
150.8602 52.75732
151.3424 50.97070
151.8245 50.51221
152.3066 47.45020
152.7887 44.35400
153.2708 43.78809
153.7529 46.55664
154.2351 50.74072
154.7172 51.49805
155.1993 43.54102
155.6814 38.43066
156.1635 38.83350
156.6456 41.71582
157.1278 43.27930
157.6099 41.54541
158.0920 37.52246
158.5741 35.56104
159.0562 37.16162
159.5383 38.75000
160.0205 39.22705
160.5026 39.00928
160.9847 39.17969
161.4668 40.46973
161.9489 42.54541
162.4310 43.82715
162.9131 43.66260
163.3953 43.38916
163.8774 43.84961
164.3595 44.97900
164.8416 46.07666
165.3237 46.82373
165.8058 47.20215
166.2880 47.22803
166.7701 46.89062
167.2522 46.22900
167.7343 45.23975
168.2164 43.90918
168.6985 42.34375
169.1807 39.79688
169.6628 37.22021
170.1449 36.00928
170.6270 37.27832
171.1091 39.86816
171.5912 41.15479
172.0734 40.89941
172.5555 39.67236
173.0376 37.05420
173.5197 33.93213
174.0018 31.58301
174.4839 30.82861
174.9661 31.47266
175.4482 32.29102
175.9303 34.20996
176.4124 35.16992
176.8945 34.82422
177.3766 33.19336
177.8588 30.01221
178.3409 24.63379
178.8230 16.96924
179.3051 13.15332
179.7872 16.15967
180.2693 20.01123
180.7515 23.43213
181.2336 26.29492
181.7157 28.91992
182.1978 31.69385
182.6799 34.75195
183.1620 35.05078
183.6441 31.30176
184.1263 26.83740
184.6084 22.46191
185.0905 18.35938
185.5726 15.09570
186.0547 14.12207
186.5368 16.46143
187.0190 17.25684
187.5011 15.41211
187.9832 12.34082
188.4653 8.663086
188.9474 4.708496
189.4296 1.113281
189.9117 1.770996
190.3938 3.895996
190.8759 5.062500
191.3580 5.262695
191.8401 4.242188
192.3223 0.8056640
192.8044 5.759766
193.2865 10.87402
193.7686 8.085449
194.2507 0.2592770
194.7328 7.439453
195.2150 11.11523
195.6971 12.33105
196.1792 12.96191
196.6613 12.96240
197.1434 12.89014
197.6255 12.83496
198.1077 12.92480
198.5898 13.68506
199.0719 16.53320
199.5540 20.63525
200.0361 22.11035
200.5182 19.34912
201.0004 15.87061
201.4825 13.43604
201.9646 11.86035
202.4467 10.69434
202.9288 9.517090
203.4109 8.333008
203.8930 7.935547
204.3752 9.949707
204.8573 10.99658
205.3394 8.847168
205.8215 4.604980
206.3036 0.9785160
206.7857 0.5839840
207.2679 3.685547
207.7500 5.133789
208.2321 2.496094
208.7142 0.3237300
209.1963 0.6166990
209.6784 2.747070
210.1606 4.787109
210.6427 4.974609
211.1248 3.093750
211.6069 1.106445
212.0890 0.5971680
212.5711 2.691406
213.0533 6.101563
213.5354 10.25439
214.0175 13.44043
214.4996 13.68652
214.9817 10.07666
215.4638 10.00781
215.9460 14.97217
216.4281 21.22412
216.9102 28.16650
217.3923 35.11035
217.8744 40.53027
218.3565 42.64453
218.8387 40.88721
219.3208 41.14453
219.8029 43.20752
220.2850 47.16846
220.7671 53.58203
221.2492 62.23242
221.7314 71.70752
222.2135 80.59570
222.6956 88.92285
223.1777 99.55371
223.6598 114.2388
224.1419 129.9004
224.6240 144.7622
225.1062 158.6558
225.5883 170.7339
226.0704 178.6470
226.5525 183.5444
227.0346 193.8164
227.5167 212.8047
227.9989 235.6489
228.4810 257.9795
228.9631 279.5435
229.4452 301.6802
229.9273 324.3179
230.4094 348.2236
230.8916 375.6777
231.3737 405.8232
231.8558 440.2852
232.3379 481.7847
232.8200 530.9263
233.3021 582.9458
233.7843 634.1172
234.2664 686.7065
234.7485 744.8906
235.2306 810.6099
235.7127 881.5381
236.1948 956.1479
236.6770 1035.925
237.1591 1114.620
237.6412 1190.140
238.1233 1263.166
238.6054 1334.482
239.0875 1404.120
239.5697 1472.452
240.0518 1538.531
240.5339 1600.930
241.0160 1666.610
241.4981 1735.236
241.9802 1809.476
242.4624 1892.936
242.9445 1986.927
243.4266 2089.446
243.9087 2196.659
244.3908 2306.843
244.8729 2426.902
245.3550 2559.585
245.8372 2700.840
246.3193 2847.073
246.8014 2997.180
247.2835 3153.375
247.7656 3321.138
248.2477 3498.238
248.7299 3693.477
249.2120 3906.299
249.6941 4135.450
250.1762 4381.279
250.6583 4644.295
251.1404 4921.060
251.6226 5211.540
252.1047 5524.558
252.5868 5826.944
253.0689 6138.921
253.5510 6427.340
254.0331 6683.445
254.5153 6899.374
254.9974 7054.169
255.4795 7118.334
255.9616 7091.627
256.4437 6959.275
256.9258 6709.932
257.4080 6387.954
257.8901 6000.051
258.3722 5558.594
258.8543 5095.665
259.3364 4650.137
259.8185 4211.750
260.3007 3821.860
260.7828 3473.742
261.2649 3163.888
261.7470 2891.859
262.2291 2655.894
262.7112 2457.126
263.1934 2297.050
263.6755 2182.127
264.1576 2087.751
264.6397 2012.493
265.1218 1954.008
265.6039 1913.996
266.0861 1891.114
266.5682 1880.511
267.0503 1877.684
267.5324 1882.521
268.0145 1897.464
268.4966 1928.228
268.9788 1961.823
269.4609 1993.373
269.9430 2022.128
270.4251 2048.370
270.9072 2072.096
271.3893 2093.034
271.8715 2114.210
272.3536 2137.923
272.8357 2159.579
273.3178 2178.787
273.7999 2194.501
274.2820 2204.652
274.7642 2208.057
275.2463 2204.615
275.7284 2192.098
276.2105 2172.729
276.6926 2144.568
277.1747 2106.458
277.6568 2058.913
278.1389 2002.612
278.6211 1937.218
279.1032 1864.425
279.5853 1790.359
280.0674 1709.522
280.5495 1633.730
281.0316 1567.583
281.5138 1508.267
281.9959 1450.254
282.4780 1390.878
282.9601 1332.619
283.4422 1284.005
283.9243 1249.234
284.4065 1214.099
284.8886 1175.244
285.3707 1134.468
285.8528 1094.058
286.3349 1054.578
286.8170 1016.436
287.2992 980.0215
287.7813 945.3608
288.2634 912.5000
288.7455 884.4810
289.2276 857.2261
289.7097 826.5527
290.1919 791.5503
290.6740 752.1943
291.1561 706.2920
291.6382 652.7153
292.1203 602.8052
292.6024 559.6084
293.0846 519.4536
293.5667 478.5190
294.0488 436.1826
294.5309 395.2603
295.0130 358.5264
295.4951 326.1753
295.9773 294.3271
296.4594 260.0586
296.9415 228.2407
297.4236 203.6890
297.9057 186.1743
298.3878 170.3462
298.8700 152.5112
299.3521 133.2354
299.8342 116.0234
300.3163 101.5005
300.7984 88.50000
301.2805 76.66064
301.7627 65.84131
302.2448 55.18311
302.7269 44.02100
303.2090 32.87207
303.6911 23.05615
304.1732 14.45312
304.6554 7.136230
305.1375 1.727539
305.6196 2.291016
306.1017 6.619629
306.5838 12.37451
307.0659 17.73926
307.5481 18.49658
308.0302 13.62891
308.5123 9.339844
308.9944 8.593750
309.4765 9.517578
309.9586 9.314941
310.4408 7.496094
310.9229 3.516113
311.4050 4.673828
311.8871 17.30371
312.3692 27.60303
312.8513 31.84521
313.3335 34.12598
313.8156 39.72510
314.2977 49.45605
314.7798 59.87598
315.2619 67.45312
315.7440 72.47852
316.2262 79.45654
316.7083 88.33643
317.1904 99.56934
317.6725 114.1353
318.1546 131.9106
318.6367 150.6763
319.1188 169.0225
319.6010 187.2139
320.0831 206.5791
320.5652 225.7295
321.0473 247.4443
321.5294 273.2583
322.0115 302.8667
322.4937 336.0537
322.9758 373.2119
323.4579 413.1304
323.9400 451.5073
324.4221 486.7559
324.9042 524.3091
325.3864 567.2061
325.8685 613.6328
326.3506 661.3066
326.8327 710.1372
327.3148 758.0708
327.7969 803.4102
328.2791 848.1611
328.7612 881.7603
329.2433 900.7021
329.7254 908.0322
330.2075 905.3599
330.6896 892.9673
331.1718 875.5869
331.6539 856.4141
332.1360 835.3184
332.6181 817.9287
333.1002 802.9917
333.5823 792.9946
334.0645 788.4609
334.5466 789.9966
335.0287 800.4824
335.5108 822.6880
335.9929 856.0542
336.4750 892.4980
336.9572 931.1133
337.4393 973.5635
337.9214 1019.545
338.4035 1069.945
338.8856 1126.184
339.3677 1188.693
339.8499 1257.696
340.3320 1335.074
340.8141 1425.438
341.2962 1514.678
341.7783 1601.904
342.2604 1685.758
342.7426 1767.122
343.2247 1845.977
343.7068 1914.315
344.1889 1961.982
344.6710 1987.731
345.1531 1987.471
345.6353 1957.537
346.1174 1903.453
346.5995 1823.791
347.0816 1722.053
347.5637 1609.023
348.0458 1493.311
348.5280 1374.119
349.0101 1267.207
349.4922 1172.326
349.9743 1086.743
350.4564 1009.580
350.9385 942.1313
351.4207 887.2544
351.9028 847.3257
352.3849 819.4609
352.8670 792.4165
353.3491 767.6265
353.8312 742.5947
354.3134 716.6963
354.7955 690.8818
355.2776 666.4614
355.7597 643.7349
356.2418 620.9502
356.7239 594.8364
357.2061 562.6035
357.6882 532.7832
358.1703 503.4668
358.6524 477.8818
359.1345 458.7910
359.6166 445.8706
360.0987 436.6348
360.5808 428.3896
361.0630 420.7720
361.5451 417.0879
362.0272 418.2544
362.5093 422.5283
362.9914 429.1284
363.4735 438.2842
363.9557 451.1748
364.4378 468.8682
364.9199 489.8579
365.4020 507.8149
365.8841 522.8677
366.3662 534.3555
366.8484 541.7183
367.3305 545.8530
367.8126 547.1040
368.2947 545.7720
368.7768 543.0586
369.2589 540.5522
369.7411 537.9292
370.2232 536.3901
370.7053 536.1274
371.1874 536.6646
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372.1516 544.3608
372.6338 545.3589
373.1159 538.6763
373.5980 524.4751
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374.5622 485.6548
375.0443 459.4756
375.5265 424.1499
376.0086 384.2744
376.4907 346.7788
376.9728 314.6279
377.4549 286.9639
377.9370 261.4414
378.4192 237.1885
378.9013 217.8228
379.3834 206.9941
379.8655 199.7544
380.3476 192.6182
380.8297 184.8984
381.3119 177.8970
381.7940 171.9956
382.2761 167.2471
382.7582 167.6167
383.2403 176.6953
383.7224 187.6431
384.2046 195.5171
384.6867 201.0830
385.1688 207.3774
385.6509 216.3828
386.1330 227.1421
386.6151 238.0825
387.0973 249.7754
387.5794 259.4497
388.0615 266.5322
388.5436 270.1436
389.0257 268.6079
389.5078 261.6606
389.9900 249.2607
390.4721 229.1118
390.9542 202.1304
391.4363 176.3462
391.9184 154.3999
392.4005 134.7764
392.8827 114.8521
393.3648 94.37500
393.8469 76.16943
394.3290 62.53564
394.8111 51.57227
395.2932 40.07227
395.7754 27.30908
396.2575 16.02979
396.7396 9.133301
397.2217 6.375977
397.7038 2.901855
398.1859 2.921875
398.6681 8.313965
399.1501 11.47754
399.6323 12.67432
400.1144 12.76074
400.5965 11.87842
401.0786 10.65186
401.5607 11.06055
402.0428 15.19043
402.5250 17.17871
403.0071 13.84473
403.4892 8.874512
403.9713 6.477051
404.4534 7.601563
404.9355 10.70703
405.4177 14.43506
405.8998 19.49121
406.3819 20.95947
406.8640 15.00586
407.3461 9.552246
407.8282 9.928223
408.3104 14.10840
408.7925 16.25244
409.2746 12.51074
409.7567 4.425293
410.2388 0.8735350
410.7209 2.273926
411.2031 2.010742
411.6852 1.432129
412.1673 5.497070
412.6494 7.668457
413.1315 7.356934
413.6136 5.911133
414.0958 4.888672
414.5779 4.103516
415.0600 4.513672
415.5421 8.013672
416.0242 10.93555
416.5063 12.68945
416.9885 12.70557
417.4706 9.628418
417.9527 1.651367
418.4348 9.189941
418.9169 15.39746
419.3990 14.26221
419.8812 14.49121
420.3633 20.68457
420.8454 28.34033
421.3275 33.30176
421.8096 34.54443
422.2917 34.02637
422.7739 32.99561
423.2560 31.52393
423.7381 31.51416
424.2202 34.04150
424.7023 36.95264
425.1844 38.67432
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