#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:59 +0300 (Thu, 26 Apr 2018) $
#$Revision: 585 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000125.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_1000125
loop_
_publ_author_name
'Topa, D.'
'Makovicky, E.'
_publ_section_title
;
 Eclarite: New data and interpretations
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              371
_journal_page_last               386
_journal_paper_doi               10.3749/canmin.50.2.371
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'Felbertal, Salzburg Province, Austria'
_chemical_formula_sum            'Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28'
_chemical_name_mineral           Eclarite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0307
_cell_length_b                   22.7011
_cell_length_c                   54.6145
_cell_volume                     4997.299
_exptl_crystal_density_diffrn    7.073
_cod_original_formula_sum        'Bi13.604 Pb7.25 Cu.842 Fe.45 S28'
_cod_database_code               9015485
_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            R110124.rod
_rod_data_source.block           3500000
_rod_database.code               1000125
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 9015485 COD http://www.crystallography.net/cod/9015485.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
96.90680 0.0000000E+00
97.38892 23.51855
97.87103 46.71484
98.35315 58.06104
98.83527 51.66504
99.31738 43.72021
99.79950 39.28857
100.2816 34.07715
100.7637 24.36230
101.2458 14.80176
101.7280 6.280762
102.2101 0.9399410
102.6922 3.760254
103.1743 0.5205080
103.6564 10.77441
104.1385 20.08789
104.6207 24.08447
105.1028 23.62451
105.5849 25.71777
106.0670 33.59424
106.5491 41.78857
107.0313 43.92920
107.5134 39.08594
107.9955 33.51416
108.4776 33.03809
108.9597 37.80664
109.4418 43.31250
109.9240 50.20557
110.4061 56.96777
110.8882 61.61475
111.3703 63.55322
111.8524 64.70801
112.3345 69.62109
112.8167 82.16699
113.2988 94.19141
113.7809 104.1157
114.2630 112.7812
114.7451 121.4351
115.2272 130.7852
115.7094 139.3623
116.1915 143.8882
116.6736 143.8228
117.1557 141.0972
117.6378 134.1343
118.1199 124.4434
118.6021 115.0444
119.0842 108.1807
119.5663 104.2886
120.0484 101.7832
120.5305 102.2490
121.0126 102.7148
121.4948 101.5303
121.9769 98.82861
122.4590 93.71777
122.9411 83.83008
123.4232 70.74707
123.9053 58.01416
124.3875 47.03564
124.8696 37.45020
125.3517 28.15039
125.8338 17.82227
126.3159 9.650391
126.7980 6.131348
127.2802 6.683594
127.7623 8.651367
128.2444 9.830078
128.7265 12.32617
129.2086 19.19336
129.6907 29.46924
130.1729 38.05566
130.6550 45.04395
131.1371 50.65918
131.6192 54.44922
132.1013 55.26855
132.5834 50.41699
133.0656 47.86230
133.5477 46.34619
134.0298 46.25732
134.5119 49.50586
134.9940 56.53320
135.4761 65.61719
135.9583 72.86133
136.4404 75.12646
136.9225 79.95947
137.4046 89.91699
137.8867 102.5107
138.3688 113.9316
138.8510 122.2241
139.3331 128.5386
139.8152 136.4121
140.2973 145.9297
140.7794 156.1777
141.2615 167.4712
141.7437 179.4526
142.2258 190.3843
142.7079 198.6313
143.1900 205.8267
143.6721 215.2983
144.1542 228.6274
144.6364 242.2778
145.1185 253.2246
145.6006 261.4683
146.0827 267.0889
146.5648 267.8032
147.0469 266.5454
147.5291 266.6543
148.0112 270.5679
148.4933 275.3462
148.9754 273.9634
149.4575 263.2690
149.9396 251.2231
150.4218 240.9204
150.9039 230.9902
151.3860 219.8711
151.8681 206.6792
152.3502 191.2739
152.8323 174.0098
153.3145 151.7031
153.7966 130.4287
154.2787 111.6494
154.7608 100.8662
155.2429 90.11328
155.7250 77.67432
156.2072 63.34375
156.6893 51.05908
157.1714 40.67041
157.6535 31.73730
158.1356 24.74658
158.6177 19.26172
159.0999 13.61279
159.5820 6.167480
160.0641 3.621094
160.5462 12.31641
161.0283 20.96973
161.5104 27.63916
161.9926 29.97998
162.4747 27.73340
162.9568 24.14844
163.4389 22.15039
163.9210 21.67773
164.4031 21.55664
164.8853 22.05859
165.3674 22.69824
165.8495 22.31201
166.3316 20.56982
166.8137 18.29883
167.2958 16.42334
167.7780 14.81104
168.2601 12.78125
168.7422 10.25537
169.2243 7.132324
169.7064 8.427836
170.1885 4.812988
170.6707 12.30811
171.1528 18.33203
171.6349 23.00684
172.1170 26.92725
172.5991 30.03223
173.0812 32.21387
173.5634 35.78662
174.0455 42.09424
174.5276 48.90479
175.0097 55.31348
175.4918 61.28906
175.9739 67.37500
176.4561 74.62451
176.9382 84.03125
177.4203 90.98877
177.9024 93.76807
178.3845 95.75488
178.8666 98.34229
179.3488 101.9385
179.8309 106.3955
180.3130 111.7915
180.7951 119.0352
181.2772 125.0708
181.7593 128.7949
182.2415 132.2085
182.7236 137.2905
183.2057 144.3472
183.6878 151.5557
184.1699 156.1089
184.6520 156.3398
185.1342 157.2139
185.6163 159.0137
186.0984 161.4614
186.5805 164.7383
187.0626 169.0210
187.5447 173.0225
188.0269 173.9243
188.5090 170.7449
188.9911 168.8574
189.4732 169.3125
189.9553 171.8074
190.4374 176.2898
190.9196 183.2559
191.4017 191.1636
191.8838 197.7341
192.3659 203.0081
192.8480 207.9460
193.3301 212.7434
193.8123 217.4285
194.2944 222.2439
194.7765 227.1279
195.2586 232.4346
195.7407 238.4478
196.2228 245.1687
196.7050 252.1355
197.1871 259.4055
197.6692 266.9387
198.1513 273.5369
198.6334 278.1477
199.1155 282.4526
199.5977 287.2314
200.0798 292.6223
200.5619 299.0928
201.0440 307.1489
201.5261 316.9048
202.0082 327.6855
202.4904 340.0430
202.9725 353.0457
203.4546 366.5234
203.9367 380.3408
204.4188 394.1426
204.9009 407.3359
205.3831 419.4702
205.8652 432.4282
206.3473 447.8613
206.8294 462.8508
207.3115 475.2141
207.7936 484.8257
208.2758 493.4702
208.7579 503.6223
209.2400 515.9922
209.7221 528.4038
210.2042 539.8162
210.6863 551.8843
211.1685 566.2903
211.6506 583.1169
212.1327 600.5195
212.6148 615.6892
213.0969 626.3196
213.5790 639.5078
214.0612 657.8257
214.5433 676.8584
215.0254 692.6621
215.5075 704.4241
215.9896 715.0659
216.4718 728.8823
216.9539 748.3711
217.4360 764.9038
217.9181 775.2375
218.4002 783.6445
218.8823 794.5352
219.3645 809.0981
219.8466 825.3618
220.3287 840.8992
220.8108 855.8906
221.2929 869.9604
221.7750 882.6150
222.2572 894.3555
222.7393 905.6687
223.2214 916.6028
223.7035 927.4614
224.1856 938.3423
224.6677 949.2578
225.1499 961.2024
225.6320 976.0715
226.1141 991.7739
226.5962 1004.600
227.0783 1013.521
227.5604 1021.045
228.0426 1029.007
228.5247 1037.317
229.0068 1046.768
229.4889 1058.226
229.9710 1070.922
230.4531 1083.576
230.9353 1096.680
231.4174 1108.193
231.8995 1116.000
232.3816 1121.086
232.8637 1125.887
233.3458 1131.360
233.8280 1137.375
234.3101 1143.432
234.7922 1149.054
235.2743 1155.705
235.7564 1164.411
236.2385 1174.553
236.7207 1185.040
237.2028 1196.164
237.6849 1207.185
238.1670 1214.928
238.6491 1218.496
239.1312 1219.659
239.6134 1218.548
240.0955 1216.012
240.5776 1213.242
241.0597 1210.769
241.5418 1208.701
242.0239 1207.808
242.5061 1208.723
242.9882 1209.998
243.4703 1211.991
243.9524 1214.003
244.4345 1214.970
244.9166 1214.274
245.3988 1211.964
245.8809 1208.501
246.3630 1202.759
246.8451 1197.116
247.3272 1193.093
247.8093 1189.127
248.2915 1183.519
248.7736 1175.387
249.2557 1164.706
249.7378 1151.450
250.2199 1133.323
250.7020 1115.222
251.1842 1098.380
251.6663 1081.956
252.1484 1065.329
252.6305 1048.026
253.1126 1029.785
253.5947 1009.124
254.0769 985.0903
254.5590 959.9153
255.0411 930.9397
255.5232 901.8896
256.0053 876.9072
256.4874 857.8040
256.9695 842.4700
257.4517 825.9175
257.9338 809.5486
258.4159 789.7471
258.8980 763.6589
259.3801 735.4358
259.8622 708.5276
260.3444 684.3552
260.8265 663.0498
261.3086 644.8894
261.7907 633.5754
262.2728 618.9407
262.7549 598.1648
263.2371 575.2598
263.7192 554.1855
264.2013 535.9268
264.6834 519.2322
265.1655 502.2681
265.6476 484.7131
266.1298 468.0085
266.6119 451.7368
267.0940 436.4792
267.5761 423.2886
268.0582 412.2129
268.5403 401.9272
269.0225 390.8271
269.5046 378.6458
269.9867 367.0850
270.4688 357.0969
270.9509 347.2439
271.4330 335.9207
271.9152 323.0674
272.3973 310.3843
272.8794 299.8745
273.3615 291.6880
273.8436 282.1379
274.3257 268.5452
274.8079 255.3113
275.2900 247.1831
275.7721 243.9583
276.2542 240.3445
276.7363 231.9404
277.2184 219.3032
277.7006 208.3601
278.1827 199.4050
278.6648 192.0305
279.1469 187.2886
279.6290 184.7068
280.1111 180.4277
280.5933 171.2590
281.0754 158.8784
281.5575 149.3442
282.0396 144.6812
282.5217 140.4143
283.0038 133.5366
283.4860 124.5254
283.9681 115.6353
284.4502 107.6345
284.9323 100.6504
285.4144 94.74780
285.8965 90.25439
286.3787 85.96924
286.8608 80.90332
287.3429 75.44873
287.8250 71.00269
288.3071 68.44165
288.7892 66.54199
289.2714 63.04199
289.7535 57.58887
290.2356 53.47070
290.7177 53.84644
291.1998 56.76831
291.6819 56.90649
292.1641 52.70581
292.6462 46.13745
293.1283 38.36328
293.6104 29.62012
294.0925 22.43286
294.5746 18.29785
295.0568 16.34619
295.5389 15.02148
296.0210 14.27832
296.5031 13.78613
296.9852 13.31274
297.4673 12.86133
297.9495 12.37769
298.4316 12.45459
298.9137 12.24341
299.3958 10.25659
299.8779 6.185547
300.3600 1.794678
300.8422 2.088135
301.3243 5.436279
301.8064 7.954102
302.2885 9.551270
302.7706 10.47046
303.2527 10.95605
303.7349 11.01099
304.2170 10.61035
304.6991 9.554199
305.1812 8.117676
305.6633 6.569092
306.1454 4.749756
306.6276 3.208496
307.1097 2.370117
307.5918 2.226807
308.0739 2.863281
308.5560 5.031250
309.0381 7.258789
309.5203 7.632324
310.0024 5.943115
310.4845 4.446777
310.9666 4.945801
311.4487 7.066162
311.9308 8.932617
312.4130 10.42651
312.8951 11.09375
313.3772 10.40356
313.8593 8.535889
314.3414 6.363281
314.8235 4.205322
315.3057 2.060303
315.7878 0.4145510
316.2699 0.5102273
316.7520 0.7813170
317.2341 3.071533
317.7162 2.853760
318.1984 3.947293
318.6805 4.061529
319.1626 4.965088
319.6447 3.570313
320.1268 3.140625
320.6089 2.656250
321.0911 1.438232
321.5732 0.1494140
322.0553 1.719238
322.5374 3.398682
323.0195 4.698486
323.5016 4.742676
323.9838 3.486084
324.4659 2.910645
324.9480 4.467041
325.4301 6.635986
325.9122 7.423096
326.3943 6.442871
326.8765 5.423828
327.3586 5.728027
327.8407 7.129150
328.3228 8.479248
328.8049 9.444092
329.2870 10.45947
329.7692 12.31006
330.2513 14.74219
330.7334 16.29956
331.2155 15.71973
331.6976 13.84033
332.1797 12.30127
332.6619 11.02002
333.1440 11.02344
333.6261 14.40283
334.1082 19.65552
334.5903 23.35498
335.0724 22.88354
335.5546 21.19849
336.0367 22.68164
336.5188 27.70996
337.0009 32.13965
337.4830 33.18457
337.9651 32.15356
338.4473 31.53418
338.9294 31.70654
339.4115 32.24731
339.8936 33.17944
340.3758 34.32935
340.8579 34.58472
341.3400 33.06372
341.8221 30.90601
342.3042 29.73828
342.7863 29.61914
343.2685 29.93164
343.7506 30.55664
344.2327 31.39355
344.7148 32.17896
345.1969 32.84351
345.6790 33.47534
346.1612 34.13184
346.6433 34.80908
347.1254 35.60693
347.6075 36.70068
348.0896 37.83862
348.5717 39.24170
349.0539 41.01245
349.5360 41.39136
350.0181 38.30273
350.5002 32.51868
350.9823 28.01782
351.4644 24.88611
351.9466 23.25391
352.4287 23.67090
352.9108 25.85266
353.3929 28.56335
353.8750 31.59521
354.3571 34.39062
354.8393 35.28748
355.3214 32.82703
355.8035 31.93555
356.2856 36.81091
356.7677 44.01233
357.2498 47.00781
357.7320 43.63721
358.2141 37.28296
358.6962 31.78711
359.1783 26.80371
359.6604 24.24133
360.1425 27.22681
360.6247 31.02356
361.1068 30.47559
361.5889 25.38892
362.0710 20.32800
362.5531 19.36890
363.0352 22.46802
363.5174 23.65308
363.9995 21.06287
364.4816 18.60669
364.9637 18.59509
365.4458 20.18018
365.9279 20.98547
366.4101 19.60535
366.8922 16.78931
367.3743 15.12488
367.8564 14.39844
368.3385 15.22461
368.8206 19.53333
369.3028 24.41943
369.7849 26.33276
370.2670 24.37231
370.7491 20.68713
371.2312 18.27515
371.7133 17.98950
372.1955 16.68701
372.6776 13.33484
373.1597 9.921875
373.6418 7.187866
374.1239 5.368896
374.6060 5.007935
375.0882 6.794800
375.5703 10.42444
376.0524 11.85461
376.5345 10.03516
377.0166 7.892090
377.4987 5.354858
377.9809 2.942993
378.4630 1.465332
378.9451 1.335693
379.4272 2.096313
379.9093 2.581665
380.3914 2.185303
380.8736 2.426880
381.3557 4.494385
381.8378 6.341431
382.3199 6.046021
382.8020 3.592285
383.2841 0.7744140
383.7663 0.4028320
384.2484 0.2424320
384.7305 1.076660
385.2126 3.314575
385.6947 4.531616
386.1768 2.633911
386.6590 0.8249510
387.1411 2.551636
387.6232 0.1950680
388.1053 4.736328
388.5874 6.677246
389.0695 4.065918
389.5517 1.268799
390.0338 1.656494
390.5159 3.791870
390.9980 3.971680
391.4801 1.880859
391.9622 1.150513
392.4444 3.687866
392.9265 5.735962
393.4086 7.171021
393.8907 8.326416
394.3728 8.472900
394.8549 6.665405
395.3371 3.350342
395.8192 0.2106930
396.3013 1.811401
396.7834 2.825195
397.2655 3.171631
397.7477 2.848999
398.2298 1.837158
398.7119 3.316157
399.1940 3.304810
399.6761 5.628052
400.1582 7.345093
400.6404 8.229492
401.1225 7.728394
401.6046 5.906372
402.0867 4.133179
402.5688 2.490723
403.0509 1.458740
403.5331 1.415283
404.0152 2.333618
404.4973 4.187866
404.9794 8.659912
405.4615 13.58997
405.9436 14.42371
406.4258 10.17859
406.9079 5.670898
407.3900 5.032959
407.8721 7.612427
408.3542 9.528320
408.8363 9.818604
409.3185 10.04883
409.8006 11.30676
410.2827 13.39038
410.7648 15.62292
411.2469 17.81152
411.7290 19.77625
412.2112 20.86621
412.6933 20.25012
413.1754 20.86292
413.6575 23.59680
414.1396 27.61719
414.6217 32.68481
415.1039 38.50891
415.5860 43.48157
416.0681 45.73950
416.5502 44.88062
417.0323 45.81665
417.5144 49.58289
417.9966 53.77368
418.4787 57.20520
418.9608 60.34338
419.4429 64.26245
419.9250 69.54492
420.4071 75.84119
420.8893 82.25049
421.3714 89.86133
421.8535 95.74756
422.3356 98.69897
422.8177 100.8556
423.2998 103.5200
423.7820 107.0492
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