#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:50:00 +0300 (Thu, 24 May 2018) $
#$Revision: 811 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000301.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_1000301
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 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            R110124.rod
_rod_data_source.block           3500000
_rod_database.code               1000301
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
90.49219 0.0000000E+00
90.97430 9.8082997E-02
91.45642 0.3714900
91.93854 1.509186
92.42065 2.593773
92.90277 3.187798
93.38489 3.355736
93.86700 3.037041
94.34912 1.920731
94.83124 0.6913760
95.31335 0.1770480
95.79547 0.4614030
96.27759 1.213699
96.75970 2.156021
97.24182 3.296913
97.72394 4.369637
98.20605 4.927902
98.68817 5.043922
99.17029 5.992020
99.65240 7.899055
100.1345 10.19963
100.6166 11.97256
101.0988 13.08849
101.5809 14.03055
102.0630 15.13553
102.5451 16.66138
103.0272 17.69936
103.5093 18.03687
103.9915 18.04994
104.4736 18.42524
104.9557 19.26384
105.4378 20.60586
105.9199 22.36124
106.4020 24.57817
106.8842 26.88953
107.3663 29.03461
107.8484 30.93443
108.3305 32.77357
108.8126 34.83334
109.2947 36.75185
109.7769 38.16104
110.2590 38.56137
110.7411 38.92677
111.2232 39.49198
111.7053 40.18536
112.1874 41.05762
112.6696 42.57844
113.1517 44.22272
113.6338 45.44699
114.1159 45.48877
114.5980 45.44668
115.0801 46.06746
115.5623 47.54275
116.0444 48.47930
116.5265 48.39355
117.0086 47.79674
117.4907 48.50617
117.9728 51.94473
118.4550 56.38314
118.9371 61.05233
119.4192 65.50954
119.9013 70.38578
120.3834 75.98049
120.8655 81.49187
121.3477 86.61107
121.8298 91.39047
122.3119 95.98014
122.7940 99.45304
123.2761 101.2854
123.7582 101.1876
124.2404 99.35282
124.7225 96.51633
125.2046 93.73351
125.6867 91.62410
126.1688 89.86640
126.6509 87.87830
127.1331 85.30457
127.6152 82.41223
128.0973 79.49304
128.5794 76.52773
129.0615 73.75556
129.5436 71.63211
130.0258 69.99960
130.5079 68.17547
130.9900 65.60459
131.4721 62.57908
131.9542 60.02390
132.4363 58.03373
132.9185 56.31041
133.4006 54.46568
133.8827 52.49831
134.3648 50.44071
134.8469 48.41649
135.3290 46.39449
135.8112 43.81936
136.2933 40.44439
136.7754 36.75703
137.2575 34.00997
137.7396 32.39035
138.2217 30.85859
138.7039 28.56095
139.1860 25.28666
139.6681 22.85778
140.1502 21.86988
140.6323 21.81259
141.1144 20.35094
141.5966 16.96385
142.0787 13.16182
142.5608 10.13197
143.0429 8.193506
143.5250 6.119884
144.0071 3.647594
144.4893 0.8053890
144.9714 1.725163
145.4535 3.743732
145.9356 5.647984
146.4177 7.803013
146.8998 10.27373
147.3820 12.90814
147.8641 15.75544
148.3462 17.55315
148.8283 19.17359
149.3104 20.82364
149.7925 22.20528
150.2747 22.96032
150.7568 22.45652
151.2389 21.98902
151.7210 21.83517
152.2031 22.09745
152.6852 22.36914
153.1674 23.23463
153.6495 23.97733
154.1316 23.56239
154.6137 21.41068
155.0958 18.51867
155.5779 15.06954
156.0601 10.76480
156.5422 6.679150
157.0243 3.684837
157.5064 0.9995960
157.9885 2.884979
158.4706 8.495056
158.9528 15.22427
159.4349 22.82535
159.9170 31.36479
160.3991 40.58997
160.8812 50.15431
161.3633 60.31520
161.8455 71.74323
162.3276 85.26695
162.8097 99.68575
163.2918 114.5950
163.7739 129.9993
164.2560 145.5283
164.7382 161.0677
165.2203 176.6137
165.7024 192.1517
166.1845 208.7913
166.6666 224.9967
167.1487 239.1812
167.6309 250.6544
168.1130 260.5124
168.5951 268.9989
169.0772 276.2436
169.5593 282.7215
170.0414 288.2595
170.5236 293.3566
171.0057 298.4960
171.4878 303.5455
171.9699 309.0202
172.4520 315.1889
172.9341 322.0841
173.4163 329.7433
173.8984 338.0063
174.3805 347.1567
174.8626 357.3264
175.3447 369.3043
175.8268 382.1560
176.3090 394.6053
176.7911 406.5131
177.2732 419.2974
177.7553 432.4534
178.2374 444.7283
178.7195 455.9587
179.2017 466.1064
179.6838 475.4391
180.1659 483.8161
180.6480 491.3026
181.1301 498.7566
181.6122 507.9908
182.0944 518.3005
182.5765 527.0162
183.0586 532.6353
183.5407 536.0110
184.0228 539.0347
184.5049 541.6254
184.9871 544.3595
185.4692 548.3775
185.9513 553.3758
186.4334 557.3760
186.9155 558.8924
187.3976 558.6555
187.8798 559.1596
188.3619 560.5304
188.8440 562.3768
189.3261 564.2455
189.8082 566.1568
190.2903 567.9052
190.7725 569.3445
191.2546 570.5553
191.7367 571.6948
192.2188 572.7800
192.7009 573.8173
193.1830 574.7537
193.6652 575.5697
194.1473 576.3014
194.6294 576.7571
195.1115 576.9978
195.5936 577.8709
196.0757 579.5756
196.5579 581.6452
197.0400 583.2279
197.5221 584.3181
198.0042 585.1801
198.4863 585.9206
198.9684 586.4978
199.4506 587.2091
199.9327 588.1444
200.4148 589.0638
200.8969 589.3800
201.3790 589.0506
201.8611 588.4245
202.3433 587.4390
202.8254 586.0010
203.3075 585.5774
203.7896 586.7357
204.2717 588.5274
204.7538 588.3446
205.2360 585.7950
205.7181 582.6304
206.2002 579.8517
206.6823 577.5003
207.1644 575.2436
207.6465 573.0839
208.1287 571.0270
208.6108 569.1943
209.0929 567.6977
209.5750 566.0738
210.0571 564.0729
210.5392 561.7570
211.0214 558.7013
211.5035 554.4868
211.9856 549.7342
212.4677 546.5614
212.9498 545.4903
213.4319 545.0703
213.9141 544.6246
214.3962 544.2796
214.8783 543.3295
215.3604 541.3354
215.8425 538.7728
216.3246 537.2694
216.8067 537.0302
217.2889 537.2730
217.7710 537.6417
218.2531 538.3025
218.7352 538.5444
219.2173 538.1941
219.6994 537.3729
220.1816 536.6120
220.6637 535.8637
221.1458 535.2287
221.6279 534.8149
222.1100 534.8189
222.5921 534.5141
223.0743 533.7751
223.5564 532.6873
224.0385 531.6734
224.5206 530.7667
225.0027 529.9013
225.4848 528.9933
225.9670 527.8648
226.4491 527.2398
226.9312 527.6142
227.4133 528.5959
227.8954 528.2076
228.3775 525.7341
228.8597 522.9257
229.3418 520.8844
229.8239 520.0468
230.3060 518.9158
230.7881 517.1752
231.2702 515.0092
231.7524 513.3868
232.2345 512.5511
232.7166 511.8685
233.1987 510.9977
233.6808 509.9810
234.1629 508.6404
234.6451 507.0010
235.1272 505.0161
235.6093 502.4432
236.0914 498.9243
236.5735 495.3126
237.0556 492.0936
237.5378 489.4524
238.0199 486.8603
238.5020 484.4346
238.9841 482.0638
239.4662 479.2603
239.9483 475.7466
240.4305 472.2332
240.9126 469.1820
241.3947 467.1918
241.8768 464.3378
242.3589 460.0954
242.8410 454.9796
243.3232 450.7493
243.8053 447.7390
244.2874 445.1643
244.7695 442.7584
245.2516 440.9299
245.7337 438.2719
246.2159 434.5558
246.6980 429.9630
247.1801 425.1194
247.6622 419.7559
248.1443 414.4549
248.6264 409.5720
249.1086 405.3264
249.5907 400.8974
250.0728 396.2073
250.5549 391.3539
251.0370 386.6250
251.5191 382.2016
252.0013 377.6367
252.4834 372.7008
252.9655 367.4187
253.4476 361.8526
253.9297 355.9507
254.4118 349.8139
254.8940 343.4428
255.3761 336.4706
255.8582 329.8817
256.3403 324.2550
256.8224 320.0562
257.3046 315.2296
257.7867 309.4733
258.2688 303.2910
258.7509 297.8151
259.2330 293.6239
259.7151 289.0486
260.1973 283.2374
260.6794 275.8817
261.1615 269.0465
261.6436 262.7224
262.1257 257.0509
262.6078 252.5609
263.0900 250.0605
263.5721 246.8645
264.0542 241.8805
264.5363 234.7090
265.0184 228.1382
265.5005 222.1916
265.9827 216.7829
266.4648 211.6356
266.9469 206.6979
267.4290 202.2481
267.9111 198.5323
268.3932 195.6429
268.8754 192.0081
269.3575 187.2023
269.8396 182.2262
270.3217 178.6149
270.8038 176.8100
271.2859 174.6271
271.7681 171.4764
272.2502 167.3926
272.7323 163.0370
273.2144 158.2786
273.6965 153.5071
274.1786 149.1966
274.6608 145.3774
275.1429 141.8090
275.6250 138.3714
276.1071 135.0921
276.5892 132.0915
277.0714 129.5608
277.5535 127.0692
278.0356 124.1377
278.5177 120.6938
278.9998 117.3961
279.4819 114.5259
279.9641 111.8748
280.4462 108.6068
280.9283 104.6107
281.4104 100.4178
281.8925 96.26611
282.3746 92.15982
282.8568 88.56528
283.3389 85.73816
283.8210 83.39236
284.3031 80.68964
284.7852 77.55786
285.2673 74.44760
285.7495 71.61771
286.2316 69.07529
286.7137 66.85678
287.1958 65.11496
287.6779 63.43173
288.1600 60.73929
288.6422 57.01672
289.1243 53.50412
289.6064 51.26535
290.0885 50.07196
290.5706 48.62671
291.0527 46.60416
291.5349 44.60068
292.0170 43.84985
292.4991 44.23062
292.9812 44.34000
293.4633 43.38470
293.9454 41.56882
294.4276 39.42374
294.9097 36.95016
295.3918 34.45059
295.8739 32.16992
296.3560 30.17636
296.8381 28.65390
297.3203 27.96359
297.8024 27.77298
298.2845 27.44028
298.7666 26.96692
299.2487 26.32214
299.7308 25.53287
300.2130 24.52838
300.6951 23.09302
301.1772 20.81018
301.6593 18.23001
302.1414 15.92923
302.6235 13.93390
303.1057 12.47989
303.5878 12.19522
304.0699 12.62131
304.5520 12.96420
305.0341 13.26492
305.5162 13.10721
305.9984 11.56812
306.4805 8.885254
306.9626 6.560608
307.4447 6.040649
307.9268 6.366333
308.4089 6.306061
308.8911 5.364014
309.3732 4.208160
309.8553 3.336304
310.3374 2.712769
310.8195 2.133636
311.3016 1.471649
311.7838 0.8442380
312.2659 0.3591610
312.7480 6.4208999E-02
313.2301 0.1900330
313.7122 0.5895390
314.1943 1.031647
314.6765 1.267914
315.1586 0.8984070
315.6407 0.4966740
316.1228 0.4931030
316.6049 1.041199
317.0870 1.548798
317.5692 1.453674
318.0513 1.213989
318.5334 1.467957
319.0155 3.140594
319.4976 4.718018
319.9797 5.484619
320.4619 5.343933
320.9440 4.998016
321.4261 4.210693
321.9082 3.507965
322.3903 3.389099
322.8724 4.667389
323.3546 5.870209
323.8367 6.536743
324.3188 6.657135
324.8009 6.869415
325.2830 7.552216
325.7651 8.202087
326.2473 8.490082
326.7294 8.133789
327.2115 7.690552
327.6936 6.969055
328.1757 6.100220
328.6578 5.754547
329.1400 6.647736
329.6221 7.411774
330.1042 7.420898
330.5863 5.737915
331.0684 4.943634
331.5505 5.690674
332.0327 7.213074
332.5148 7.748566
332.9969 6.515198
333.4790 5.360352
333.9611 5.024994
334.4432 5.874207
334.9254 6.175171
335.4075 5.688416
335.8896 4.820282
336.3717 4.137634
336.8538 3.713837
337.3359 3.365845
337.8180 3.055908
338.3001 2.779388
338.7823 2.428619
339.2644 1.860168
339.7465 1.454651
340.2286 1.752258
340.7107 2.921509
341.1928 3.636658
341.6750 3.455322
342.1571 2.660400
342.6392 2.366333
343.1213 2.660858
343.6034 3.038086
344.0855 3.361389
344.5677 3.589447
345.0498 2.778717
345.5319 0.3559880
346.0140 2.387146
346.4961 2.622620
346.9782 0.4573060
347.4604 1.735840
347.9425 2.555481
348.4246 2.314117
348.9067 2.033264
349.3888 1.774780
349.8709 1.424469
350.3531 0.6980900
350.8352 0.2789610
351.3173 1.038940
351.7994 1.158539
352.2815 1.003204
352.7636 1.238678
353.2458 1.861725
353.7279 2.464142
354.2100 2.494934
354.6921 2.295654
355.1742 2.513550
355.6563 3.828400
356.1385 5.112244
356.6206 4.948425
357.1027 3.636566
357.5848 2.705200
358.0669 3.398712
358.5490 4.722961
359.0312 5.681213
359.5133 5.842468
359.9954 6.161896
360.4775 7.729980
360.9596 9.863770
361.4417 11.10577
361.9239 10.13614
362.4060 8.690521
362.8881 7.678284
363.3702 7.242950
363.8523 6.991638
364.3344 6.740295
364.8166 6.625000
365.2987 6.795715
365.7808 7.397888
366.2629 8.198425
366.7450 9.305115
367.2271 10.70844
367.7093 11.74512
368.1914 12.24731
368.6735 12.41333
369.1556 12.35809
369.6377 11.68845
370.1198 11.31747
370.6020 11.42801
371.0841 11.87958
371.5662 12.15689
372.0483 12.10486
372.5304 12.06647
373.0125 12.17944
373.4947 12.46530
373.9768 12.85364
374.4589 13.36673
374.9410 13.95175
375.4231 14.57086
375.9052 15.30328
376.3874 15.85883
376.8695 16.12094
377.3516 16.08585
377.8337 15.93997
378.3158 15.65617
378.7979 15.40176
379.2801 15.30347
379.7622 15.34868
380.2443 15.76849
380.7264 16.80400
381.2085 18.02106
381.6906 18.02039
382.1728 16.79054
382.6549 15.70293
383.1370 15.75854
383.6191 16.73380
384.1012 17.84924
384.5833 19.08269
385.0655 20.34404
385.5476 21.86880
386.0297 23.43449
386.5118 24.13966
386.9939 22.69897
387.4760 20.43869
387.9582 19.37178
388.4403 19.59969
388.9224 20.17348
389.4045 20.49222
389.8866 20.56091
390.3687 20.44620
390.8509 20.00845
391.3330 19.70494
391.8151 20.13168
392.2972 20.99716
392.7793 21.31133
393.2614 19.92239
393.7436 18.28369
394.2257 17.40546
394.7078 17.67575
395.1899 18.18144
395.6720 18.74298
396.1541 19.30478
396.6363 19.78453
397.1184 20.17200
397.6005 20.47200
398.0826 20.64806
398.5647 20.65720
399.0468 20.57291
399.5290 20.24297
400.0111 20.00096
400.4932 20.07323
400.9753 20.75035
401.4574 21.28093
401.9395 21.48044
402.4217 21.46536
402.9038 21.86461
403.3859 23.12520
403.8680 24.32892
404.3501 24.81808
404.8322 24.13771
405.3144 23.94981
405.7965 24.51936
406.2786 25.46172
406.7607 26.01834
407.2428 26.07736
407.7249 26.38203
408.2071 27.37552
408.6892 28.89285
409.1713 29.69183
409.6534 29.66011
410.1355 29.34187
410.6176 29.12383
411.0998 29.04755
411.5819 29.31970
412.0640 30.04761
412.5461 30.94940
413.0282 31.61539
413.5103 32.12378
413.9925 32.66533
414.4746 33.30646
414.9567 33.95372
415.4388 34.52870
415.9209 35.09102
416.4030 35.75017
416.8852 36.43654
417.3673 37.24625
417.8494 38.38687
418.3315 40.62105
418.8136 42.74167
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