#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:59 +0300 (Thu, 26 Apr 2018) $
#$Revision: 556 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000102.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_1000102
loop_
_publ_author_name
'Yang, H.'
'Pinch, W. W.'
'Downs, R. T.'
_publ_section_title
;
 Crystal structure of argentopyrite, AgFe2S3, and its relationship with
 cubanite Locality: Joachimstal, Bohemia, Czech Republic, type sample
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1727
_journal_page_last               1730
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        R090026
_chemical_formula_sum            'Ag Fe2 S3'
_chemical_name_mineral           Argentopyrite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2n'
_symmetry_space_group_name_H-M   'P 1 1 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.2420
_cell_length_a                   6.6902
_cell_length_b                   11.4497
_cell_length_c                   6.4525
_cell_volume                     494.262
_exptl_crystal_density_diffrn    4.243
_cod_database_code               9013697
_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            R090026.rod
_rod_data_source.block           3500000
_rod_database.code               1000102
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 9013697 COD http://www.crystallography.net/cod/9013697.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
158.4269 0.0000000E+00
158.9090 0.2091520
159.3912 5.0050002E-03
159.8733 0.2048110
160.3554 1.356293
160.8375 2.652939
161.3196 3.378502
161.8017 3.262611
162.2839 2.450233
162.7660 1.864212
163.2481 1.748024
163.7302 1.537865
164.2123 0.8821330
164.6944 0.1598280
165.1766 9.2499003E-02
165.6587 0.4680630
166.1408 1.660255
166.6229 2.362160
167.1050 2.147850
167.5871 1.914192
168.0693 1.884987
168.5514 1.969025
169.0335 1.949486
169.5156 1.667793
169.9977 1.147713
170.4798 0.7998500
170.9620 0.6839520
171.4441 0.6413120
171.9262 0.6221620
172.4083 0.7570270
172.8904 0.7582470
173.3725 0.7478790
173.8547 0.7392270
174.3368 0.7990040
174.8189 0.9297490
175.3010 1.127335
175.7831 1.457550
176.2652 1.929703
176.7474 2.334915
177.2295 2.408272
177.7116 2.229851
178.1937 1.946541
178.6758 1.393707
179.1579 0.8192830
179.6401 0.6035000
180.1222 0.8192670
180.6043 1.214218
181.0864 1.875153
181.5685 2.574196
182.0506 2.959991
182.5328 2.699814
183.0149 2.038597
183.4970 1.828430
183.9791 2.562958
184.4612 2.966278
184.9433 2.129486
185.4255 0.6558610
185.9076 0.3796920
186.3897 7.6560996E-02
186.8718 1.360687
187.3539 2.114296
187.8360 1.476860
188.3182 0.8543400
188.8003 0.5960690
189.2824 0.6681980
189.7645 0.9601750
190.2466 1.435852
190.7287 2.119011
191.2109 2.517914
191.6930 2.282417
192.1751 1.971954
192.6572 1.798103
193.1393 1.769081
193.6214 1.577759
194.1036 1.090157
194.5857 0.3292310
195.0678 0.1311650
195.5499 0.5008620
196.0320 0.9923020
196.5141 1.382645
196.9963 1.635780
197.4784 1.756416
197.9605 1.706825
198.4426 1.438873
198.9247 1.502022
199.4068 2.452477
199.8890 3.284256
200.3711 3.156204
200.8532 2.065285
201.3353 0.8613280
201.8174 0.3400570
202.2995 0.5597380
202.7817 0.6523820
203.2638 0.3619690
203.7459 6.2843002E-02
204.2280 0.1900250
204.7101 0.8093800
205.1922 1.450836
205.6744 1.705566
206.1565 1.606987
206.6386 1.510529
207.1207 1.744293
207.6028 2.071587
208.0849 2.127174
208.5671 1.823006
209.0492 1.485909
209.5313 1.373375
210.0134 1.422653
210.4955 1.525948
210.9776 1.706772
211.4598 1.909904
211.9419 2.026894
212.4240 2.096405
212.9061 1.982307
213.3882 1.358833
213.8703 0.5190810
214.3525 3.3950999E-02
214.8346 0.4527360
215.3167 1.467979
215.7988 2.034698
216.2809 2.032028
216.7630 2.045967
217.2451 2.432228
217.7273 3.010780
218.2094 3.462250
218.6915 3.597527
219.1736 3.446426
219.6557 3.160965
220.1378 2.531151
220.6200 2.079330
221.1021 2.102402
221.5842 2.317360
222.0663 2.317268
222.5484 1.752182
223.0305 0.7095340
223.5127 7.4782997E-02
223.9948 0.1196900
224.4769 0.3377990
224.9590 0.8918230
225.4411 1.496468
225.9232 1.753075
226.4054 1.330521
226.8875 0.3204500
227.3696 0.2157290
227.8517 0.2151790
228.3338 0.6252440
228.8159 0.9145970
229.2981 1.028770
229.7802 0.8421400
230.2623 0.2248540
230.7444 0.7409290
231.2265 1.094749
231.7086 0.2468410
232.1908 0.5145870
232.6729 0.8670270
233.1550 0.8993000
233.6371 0.8088760
234.1192 0.7016450
234.6013 0.5852430
235.0835 0.5228270
235.5656 0.5283660
236.0477 0.5588990
236.5298 0.5742950
237.0119 0.6040730
237.4940 0.7424090
237.9762 1.075417
238.4583 1.522171
238.9404 1.695885
239.4225 1.293297
239.9046 1.006409
240.3867 1.128403
240.8689 1.549446
241.3510 2.025116
241.8331 2.472092
242.3152 2.850609
242.7973 3.067642
243.2794 3.184967
243.7616 3.064133
244.2437 2.451630
244.7258 1.550354
245.2079 1.067017
245.6900 1.462784
246.1721 2.247017
246.6543 2.377586
247.1364 1.630600
247.6185 0.9178240
248.1006 0.7205120
248.5827 0.9393920
249.0648 1.223846
249.5470 1.479614
250.0291 1.728798
250.5112 2.120941
250.9933 2.756248
251.4754 2.987732
251.9576 2.052979
252.4397 0.2804570
252.9218 0.8626560
253.4039 0.7858960
253.8860 0.1526030
254.3681 0.3073880
254.8503 0.5969240
255.3324 0.8239360
255.8145 1.023796
256.2966 1.205879
256.7787 1.446655
257.2608 1.890030
257.7430 2.207726
258.2251 2.081261
258.7072 1.571304
259.1893 1.077507
259.6714 0.9030990
260.1535 0.9857480
260.6357 0.9235990
261.1178 0.5258030
261.5999 0.1854710
262.0820 0.2331390
262.5641 0.5594480
263.0462 0.8182070
263.5284 0.6816940
264.0105 0.2461850
264.4926 0.1077270
264.9747 0.4582750
265.4568 0.8475950
265.9389 1.111916
266.4211 1.248734
266.9032 1.245049
267.3853 1.027000
267.8674 0.6665120
268.3495 0.5074310
268.8316 0.7720410
269.3138 0.8934020
269.7959 0.5634920
270.2780 0.8071744
270.7601 0.5052340
271.2422 0.8158190
271.7243 0.9273220
272.2065 0.7655640
272.6886 0.7923128
273.1707 0.5022740
273.6528 0.5084690
274.1349 0.2805860
274.6170 0.1730580
275.0992 0.3586350
275.5813 0.6886670
276.0634 0.7874830
276.5455 0.5510330
277.0276 0.2632060
277.5097 0.2696380
277.9919 0.7002260
278.4740 0.6162340
278.9561 1.116321
279.4382 1.155457
279.9203 1.822861
280.4024 2.125664
280.8846 2.009232
281.3667 0.9640660
281.8488 0.1109090
282.3309 0.4624860
282.8130 5.3993002E-02
283.2951 0.9207840
283.7773 1.354622
284.2594 1.093033
284.7415 1.043564
285.2236 1.400314
285.7057 1.826363
286.1878 2.080406
286.6700 2.129181
287.1521 2.081467
287.6342 2.047424
288.1163 2.007561
288.5984 1.978691
289.0805 1.965042
289.5627 2.090851
290.0448 2.362442
290.5269 2.746948
291.0090 3.243874
291.4911 3.906242
291.9732 4.778755
292.4554 5.222069
292.9375 4.845711
293.4196 4.438187
293.9017 4.115456
294.3838 3.961090
294.8659 4.110252
295.3481 4.695389
295.8302 5.672874
296.3123 6.421494
296.7944 6.742241
297.2765 7.035606
297.7586 7.365410
298.2408 7.717270
298.7229 8.056923
299.2050 8.364212
299.6871 8.646439
300.1692 8.929001
300.6513 9.185043
301.1335 9.476028
301.6156 9.983955
302.0977 10.45605
302.5798 10.50117
303.0619 9.979904
303.5440 9.274857
304.0262 9.216362
304.5083 10.46116
304.9904 11.39737
305.4725 12.07066
305.9546 12.41672
306.4367 12.23666
306.9189 11.54729
307.4010 10.72909
307.8831 10.31908
308.3652 10.46923
308.8473 10.66627
309.3294 10.94591
309.8116 11.23560
310.2937 11.46944
310.7758 11.59544
311.2579 11.75718
311.7400 12.07659
312.2221 12.56953
312.7043 12.92753
313.1864 13.08950
313.6685 13.19878
314.1506 13.18571
314.6327 13.15753
315.1148 13.35661
315.5970 13.98405
316.0791 15.00095
316.5612 15.86837
317.0433 16.06362
317.5254 16.69871
318.0075 18.34728
318.4897 20.51519
318.9718 22.47992
319.4539 23.86975
319.9360 24.80394
320.4181 25.67160
320.9002 26.54277
321.3824 27.22513
321.8645 27.59083
322.3466 27.82251
322.8287 28.12656
323.3108 28.56042
323.7929 28.99786
324.2751 29.17493
324.7572 28.66339
325.2393 28.75515
325.7214 30.00851
326.2035 31.36789
326.6856 31.98956
327.1678 31.85513
327.6499 31.66941
328.1320 32.26783
328.6141 33.90720
329.0962 34.88789
329.5783 34.99930
330.0605 34.79555
330.5426 34.38681
331.0247 33.83883
331.5068 33.30701
331.9889 32.89993
332.4710 32.61263
332.9532 32.31982
333.4353 32.03032
333.9174 31.72198
334.3995 31.48422
334.8816 31.20302
335.3637 30.70084
335.8459 29.88616
336.3280 28.84190
336.8101 27.77438
337.2922 26.71518
337.7743 25.46921
338.2564 23.89596
338.7386 22.21336
339.2206 20.65515
339.7028 19.26174
340.1849 17.85471
340.6670 16.21805
341.1491 14.09017
341.6312 12.19869
342.1133 10.39014
342.5955 8.914368
343.0776 8.007111
343.5597 7.610626
344.0418 7.454773
344.5239 7.269112
345.0060 7.016212
345.4882 6.741096
345.9703 6.309113
346.4524 6.031654
346.9345 5.956375
347.4166 6.098312
347.8987 6.489601
348.3809 7.199150
348.8630 8.085617
349.3451 8.504913
349.8272 7.888130
350.3093 7.704391
350.7914 8.431419
351.2736 9.573463
351.7557 10.71681
352.2378 11.71452
352.7199 12.49583
353.2020 12.82574
353.6841 12.41509
354.1663 12.44376
354.6484 13.35338
355.1305 14.48553
355.6126 15.63006
356.0947 16.68393
356.5768 17.44582
357.0590 17.58803
357.5411 17.07702
358.0232 16.82510
358.5053 17.08004
358.9874 17.33452
359.4695 17.31828
359.9517 17.14430
360.4338 17.05962
360.9159 17.22523
361.3980 17.57014
361.8801 17.83665
362.3622 17.86803
362.8444 18.17812
363.3265 19.32655
363.8086 20.65681
364.2907 21.46378
364.7728 21.50832
365.2549 21.16322
365.7371 20.89024
366.2192 20.70654
366.7013 20.42780
367.1834 20.08743
367.6655 19.55710
368.1476 18.61246
368.6298 17.28326
369.1119 16.07762
369.5940 15.40404
370.0761 15.17820
370.5582 15.04752
371.0403 15.11195
371.5225 15.02964
372.0046 14.46304
372.4867 13.58578
372.9688 12.78491
373.4509 12.29971
373.9330 11.91824
374.4152 11.31758
374.8973 10.48117
375.3794 9.572464
375.8615 8.519737
376.3436 7.526421
376.8257 6.961792
377.3079 7.068306
377.7900 7.075096
378.2721 6.147797
378.7542 4.561081
379.2363 3.583206
379.7184 3.748482
380.2006 4.341179
380.6827 4.426788
381.1648 4.021935
381.6469 3.664200
382.1290 3.659233
382.6111 3.744934
383.0933 3.484497
383.5754 2.809853
384.0575 2.150406
384.5396 1.880524
385.0217 1.994987
385.5038 1.976555
385.9860 1.730804
386.4681 1.376778
386.9502 0.9139940
387.4323 0.3979420
387.9144 2.2652000E-02
388.3965 -4.2359862E-02
388.8787 0.4184800
389.3608 0.2077480
389.8429 0.5721740
390.3250 1.148216
390.8071 1.307030
391.2892 1.202515
391.7714 0.9462510
392.2535 0.5768050
392.7356 0.2355120
393.2177 7.6195002E-02
393.6998 0.1118930
394.1819 0.3535920
394.6641 1.048523
395.1462 1.709549
395.6283 2.178467
396.1104 2.389732
396.5925 2.171516
397.0746 1.350159
397.5568 1.322281
398.0389 0.6666950
398.5210 0.5818020
399.0031 0.4115680
399.4852 5.7762001E-02
399.9673 0.2611540
400.4495 0.2352140
400.9316 0.2072300
401.4137 0.7586360
401.8958 0.9252240
402.3779 0.5054470
402.8600 0.2429810
403.3422 0.4160460
403.8243 0.4691700
404.3064 0.8199149
404.7885 0.8391720
405.2706 1.644318
405.7527 2.095604
406.2349 2.241104
406.7170 2.246101
407.1991 2.075233
407.6812 1.847298
408.1633 1.525551
408.6454 1.193367
409.1276 0.9644320
409.6097 0.8805240
410.0918 0.8729400
410.5739 0.8394780
411.0560 0.7186430
411.5381 0.7319110
412.0203 1.037262
412.5024 1.385864
412.9845 1.682251
413.4666 1.904724
413.9487 2.015724
414.4308 1.922806
414.9130 1.689026
415.3951 1.562645
415.8772 1.576622
416.3593 1.610130
416.8414 1.621338
417.3235 1.604454
417.8057 1.548965
418.2878 1.460884
418.7699 1.319923
419.2520 0.9832610
419.7341 0.5040660
420.2162 0.4420320
420.6984 1.181717
421.1805 2.133720
421.6626 2.521873
422.1447 2.360397
422.6268 2.132484
423.1089 2.002335
423.5911 1.912437
424.0732 1.809143
424.5553 1.697350
425.0374 1.473564
425.5195 1.000656
426.0016 0.3566280
426.4838 4.1816998E-02
426.9659 0.3117600
427.4480 0.6293410
427.9301 0.7674560
428.4122 0.7688830
428.8943 0.7913280
429.3765 0.8978580
429.8586 1.002411
430.3407 0.8975140
430.8228 0.3817750
431.3049 0.1227190
431.7870 0.3479310
432.2692 0.6677020
432.7513 0.7972720
433.2334 0.7331920
433.7155 0.6181950
434.1976 0.5578540
434.6797 0.5540540
435.1619 0.6426160
435.6440 0.9677810
436.1261 1.206062
436.6082 1.268211
437.0903 1.236366
437.5724 1.172318
438.0546 1.106850
438.5367 1.037727
439.0188 0.9635700
439.5009 0.8089680
439.9830 0.7874530
440.4651 1.264709
440.9473 1.549980
441.4294 1.129898
441.9115 1.186824
442.3936 0.5264970
442.8757 0.6213000
443.3578 0.2454990
443.8400 1.6998000E-02
444.3221 1.5396000E-02
444.8042 2.7920001E-03
445.2863 8.5845999E-02
445.7684 0.1578670
446.2505 6.8893000E-02
446.7327 0.2194060
447.2148 0.5706180
447.6969 0.9323960
448.1790 1.274666
448.6611 1.327988
449.1432 0.9262920
449.6254 0.4956280
450.1075 0.4110720
450.5896 0.5964580
451.0717 0.8440170
451.5538 1.174301
452.0359 1.479851
452.5181 1.703743
453.0002 1.823380
453.4823 1.714127
453.9644 1.243904
454.4465 0.6134260
454.9286 0.2850110
455.4108 0.3118290
455.8929 0.3735200
456.3750 0.4975510
456.8571 0.6189580
457.3392 0.6565170
457.8214 0.5913160
458.3035 0.5029530
458.7856 0.4554750
459.2677 0.4264910
459.7498 0.3334430
460.2319 0.1420140
460.7141 1.4500000E-04
461.1962 9.3406998E-02
461.6783 0.1185610
462.1604 1.0887000E-02
462.6425 0.2913510
463.1246 0.5801930
463.6068 0.1875080
464.0889 0.7802730
464.5710 1.327927
465.0531 1.477379
465.5352 3.4775000E-02
466.0173 0.6462100
466.4995 0.4335480
466.9816 0.1870040
467.4637 1.087143
467.9458 0.1253200
468.4279 0.7578810
468.9100 0.8047790
469.3922 1.234001
469.8743 0.8333130
470.3564 0.6881560
470.8385 1.371971
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