#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:42:45 +0300 (Thu, 26 Apr 2018) $
#$Revision: 521 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000073.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_1000073
loop_
_publ_author_name
'Mellini, M.'
'Merlino, S.'
_publ_section_title
;
 Versliaite and apuanite: Derivative structures related to schafarzikite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1235
_journal_page_last               1242
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        R060674
_chemical_formula_sum            'As0.4 Fe4.56 O12 S0.84 Sb3.84 Zn0.2'
_chemical_name_mineral           Apuanite
_space_group_IT_number           135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.372
_cell_length_b                   8.372
_cell_length_c                   17.974
_cell_volume                     1259.805
_exptl_crystal_density_diffrn    5.189
_cod_original_cell_volume        1259.804
_cod_original_formula_sum        'Fe4.56 Sb3.84 Zn.2 As.4 S.84 O12'
_cod_database_code               9000738
_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            R060674.rod
_rod_data_source.block           3500000
_rod_database.code               1000073
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 9000738 COD http://www.crystallography.net/cod/9000738.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
115.1836 0.0000000E+00
115.6658 2.0477001E-02
116.1479 0.4452510
116.6300 1.010864
117.1121 1.532654
117.5942 1.938141
118.0763 2.133789
118.5584 1.984680
119.0406 1.886169
119.5227 2.032776
120.0048 2.387207
120.4869 2.750641
120.9690 2.792297
121.4511 2.914612
121.9333 3.809174
122.4154 5.678253
122.8975 8.001770
123.3796 10.53091
123.8617 13.27625
124.3438 15.85638
124.8260 18.38852
125.3081 20.52567
125.7902 21.57388
126.2723 21.06067
126.7544 19.68182
127.2365 18.98502
127.7187 19.43768
128.2008 19.76294
128.6829 19.61118
129.1650 19.33286
129.6471 19.22964
130.1292 19.53964
130.6114 20.23856
131.0935 20.47406
131.5756 19.24719
132.0577 17.47357
132.5398 15.75681
133.0219 14.25705
133.5041 12.87213
133.9862 11.57257
134.4683 10.02426
134.9504 9.145386
135.4325 8.987122
135.9146 8.863037
136.3968 9.003143
136.8789 9.539063
137.3610 10.29047
137.8431 10.93599
138.3252 11.02847
138.8073 10.84151
139.2895 10.63239
139.7716 10.42149
140.2537 10.42366
140.7358 10.89868
141.2179 11.19261
141.7000 10.38808
142.1821 8.618423
142.6643 6.813248
143.1464 5.314743
143.6285 4.110031
144.1106 3.125534
144.5927 2.479965
145.0748 1.965515
145.5570 1.333572
146.0391 0.5946040
146.5212 2.9129000E-02
147.0033 0.3735660
147.4854 0.4448240
147.9675 0.2941130
148.4497 0.4436950
148.9318 1.167007
149.4139 1.515717
149.8960 1.401215
150.3781 1.017746
150.8602 0.6407320
151.3424 0.2683560
151.8245 0.1430970
152.3066 0.7233890
152.7887 1.249573
153.2708 1.566910
153.7529 1.613495
154.2351 1.440552
154.7172 1.170792
155.1993 0.8605500
155.6814 0.3507540
156.1635 0.7505490
156.6456 1.941635
157.1278 2.577332
157.6099 2.316071
158.0920 1.368973
158.5741 0.6169130
159.0562 3.8330000E-02
159.5383 0.3655700
160.0205 0.6721950
160.5026 0.8083950
160.9847 0.5171810
161.4668 0.4987640
161.9489 1.966812
162.4310 2.690781
162.9131 1.917206
163.3953 1.175323
163.8774 1.506454
164.3595 2.808167
164.8416 4.055771
165.3237 4.491501
165.8058 4.461807
166.2880 4.802261
166.7701 5.889511
167.2522 7.149796
167.7343 7.827621
168.2164 7.769867
168.6985 7.852737
169.1807 8.822388
169.6628 10.18617
170.1449 11.36426
170.6270 12.10582
171.1091 12.54730
171.5912 13.02498
172.0734 13.67004
172.5555 14.08678
173.0376 14.45230
173.5197 14.54968
174.0018 14.65926
174.4839 14.95668
174.9661 15.40176
175.4482 15.76663
175.9303 16.16805
176.4124 16.32631
176.8945 16.12985
177.3766 15.64998
177.8588 14.99213
178.3409 14.18462
178.8230 13.22070
179.3051 12.57643
179.7872 12.43178
180.2693 12.42625
180.7515 12.56364
181.2336 12.76967
181.7157 12.89131
182.1978 12.75792
182.6799 12.30016
183.1620 12.31152
183.6441 13.06442
184.1263 13.92447
184.6084 14.61398
185.0905 15.11748
185.5726 15.53383
186.0547 15.92276
186.5368 16.27301
187.0190 16.84383
187.5011 17.79668
187.9832 18.84489
188.4653 19.78362
188.9474 20.58910
189.4296 21.36340
189.9117 22.24599
190.3938 23.22470
190.8759 24.00415
191.3580 24.35680
191.8401 24.58170
192.3223 25.07851
192.8044 25.95206
193.2865 26.81587
193.7686 27.21770
194.2507 27.28799
194.7328 27.37950
195.2150 27.64168
195.6971 27.98611
196.1792 28.24168
196.6613 28.38380
197.1434 28.45828
197.6255 28.40727
198.1077 28.30223
198.5898 28.35483
199.0719 28.73662
199.5540 29.37663
200.0361 30.00064
200.5182 30.69727
201.0004 31.21280
201.4825 31.30173
201.9646 31.11166
202.4467 31.01753
202.9288 31.32872
203.4109 32.01009
203.8930 32.55635
204.3752 32.95258
204.8573 33.19766
205.3394 33.21416
205.8215 33.10240
206.3036 33.08630
206.7857 33.33575
207.2679 33.85898
207.7500 34.23862
208.2321 34.43863
208.7142 34.50319
209.1963 34.28983
209.6784 33.90712
210.1606 33.62080
210.6427 33.70287
211.1248 34.21698
211.6069 34.68954
212.0890 35.16048
212.5711 35.59103
213.0533 35.95045
213.5354 36.26889
214.0175 36.59894
214.4996 36.93036
214.9817 37.22784
215.4638 37.65991
215.9460 38.20555
216.4281 38.87000
216.9102 39.55879
217.3923 40.27995
217.8744 41.20436
218.3565 42.57323
218.8387 44.50940
219.3208 46.52110
219.8029 48.68602
220.2850 50.72621
220.7671 52.53322
221.2492 54.09341
221.7314 55.34831
222.2135 56.13832
222.6956 56.43079
223.1777 57.15230
223.6598 58.58186
224.1419 60.21471
224.6240 61.66368
225.1062 62.91649
225.5883 64.24684
226.0704 66.06462
226.5525 68.21426
227.0346 69.65193
227.5167 69.77551
227.9989 69.49281
228.4810 69.67090
228.9631 70.36407
229.4452 71.02846
229.9273 71.37305
230.4094 71.36771
230.8916 70.93021
231.3737 69.77573
231.8558 68.32770
232.3379 67.10683
232.8200 66.16502
233.3021 65.09621
233.7843 63.50687
234.2664 61.62842
234.7485 59.79558
235.2306 58.08067
235.7127 56.46269
236.1948 54.90199
236.6770 53.38487
237.1591 51.92189
237.6412 50.58969
238.1233 49.29018
238.6054 47.88025
239.0875 46.26372
239.5697 44.59470
240.0518 43.15372
240.5339 42.00258
241.0160 40.85640
241.4981 39.45291
241.9802 38.06380
242.4624 36.99471
242.9445 36.39363
243.4266 36.01851
243.9087 35.48508
244.3908 34.79697
244.8729 33.93581
245.3550 32.70482
245.8372 31.41321
246.3193 30.31740
246.8014 29.50237
247.2835 28.89865
247.7656 28.44768
248.2477 28.36201
248.7299 27.89708
249.2120 26.68823
249.6941 25.24544
250.1762 23.95155
250.6583 22.92067
251.1404 22.01347
251.6226 20.97241
252.1047 19.70798
252.5868 18.53067
253.0689 17.49272
253.5510 16.52097
254.0331 15.54608
254.5153 14.55846
254.9974 13.60707
255.4795 12.75919
255.9616 12.04013
256.4437 11.39166
256.9258 10.88310
257.4080 10.38110
257.8901 9.784683
258.3722 9.083084
258.8543 8.335754
259.3364 7.587280
259.8185 6.683563
260.3007 6.208557
260.7828 6.458008
261.2649 6.806641
261.7470 6.909607
262.2291 6.711563
262.7112 6.333183
263.1934 5.902679
263.6755 5.416801
264.1576 4.878357
264.6397 4.230156
265.1218 3.589027
265.6039 2.981819
266.0861 2.435486
266.5682 2.007988
267.0503 1.774536
267.5324 1.781464
268.0145 1.697792
268.4966 1.526360
268.9788 1.284477
269.4609 0.9329300
269.9430 0.5063480
270.4251 0.1040800
270.9072 0.1933140
271.3893 0.3793030
271.8715 0.5414200
272.3536 0.6462020
272.8357 0.7647930
273.3178 1.034012
273.7999 1.357574
274.2820 1.433197
274.7642 0.9929280
275.2463 0.1146470
275.7284 0.2029570
276.2105 0.5436330
276.6926 1.165848
277.1747 1.189110
277.6568 0.7865140
278.1389 0.3499220
278.6211 7.8093998E-02
279.1032 4.7851998E-02
279.5853 9.2505999E-02
280.0674 3.8185000E-02
280.5495 0.1238100
281.0316 8.7204002E-02
281.5138 2.8853999E-02
281.9959 0.1635740
282.4780 0.3006670
282.9601 0.4127810
283.4422 0.4129030
283.9243 0.1915590
284.4065 7.7826999E-02
284.8886 0.1956020
285.3707 0.4462590
285.8528 0.7014770
286.3349 0.9243700
286.8170 1.108238
287.2992 1.225281
287.7813 1.245079
288.2634 1.308472
288.7455 1.487717
289.2276 1.702362
289.7097 1.800209
290.1919 1.737976
290.6740 1.746758
291.1561 2.228683
291.6382 3.300110
292.1203 3.883072
292.6024 3.380638
293.0846 2.617279
293.5667 2.428062
294.0488 2.914764
294.5309 3.610283
295.0130 4.133255
295.4951 4.470711
295.9773 4.725624
296.4594 4.868256
296.9415 4.948357
297.4236 4.967453
297.9057 4.939133
298.3878 4.948891
298.8700 5.033234
299.3521 5.228775
299.8342 5.566162
300.3163 6.355164
300.7984 7.014534
301.2805 7.078926
301.7627 6.663414
302.2448 6.314323
302.7269 6.319023
303.2090 6.586998
303.6911 6.818832
304.1732 6.987000
304.6554 7.189140
305.1375 7.475113
305.6196 7.816628
306.1017 8.155548
306.5838 8.471657
307.0659 8.779816
307.5481 9.093079
308.0302 9.380150
308.5123 9.683258
308.9944 10.16338
309.4765 10.68869
309.9586 10.99478
310.4408 10.98720
310.9229 10.86665
311.4050 10.89603
311.8871 11.07188
312.3692 11.25643
312.8513 11.40492
313.3335 11.55785
313.8156 11.82298
314.2977 12.22482
314.7798 12.51041
315.2619 12.31634
315.7440 11.69559
316.2262 11.47674
316.7083 12.09569
317.1904 12.87575
317.6725 13.23988
318.1546 13.19474
318.6367 13.10351
319.1188 13.18456
319.6010 13.42149
320.0831 13.67863
320.5652 14.09283
321.0473 14.39205
321.5294 14.32219
322.0115 13.98629
322.4937 13.75194
322.9758 13.80682
323.4579 14.05272
323.9400 14.26466
324.4221 14.52898
324.9042 14.60305
325.3864 14.24469
325.8685 13.66063
326.3506 13.23048
326.8327 13.07288
327.3148 13.09973
327.7969 13.19683
328.2791 13.35888
328.7612 13.58174
329.2433 14.06895
329.7254 14.52201
330.2075 14.49146
330.6896 13.89825
331.1718 13.23753
331.6539 13.04920
332.1360 13.39702
332.6181 13.53896
333.1002 13.33361
333.5823 12.99620
334.0645 12.59714
334.5466 12.16437
335.0287 11.88042
335.5108 11.93143
335.9929 12.24717
336.4750 12.30867
336.9572 11.94363
337.4393 11.51957
337.9214 11.16008
338.4035 10.85461
338.8856 10.59960
339.3677 10.40820
339.8499 10.23068
340.3320 9.938164
340.8141 9.549873
341.2962 9.039024
341.7783 8.140793
342.2604 7.207848
342.7426 6.818459
343.2247 7.140976
343.7068 7.649521
344.1889 7.602585
344.6710 6.740097
345.1531 6.018097
345.6353 5.443176
346.1174 5.015022
346.5995 4.818825
347.0816 4.819733
347.5637 4.790855
348.0458 4.520012
348.5280 3.990211
349.0101 3.548836
349.4922 3.151207
349.9743 2.871750
350.4564 2.815262
350.9385 2.903023
351.4207 2.982353
351.9028 2.977386
352.3849 2.875610
352.8670 2.605888
353.3491 1.850197
353.8312 1.320518
354.3134 1.333717
354.7955 1.526726
355.2776 1.423576
355.7597 0.8674160
356.2418 0.1455150
356.7239 0.2539750
357.2061 0.1277770
357.6882 6.9991998E-02
358.1703 0.1472320
358.6524 0.2342910
359.1345 0.2441480
359.6166 0.1755370
360.0987 7.3448002E-02
360.5808 3.6171000E-02
361.0630 0.1722560
361.5451 0.1315160
362.0272 0.2945250
362.5093 0.6704250
362.9914 0.8432460
363.4735 0.8603290
363.9557 0.8458790
364.4378 0.8864440
364.9199 0.9224170
365.4020 0.6776120
365.8841 0.2870710
366.3662 0.9216460
366.8484 0.9431460
367.3305 0.6779170
367.8126 0.3799900
368.2947 0.1499180
368.7768 3.9650001E-02
369.2589 0.1725010
369.7411 0.6938550
370.2232 1.060516
370.7053 1.247467
371.1874 1.294334
371.6695 1.099739
372.1516 0.7441860
372.6338 0.4843140
373.1159 0.5390700
373.5980 0.9032520
374.0801 1.457138
374.5622 2.513199
375.0443 3.366058
375.5265 3.618591
376.0086 3.567047
376.4907 3.676056
376.9728 4.192558
377.4549 4.946487
377.9370 5.583260
378.4192 6.107437
378.9013 6.496552
379.3834 6.608498
379.8655 6.667747
380.3476 6.821365
380.8297 7.100502
381.3119 7.510361
381.7940 8.129959
382.2761 8.953758
382.7582 9.626175
383.2403 10.02596
383.7224 10.34657
384.2046 10.68151
384.6867 11.04531
385.1688 11.49131
385.6509 12.10532
386.1330 12.80842
386.6151 13.42355
387.0973 13.93661
387.5794 14.40533
388.0615 14.84634
388.5436 15.26703
389.0257 15.66540
389.5078 16.00326
389.9900 16.38702
390.4721 17.05104
390.9542 17.92722
391.4363 18.41911
391.9184 18.16406
392.4005 17.64330
392.8827 17.55545
393.3648 17.92670
393.8469 18.27026
394.3290 18.49937
394.8111 18.55121
395.2932 18.24638
395.7754 17.52752
396.2575 16.76582
396.7396 16.30997
397.2217 16.13004
397.7038 15.80814
398.1859 15.20348
398.6681 14.55553
399.1501 13.97191
399.6323 13.46720
400.1144 13.10700
400.5965 12.96568
401.0786 12.92289
401.5607 12.61617
402.0428 11.88411
402.5250 11.21294
403.0071 10.70780
403.4892 10.29568
403.9713 9.935875
404.4534 9.609451
404.9355 9.220581
405.4177 8.626038
405.8998 7.739616
406.3819 7.139091
406.8640 7.017654
407.3461 6.958748
407.8282 6.796982
408.3104 6.527542
408.7925 6.172646
409.2746 5.728996
409.7567 5.238899
410.2388 4.887871
410.7209 4.763870
411.2031 4.680298
411.6852 4.644539
412.1673 4.628281
412.6494 4.647530
413.1315 4.692482
413.6136 4.679779
414.0958 4.463844
414.5779 3.942032
415.0600 3.581245
415.5421 3.485229
416.0242 3.451775
416.5063 3.379509
416.9885 3.315186
417.4706 3.385918
417.9527 3.716682
418.4348 4.222816
418.9169 4.595657
419.3990 4.826302
419.8812 4.859451
420.3633 4.520729
420.8454 4.103882
421.3275 3.902359
421.8096 3.980141
422.2917 4.114136
422.7739 4.107216
423.2560 3.979691
423.7381 3.833275
424.2202 3.577003
424.7023 3.367569
425.1844 3.325172
425.6666 3.421921
426.1487 3.559868
426.6308 3.720070
427.1129 3.891151
427.5950 4.079880
428.0771 4.297302
428.5593 4.420929
429.0414 4.303047
429.5235 4.077492
430.0056 4.047356
430.4877 4.272446
430.9698 4.555817
431.4520 4.920135
431.9341 5.263367
432.4162 5.352737
432.8983 5.111931
433.3804 4.715080
433.8625 4.305931
434.3447 3.865845
434.8268 3.683372
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