#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:28 +0300 (Thu, 26 Apr 2018) $
#$Revision: 577 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000120.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_1000120
loop_
_publ_author_name
'Kampf, A. R.'
'Downs, R. T.'
'Housley, R. M.'
'Jenkins, R. A.'
'Hyrsl, J.'
_publ_section_title
;
 Anorpiment, As2S3, the triclinic dimorph of orpiment
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2857
_journal_page_last               2867
_journal_paper_doi               10.1180/minmag.2011.075.6.2857
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru'
_chemical_formula_sum            'As2 S3'
_chemical_name_mineral           Anorpiment
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.152
_cell_angle_beta                 75.817
_cell_angle_gamma                89.861
_cell_length_a                   5.7577
_cell_length_b                   8.7169
_cell_length_c                   10.2682
_cell_volume                     488.377
_exptl_crystal_density_diffrn    3.346
_cod_database_code               9015549
_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            R110016.rod
_rod_data_source.block           3500000
_rod_database.code               1000120
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 9015549 COD http://www.crystallography.net/cod/9015549.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
93.49817 0.0000000E+00
93.98029 57.74390
94.46240 165.2209
94.94452 305.3359
95.42664 459.7844
95.90874 628.7908
96.39086 812.9614
96.87298 980.3503
97.35509 1092.899
97.83721 1150.621
98.31933 1151.816
98.80145 1102.575
99.28356 1049.159
99.76568 946.5571
100.2478 806.0710
100.7299 656.6123
101.2120 515.3147
101.6941 367.5679
102.1763 243.5454
102.6584 144.7676
103.1405 68.62134
103.6226 13.41895
104.1047 21.71899
104.5868 37.56543
105.0690 40.20483
105.5511 30.25000
106.0332 10.74902
106.5153 18.10205
106.9974 57.52393
107.4795 105.3828
107.9617 159.4880
108.4438 219.5757
108.9259 284.9377
109.4080 353.1301
109.8901 427.6511
110.3722 512.2715
110.8544 604.8018
111.3365 713.7637
111.8186 831.4250
112.3007 965.6335
112.7828 1138.017
113.2649 1359.898
113.7471 1631.384
114.2292 1941.534
114.7113 2301.570
115.1934 2700.132
115.6755 3178.432
116.1576 3706.820
116.6397 4202.850
117.1219 4608.738
117.6040 4980.239
118.0861 5056.682
118.5682 4748.618
119.0503 4276.667
119.5324 3720.610
120.0146 3128.239
120.4967 2536.463
120.9788 2022.526
121.4609 1599.642
121.9430 1250.410
122.4251 999.0055
122.9073 822.9812
123.3894 704.7966
123.8715 639.1548
124.3536 615.5380
124.8357 613.1379
125.3178 631.2939
125.8000 662.1997
126.2821 703.2574
126.7642 754.8141
127.2463 816.2262
127.7284 882.1108
128.2105 964.6362
128.6927 1074.519
129.1748 1207.349
129.6569 1376.496
130.1390 1588.224
130.6211 1838.951
131.1032 2154.229
131.5854 2561.763
132.0675 3036.088
132.5496 3592.443
133.0317 4287.807
133.5138 4999.619
133.9959 5452.805
134.4781 5637.984
134.9602 5525.929
135.4423 5013.839
135.9244 4272.274
136.4065 3508.691
136.8886 2837.696
137.3708 2256.364
137.8529 1782.112
138.3350 1441.012
138.8171 1186.619
139.2992 1041.072
139.7813 978.1259
140.2635 952.6445
140.7456 932.2793
141.2277 921.1831
141.7098 865.8982
142.1919 744.8538
142.6740 608.0903
143.1561 473.6566
143.6383 346.4825
144.1204 231.5405
144.6025 133.6925
145.0846 55.48596
145.5667 5.752441
146.0488 46.82153
146.5310 71.49341
147.0131 81.89587
147.4952 77.63855
147.9773 64.44006
148.4594 47.27917
148.9415 26.68713
149.4237 0.5511470
149.9058 30.16443
150.3879 66.68982
150.8700 111.6537
151.3521 164.6753
151.8342 229.9954
152.3164 306.6104
152.7985 394.4530
153.2806 496.6061
153.7627 616.5051
154.2448 754.5635
154.7269 902.3171
155.2091 1093.025
155.6912 1265.270
156.1733 1396.722
156.6554 1481.925
157.1375 1514.521
157.6196 1478.909
158.1018 1352.244
158.5839 1220.362
159.0660 1075.340
159.5481 935.4260
160.0302 808.6946
160.5123 698.8235
160.9945 609.4180
161.4766 547.7981
161.9587 522.0015
162.4408 513.4487
162.9229 526.8617
163.4050 555.3031
163.8871 592.2705
164.3693 634.4592
164.8514 683.4957
165.3335 745.4976
165.8156 823.3346
166.2977 909.9355
166.7798 1007.027
167.2620 1112.445
167.7441 1225.639
168.2262 1348.793
168.7083 1473.978
169.1904 1578.050
169.6725 1664.903
170.1547 1731.330
170.6368 1763.116
171.1189 1769.945
171.6010 1781.388
172.0831 1800.698
172.5652 1843.941
173.0474 1932.972
173.5295 2079.143
174.0116 2248.263
174.4937 2449.396
174.9758 2682.887
175.4579 2830.703
175.9401 2815.808
176.4222 2691.964
176.9043 2503.864
177.3864 2242.535
177.8685 1956.111
178.3506 1695.360
178.8328 1455.660
179.3149 1259.856
179.7970 1118.461
180.2791 1019.832
180.7612 961.2000
181.2433 942.3225
181.7255 958.2883
182.2076 1000.150
182.6897 1074.766
183.1718 1166.166
183.6539 1280.924
184.1360 1403.292
184.6181 1526.122
185.1003 1648.573
185.5824 1754.524
186.0645 1784.595
186.5466 1675.311
187.0287 1559.350
187.5108 1439.716
187.9930 1327.991
188.4751 1234.947
188.9572 1166.682
189.4393 1123.522
189.9214 1110.380
190.4035 1150.399
190.8857 1194.618
191.3678 1253.969
191.8499 1309.993
192.3320 1333.498
192.8141 1306.304
193.2962 1231.896
193.7784 1132.174
194.2605 991.1924
194.7426 848.7407
195.2247 707.9607
195.7068 574.4860
196.1889 462.0485
196.6711 380.6457
197.1532 328.1455
197.6353 283.8875
198.1174 249.0446
198.5995 220.0381
199.0816 194.7382
199.5638 173.2644
200.0459 157.0566
200.5280 148.1537
201.0101 145.2334
201.4922 142.9639
201.9743 141.6478
202.4565 140.0125
202.9386 137.5955
203.4207 133.2015
203.9028 123.7201
204.3849 106.2560
204.8670 85.44867
205.3492 67.74036
205.8313 55.49390
206.3134 46.47827
206.7955 38.03430
207.2776 30.32971
207.7597 24.11072
208.2419 19.61938
208.7240 16.14270
209.2061 12.92822
209.6882 9.505249
210.1703 6.413330
210.6524 5.363159
211.1346 7.593506
211.6167 7.907349
212.0988 1.666138
212.5809 5.457275
213.0630 7.164612
213.5451 0.4589840
214.0273 9.888916
214.5094 13.06561
214.9915 3.298279
215.4736 2.764893
215.9557 0.8313600
216.4378 7.874756
216.9200 12.06995
217.4021 10.48138
217.8842 4.917175
218.3663 1.002563
218.8484 5.9386998E-02
219.3305 0.6455690
219.8127 1.102417
220.2948 1.900391
220.7769 3.875977
221.2590 7.303711
221.7411 11.13928
222.2232 12.70239
222.7054 9.649292
223.1875 7.013611
223.6696 5.486938
224.1517 4.299072
224.6338 2.526489
225.1159 0.2545780
225.5980 3.661072
226.0802 6.589172
226.5623 6.553406
227.0444 9.058228
227.5265 16.82568
228.0086 26.71655
228.4907 34.31293
228.9729 37.66455
229.4550 38.65582
229.9371 42.18134
230.4192 50.48737
230.9013 57.66357
231.3834 63.06384
231.8656 66.72168
232.3477 68.26550
232.8298 67.32690
233.3119 65.12610
233.7940 64.31567
234.2761 65.06873
234.7583 66.31189
235.2404 68.41846
235.7225 70.74304
236.2046 71.91370
236.6867 71.17590
237.1688 69.91992
237.6510 71.21387
238.1331 75.68628
238.6152 78.56580
239.0973 77.83789
239.5794 74.41272
240.0615 69.99377
240.5437 64.69019
241.0258 59.18835
241.5079 54.14246
241.9900 49.44861
242.4721 45.78259
242.9542 43.52515
243.4364 42.52283
243.9185 42.36194
244.4006 42.89514
244.8827 44.47351
245.3648 48.45142
245.8469 54.39038
246.3290 58.43237
246.8112 56.80310
247.2933 51.63965
247.7754 49.70117
248.2575 52.84839
248.7396 57.74951
249.2217 61.35669
249.7039 64.23132
250.1860 68.39600
250.6681 76.80725
251.1502 87.68640
251.6323 94.43005
252.1144 95.58081
252.5966 94.11719
253.0787 91.14221
253.5608 87.23999
254.0429 83.75439
254.5250 82.00647
255.0071 81.30334
255.4893 78.91162
255.9714 74.42200
256.4535 68.43152
256.9356 59.53381
257.4177 49.80847
257.8998 42.82544
258.3820 41.44568
258.8641 43.90991
259.3462 43.91187
259.8283 40.89001
260.3104 36.04224
260.7925 28.65857
261.2747 20.34570
261.7568 13.10388
262.2389 7.813354
262.7210 4.160034
263.2031 1.591064
263.6852 1.015381
264.1674 0.1528320
264.6495 1.194824
265.1316 3.276855
265.6137 6.534546
266.0958 11.18628
266.5779 16.56201
267.0601 21.30579
267.5422 26.29224
268.0243 28.83557
268.5064 25.84949
268.9885 21.85181
269.4706 21.71277
269.9528 27.32983
270.4349 35.74109
270.9170 40.38782
271.3991 37.67712
271.8812 36.57239
272.3633 39.36353
272.8455 43.83362
273.3276 48.49146
273.8097 52.11609
274.2918 53.82568
274.7739 52.40332
275.2560 46.12598
275.7382 41.33594
276.2202 39.88599
276.7024 38.01697
277.1845 32.41040
277.6666 23.15552
278.1487 13.81372
278.6308 9.070557
279.1129 11.12512
279.5951 10.64294
280.0772 7.273193
280.5593 1.697021
281.0414 6.579712
281.5235 16.82898
282.0056 27.16711
282.4878 35.78296
282.9699 42.54224
283.4520 49.58789
283.9341 56.95032
284.4162 64.38684
284.8983 72.15613
285.3805 80.37329
285.8626 88.85327
286.3447 97.38953
286.8268 105.7554
287.3089 112.9117
287.7910 116.4615
288.2732 121.4861
288.7553 129.1943
289.2374 139.4259
289.7195 151.9984
290.2016 167.0392
290.6837 183.7750
291.1659 198.3640
291.6480 207.4471
292.1301 218.2096
292.6122 231.9211
293.0943 247.9918
293.5764 265.4672
294.0586 283.9974
294.5407 303.7523
295.0228 325.3319
295.5049 347.3260
295.9870 373.2555
296.4691 401.9688
296.9513 435.2054
297.4334 473.8605
297.9155 518.2053
298.3976 570.2848
298.8797 633.2793
299.3618 708.2622
299.8440 795.4756
300.3261 888.3813
300.8082 996.4062
301.2903 1127.497
301.7724 1282.922
302.2545 1461.543
302.7367 1664.781
303.2188 1898.349
303.7009 2136.638
304.1830 2383.970
304.6651 2632.992
305.1472 2879.708
305.6294 3123.899
306.1115 3367.064
306.5936 3609.669
307.0757 3852.441
307.5578 4098.305
308.0399 4344.312
308.5221 4595.840
309.0042 4843.725
309.4863 5097.755
309.9684 5372.533
310.4505 5671.615
310.9326 6002.746
311.4148 6416.869
311.8969 6882.699
312.3790 7452.974
312.8611 8121.067
313.3432 8904.947
313.8253 9837.651
314.3075 10931.10
314.7896 12179.09
315.2717 13584.70
315.7538 15264.31
316.2359 16942.05
316.7180 18630.64
317.2001 20292.87
317.6823 21881.12
318.1644 23389.27
318.6465 24842.50
319.1286 26292.76
319.6107 27784.68
320.0928 29118.54
320.5750 30347.69
321.0571 31394.36
321.5392 32166.68
322.0213 32669.47
322.5034 33027.28
322.9855 33365.48
323.4677 33703.20
323.9498 33839.22
324.4319 33693.62
324.9140 33455.56
325.3961 33070.38
325.8782 32648.86
326.3604 32419.04
326.8425 32503.50
327.3246 32930.21
327.8067 34068.49
328.2888 35919.85
328.7709 38357.86
329.2531 41467.65
329.7352 45122.70
330.2173 49241.89
330.6994 53814.34
331.1815 58594.94
331.6636 62954.91
332.1458 68294.51
332.6279 71321.87
333.1100 71792.80
333.5921 69973.02
334.0742 65578.66
334.5563 58705.78
335.0385 50534.24
335.5206 42729.56
336.0027 35052.98
336.4848 28480.77
336.9669 22965.60
337.4490 18387.08
337.9312 14785.54
338.4133 12066.06
338.8954 10012.47
339.3775 8461.272
339.8596 7438.516
340.3417 6567.671
340.8239 5885.636
341.3060 5294.123
341.7881 4778.821
342.2702 4326.267
342.7523 3922.440
343.2344 3559.881
343.7166 3255.064
344.1987 2974.956
344.6808 2786.363
345.1629 2634.224
345.6450 2522.379
346.1271 2444.064
346.6093 2395.862
347.0914 2376.061
347.5735 2378.275
348.0556 2393.466
348.5377 2440.322
349.0198 2464.850
349.5020 2480.690
349.9841 2468.775
350.4662 2412.806
350.9483 2313.403
351.4304 2182.843
351.9125 2028.517
352.3947 1842.403
352.8768 1686.446
353.3589 1553.849
353.8410 1458.152
354.3231 1403.875
354.8052 1390.972
355.2874 1420.228
355.7695 1494.864
356.2516 1609.799
356.7337 1739.602
357.2158 1907.972
357.6979 2057.888
358.1800 2191.627
358.6621 2298.518
359.1443 2363.034
359.6264 2379.619
360.1085 2363.248
360.5906 2336.290
361.0727 2288.317
361.5548 2258.325
362.0370 2243.116
362.5191 2250.384
363.0012 2284.953
363.4833 2347.681
363.9654 2436.979
364.4475 2552.098
364.9297 2693.388
365.4118 2857.446
365.8939 3042.277
366.3760 3255.450
366.8581 3486.727
367.3402 3746.374
367.8224 4051.624
368.3045 4401.901
368.7866 4810.358
369.2687 5318.369
369.7508 5929.168
370.2329 6638.608
370.7151 7466.078
371.1972 8372.686
371.6793 9363.320
372.1614 10443.67
372.6435 11518.69
373.1256 12565.97
373.6078 13613.30
374.0899 14222.49
374.5720 14256.68
375.0541 13807.15
375.5362 12849.19
376.0183 11429.39
376.5005 9916.021
376.9826 8441.379
377.4647 7047.642
377.9468 5879.018
378.4289 4953.415
378.9110 4240.794
379.3932 3770.122
379.8753 3483.150
380.3574 3295.781
380.8395 3203.453
381.3216 3179.503
381.8037 3195.507
382.2859 3251.320
382.7680 3347.352
383.2501 3485.641
383.7322 3668.154
384.2143 3889.766
384.6964 4151.639
385.1786 4444.604
385.6607 4795.516
386.1428 5172.112
386.6249 5520.929
387.1070 5864.312
387.5891 6075.443
388.0713 5964.688
388.5534 5563.291
389.0355 5043.187
389.5176 4344.269
389.9997 3600.661
390.4818 2925.788
390.9640 2327.060
391.4461 1811.317
391.9282 1385.440
392.4103 1051.429
392.8924 785.8327
393.3745 606.6216
393.8567 468.7159
394.3388 366.4362
394.8209 292.1324
395.3030 234.0868
395.7851 187.9708
396.2672 152.0356
396.7494 123.3557
397.2315 105.0048
397.7136 87.45203
398.1957 68.92059
398.6778 51.75537
399.1599 37.80261
399.6420 27.22418
400.1241 19.30658
400.6063 13.75757
401.0884 10.64020
401.5705 6.630920
402.0526 0.9071660
402.5347 4.769104
403.0168 10.22290
403.4990 15.17523
403.9811 19.39337
404.4632 22.76276
404.9453 24.96912
405.4274 24.87482
405.9095 19.13782
406.3917 16.62738
406.8738 18.98499
407.3559 23.39600
407.8380 29.11230
408.3201 35.21881
408.8022 39.59375
409.2844 39.68994
409.7665 35.12799
410.2486 32.31134
410.7307 32.82483
411.2128 33.49927
411.6949 33.32635
412.1771 32.70654
412.6592 32.57666
413.1413 33.57831
413.6234 34.73773
414.1055 33.53656
414.5876 28.83655
415.0698 25.34198
415.5519 26.09100
416.0340 27.07031
416.5161 24.81647
416.9982 19.19489
417.4803 14.02948
417.9625 13.45306
418.4446 16.57599
418.9267 17.42621
419.4088 15.17249
419.8909 11.29419
420.3730 4.893372
420.8552 2.255188
421.3373 6.224609
421.8194 4.578125
422.3015 0.3708500
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