#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:48 +0300 (Thu, 26 Apr 2018) $
#$Revision: 553 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000100.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_1000100
loop_
_publ_author_name
'Bonazzi, P.'
'Keutsch, F. N.'
'Bindi, L.'
_publ_section_title
;
 Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the
 Uchucchacua polymetallic deposit, Lima Department, Peru: Description and
 crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.2138/am.2012.4004
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Uchucchacua polymetallic deposit, Lima Department, Peru'
_chemical_formula_sum            'Ag As Mn S3'
_chemical_name_mineral           Manganoquadratite
_space_group_IT_number           95
_symmetry_space_group_name_Hall  'P 4cw 2c'
_symmetry_space_group_name_H-M   'P 43 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4496
_cell_length_b                   5.4496
_cell_length_c                   32.949
_cell_volume                     978.524
_exptl_crystal_density_diffrn    4.533
_cod_original_formula_sum        'Ag Mn As S3'
_cod_database_code               9014926
_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            R090021.rod
_rod_data_source.block           3500000
_rod_database.code               1000100
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 9014926 COD http://www.crystallography.net/cod/9014926.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
103.4656 0.0000000E+00
103.9478 1.588501
104.4299 2.891602
104.9120 4.272339
105.3941 4.610718
105.8762 4.967041
106.3583 8.809509
106.8405 11.03033
107.3226 11.43927
107.8047 8.844910
108.2868 3.523865
108.7689 0.5726320
109.2510 2.3193000E-02
109.7332 5.227722
110.2153 10.36816
110.6974 16.47699
111.1795 22.32135
111.6616 25.50201
112.1437 24.85626
112.6259 22.36841
113.1080 19.65076
113.5901 17.08588
114.0722 15.21216
114.5543 16.15649
115.0364 19.92322
115.5185 23.56549
116.0007 27.31683
116.4828 30.31610
116.9649 31.75525
117.4470 31.67767
117.9291 30.86005
118.4112 30.18652
118.8934 29.30273
119.3755 29.48450
119.8576 32.15833
120.3397 35.71820
120.8218 38.94128
121.3039 40.45844
121.7861 40.00330
122.2682 37.78058
122.7503 29.52710
123.2324 25.15808
123.7145 26.81573
124.1966 32.08459
124.6788 37.66766
125.1609 40.34552
125.6430 40.53027
126.1251 40.88428
126.6072 42.26385
127.0893 43.20996
127.5715 43.11682
128.0536 42.26239
128.5357 41.37372
129.0178 41.99799
129.4999 43.30200
129.9821 43.64703
130.4642 43.50311
130.9463 42.64539
131.4284 42.15594
131.9105 42.49261
132.3926 42.64789
132.8748 43.19696
133.3569 44.40350
133.8390 46.16754
134.3211 48.41272
134.8032 50.59479
135.2853 51.47034
135.7674 51.02527
136.2496 49.97351
136.7317 47.03308
137.2138 42.90558
137.6959 39.91754
138.1780 39.43115
138.6601 41.98663
139.1423 44.61279
139.6244 48.79761
140.1065 52.29730
140.5886 53.07458
141.0707 51.02985
141.5528 47.81348
142.0350 44.75970
142.5171 41.32983
142.9992 40.06531
143.4813 43.25220
143.9634 46.53119
144.4455 47.13422
144.9277 45.09796
145.4098 43.18628
145.8919 44.34418
146.3740 50.32745
146.8561 55.31030
147.3382 60.15387
147.8204 63.86908
148.3025 65.98181
148.7846 66.44232
149.2667 66.21503
149.7488 68.12836
150.2309 72.00995
150.7131 74.36066
151.1952 73.20740
151.6773 70.43304
152.1594 68.85748
152.6415 69.38873
153.1236 69.78601
153.6058 68.93359
154.0879 66.17542
154.5700 63.59009
155.0521 64.87189
155.5342 69.89990
156.0163 72.89453
156.4985 69.03296
156.9806 63.20612
157.4627 60.10553
157.9448 61.58978
158.4269 64.92072
158.9090 65.20001
159.3912 60.24750
159.8733 56.49402
160.3554 57.31415
160.8375 59.58246
161.3196 62.28070
161.8017 62.16681
162.2839 59.85596
162.7660 56.95685
163.2481 52.41119
163.7302 48.73669
164.2123 46.40540
164.6944 45.06506
165.1766 44.31812
165.6587 43.94293
166.1408 43.88715
166.6229 43.93085
167.1050 45.39240
167.5871 45.77173
168.0693 43.54749
168.5514 39.80939
169.0335 36.72888
169.5156 35.83380
169.9977 36.95502
170.4798 37.13538
170.9620 35.14343
171.4441 33.53857
171.9262 33.95844
172.4083 36.03320
172.8904 37.92334
173.3725 38.27972
173.8547 37.11890
174.3368 35.92377
174.8189 35.02405
175.3010 33.84967
175.7831 31.40015
176.2652 27.57886
176.7474 24.55316
177.2295 24.72510
177.7116 26.97266
178.1937 28.51062
178.6758 28.47778
179.1579 27.50684
179.6401 26.50793
180.1222 25.50580
180.6043 24.32654
181.0864 23.18964
181.5685 21.85693
182.0506 19.71063
182.5328 15.66327
183.0149 10.64032
183.4970 7.753052
183.9791 8.393250
184.4612 9.151550
184.9433 8.831665
185.4255 7.555237
185.9076 5.460571
186.3897 2.255920
186.8718 1.846130
187.3539 4.528870
187.8360 4.813721
188.3182 4.548706
188.8003 3.525452
189.2824 2.348328
189.7645 2.162781
190.2466 4.140747
190.7287 8.430237
191.2109 11.09717
191.6930 10.63837
192.1751 10.02069
192.6572 10.01245
193.1393 10.65601
193.6214 11.65253
194.1036 12.69617
194.5857 13.66553
195.0678 15.93842
195.5499 21.44482
196.0320 26.20160
196.5141 28.20862
196.9963 27.58008
197.4784 25.46613
197.9605 22.68799
198.4426 19.05573
198.9247 17.26355
199.4068 19.05463
199.8890 21.22168
200.3711 21.99481
200.8532 21.11877
201.3353 18.58673
201.8174 13.35223
202.2995 5.383545
202.7817 2.120056
203.2638 7.836182
203.7459 16.05231
204.2280 20.70605
204.7101 21.10577
205.1922 19.99426
205.6744 19.68823
206.1565 19.93994
206.6386 19.49921
207.1207 16.62201
207.6028 13.47601
208.0849 13.71295
208.5671 18.48981
209.0492 23.24548
209.5313 24.13312
210.0134 22.28857
210.4955 19.63660
210.9776 15.87988
211.4598 11.91156
211.9419 9.757141
212.4240 9.892822
212.9061 10.95477
213.3882 12.98297
213.8703 15.24475
214.3525 16.33344
214.8346 15.33917
215.3167 12.54895
215.7988 8.836792
216.2809 2.355591
216.7630 2.030762
217.2451 0.5222170
217.7273 4.075562
218.2094 6.741821
218.6915 3.965942
219.1736 3.203857
219.6557 8.627930
220.1378 11.35132
220.6200 13.14709
221.1021 13.55725
221.5842 13.54150
222.0663 14.80884
222.5484 18.83923
223.0305 25.16321
223.5127 29.02771
223.9948 26.97302
224.4769 25.94556
224.9590 28.15234
225.4411 32.35034
225.9232 36.22913
226.4054 38.21265
226.8875 38.50183
227.3696 39.82288
227.8517 41.81482
228.3338 45.36841
228.8159 51.22656
229.2981 58.72925
229.7802 66.81458
230.2623 74.90857
230.7444 82.99622
231.2265 90.70117
231.7086 99.50891
232.1908 106.3204
232.6729 109.6647
233.1550 110.4592
233.6371 109.8721
234.1192 108.1101
234.6013 105.9645
235.0835 109.8290
235.5656 125.4438
236.0477 139.7228
236.5298 146.9467
237.0119 149.7704
237.4940 154.7844
237.9762 166.1951
238.4583 182.0339
238.9404 192.9969
239.4225 195.4126
239.9046 197.9797
240.3867 203.3915
240.8689 211.0093
241.3510 219.6246
241.8331 229.0319
242.3152 238.9497
242.7973 248.4706
243.2794 256.7308
243.7616 265.7915
244.2437 277.2455
244.7258 290.1646
245.2079 301.5914
245.6900 309.3907
246.1721 316.4491
246.6543 329.0751
247.1364 349.2847
247.6185 368.8192
248.1006 382.0862
248.5827 390.6827
249.0648 401.0856
249.5470 415.7726
250.0291 433.5237
250.5112 452.5487
250.9933 473.2167
251.4754 493.0142
251.9576 510.0452
252.4397 524.8975
252.9218 540.7964
253.4039 558.8934
253.8860 577.4493
254.3681 593.8242
254.8503 608.1740
255.3324 624.2777
255.8145 644.8363
256.2966 669.2780
256.7787 694.5753
257.2608 720.6495
257.7430 746.4650
258.2251 771.4460
258.7072 795.6614
259.1893 819.0985
259.6714 840.3989
260.1535 860.4822
260.6357 884.3950
261.1178 914.3464
261.5999 945.0850
262.0820 973.6611
262.5641 1000.671
263.0462 1027.472
263.5284 1054.371
264.0105 1081.439
264.4926 1110.060
264.9747 1140.483
265.4568 1172.289
265.9389 1205.979
266.4211 1240.435
266.9032 1273.436
267.3853 1303.124
267.8674 1330.561
268.3495 1360.473
268.8316 1394.465
269.3138 1428.738
269.7959 1463.444
270.2780 1497.091
270.7601 1527.272
271.2422 1552.081
271.7243 1573.181
272.2065 1595.825
272.6886 1620.959
273.1707 1646.097
273.6528 1670.171
274.1349 1694.091
274.6170 1718.688
275.0992 1744.532
275.5813 1770.928
276.0634 1796.062
276.5455 1820.066
277.0276 1842.710
277.5097 1864.848
277.9919 1885.455
278.4740 1903.533
278.9561 1918.812
279.4382 1931.726
279.9203 1942.760
280.4024 1949.927
280.8846 1959.451
281.3667 1975.669
281.8488 1991.747
282.3309 2002.145
282.8130 2005.685
283.2951 2005.661
283.7773 2006.539
284.2594 2008.018
284.7415 2011.315
285.2236 2018.840
285.7057 2026.127
286.1878 2030.366
286.6700 2031.336
287.1521 2030.827
287.6342 2030.994
288.1163 2032.443
288.5984 2032.048
289.0805 2028.961
289.5627 2024.966
290.0448 2019.463
290.5269 2013.412
291.0090 2009.601
291.4911 2011.461
291.9732 2019.945
292.4554 2021.764
292.9375 2009.124
293.4196 1997.676
293.9017 1993.290
294.3838 1994.169
294.8659 1995.614
295.3481 1994.338
295.8302 1990.531
296.3123 1986.949
296.7944 1983.234
297.2765 1980.167
297.7586 1977.538
298.2408 1975.746
298.7229 1975.621
299.2050 1977.696
299.6871 1981.368
300.1692 1984.301
300.6513 1985.794
301.1335 1987.342
301.6156 1988.301
302.0977 1989.703
302.5798 1993.064
303.0619 1998.936
303.5440 2005.914
304.0262 2011.018
304.5083 2012.427
304.9904 2014.567
305.4725 2017.666
305.9546 2021.348
306.4367 2026.135
306.9189 2031.792
307.4010 2036.382
307.8831 2036.791
308.3652 2030.113
308.8473 2026.842
309.3294 2031.508
309.8116 2035.338
310.2937 2033.930
310.7758 2026.541
311.2579 2013.857
311.7400 1996.266
312.2221 1972.871
312.7043 1949.525
313.1864 1927.549
313.6685 1904.250
314.1506 1878.618
314.6327 1850.689
315.1148 1820.591
315.5970 1788.335
316.0791 1754.118
316.5612 1720.644
317.0433 1691.547
317.5254 1658.964
318.0075 1618.509
318.4897 1574.371
318.9718 1532.922
319.4539 1497.471
319.9360 1466.203
320.4181 1432.938
320.9002 1396.376
321.3824 1359.286
321.8645 1320.531
322.3466 1282.234
322.8287 1245.403
323.3108 1210.773
323.7929 1178.980
324.2751 1152.028
324.7572 1133.656
325.2393 1112.436
325.7214 1086.669
326.2035 1060.083
326.6856 1034.533
327.1678 1010.255
327.6499 986.4540
328.1320 962.0456
328.6141 936.1081
329.0962 915.6756
329.5783 904.9710
330.0605 894.5793
330.5426 880.5577
331.0247 863.2350
331.5068 844.7560
331.9889 826.5985
332.4710 809.0904
332.9532 794.4534
333.4353 783.7459
333.9174 774.6832
334.3995 768.0120
334.8816 762.4957
335.3637 756.5315
335.8459 749.3392
336.3280 741.0444
336.8101 732.6822
337.2922 724.0265
337.7743 715.6695
338.2564 706.7285
338.7386 698.8788
339.2206 694.3220
339.7028 693.1695
340.1849 692.7353
340.6670 688.8126
341.1491 679.2581
341.6312 671.7509
342.1133 668.5778
342.5955 665.3051
343.0776 659.2020
343.5597 650.5743
344.0418 641.6838
344.5239 634.5713
345.0060 629.1786
345.4882 622.9965
345.9703 614.3916
346.4524 606.8371
346.9345 600.7229
347.4166 596.4655
347.8987 594.8355
348.3809 596.5961
348.8630 600.6953
349.3451 602.9230
349.8272 600.4837
350.3093 600.6769
350.7914 606.6847
351.2736 614.7422
351.7557 621.1950
352.2378 624.7806
352.7199 626.6059
353.2020 628.4880
353.6841 630.6562
354.1663 632.1384
354.6484 633.6521
355.1305 633.9060
355.6126 631.9880
356.0947 627.8583
356.5768 622.1929
357.0590 616.4047
357.5411 610.7733
358.0232 600.4006
358.5053 583.0803
358.9874 562.8470
359.4695 541.0904
359.9517 518.0225
360.4338 493.7438
360.9159 467.7603
361.3980 440.9965
361.8801 416.1079
362.3622 394.3859
362.8444 371.9399
363.3265 345.8484
363.8086 319.0726
364.2907 294.6910
364.7728 273.5801
365.2549 254.4370
365.7371 235.8869
366.2192 217.9077
366.7013 199.8032
367.1834 180.5535
367.6655 161.8813
368.1476 145.0159
368.6298 129.9268
369.1119 116.0982
369.5940 103.7108
370.0761 92.44287
370.5582 80.78369
371.0403 68.15442
371.5225 56.00989
372.0046 45.21680
372.4867 35.60858
372.9688 26.73785
373.4509 18.77185
373.9330 11.32056
374.4152 3.773132
374.8973 3.876587
375.3794 11.22729
375.8615 18.37830
376.3436 24.84708
376.8257 30.04828
377.3079 33.93347
377.7900 36.55231
378.2721 37.25586
378.7542 36.52652
379.2363 36.61847
379.7184 38.58871
380.2006 40.91919
380.6827 41.82037
381.1648 41.37820
381.6469 40.01498
382.1290 36.47717
382.6111 32.66559
383.0933 31.87216
383.5754 34.62997
384.0575 37.29761
384.5396 36.59772
385.0217 33.03336
385.5038 31.25317
385.9860 33.34314
386.4681 35.47394
386.9502 35.50409
387.4323 33.63071
387.9144 30.40512
388.3965 25.64606
388.8787 20.34857
389.3608 17.37204
389.8429 17.60843
390.3250 17.76724
390.8071 17.28107
391.2892 16.32263
391.7714 15.19931
392.2535 13.96384
392.7356 12.20444
393.2177 9.300568
393.6998 4.891418
394.1819 1.045227
394.6641 3.035431
395.1462 5.925201
395.6283 5.827789
396.1104 3.690460
396.5925 2.307678
397.0746 3.520569
397.5568 6.913391
398.0389 10.11301
398.5210 12.91809
399.0031 15.77435
399.4852 19.48804
399.9673 22.93765
400.4495 24.16284
400.9316 22.78522
401.4137 21.30359
401.8958 23.96921
402.3779 33.44385
402.8600 39.79175
403.3422 42.00146
403.8243 42.46259
404.3064 41.18384
404.7885 39.06238
405.2706 38.01569
405.7527 39.71591
406.2349 43.75290
406.7170 46.90820
407.1991 48.29315
407.6812 50.06961
408.1633 53.04080
408.6454 56.50058
409.1276 59.72217
409.6097 62.44714
410.0918 64.76752
410.5739 66.98383
411.0560 69.29770
411.5381 70.45566
412.0203 68.62021
412.5024 66.90698
412.9845 67.62869
413.4666 70.39735
413.9487 72.78854
414.4308 71.73804
414.9130 68.78339
415.3951 70.56114
415.8772 79.26123
416.3593 87.29709
416.8414 90.04437
417.3235 89.74231
417.8057 88.87288
418.2878 87.45212
418.7699 86.79071
419.2520 88.97824
419.7341 93.60895
420.2162 96.67072
420.6984 96.28799
421.1805 94.73007
421.6626 94.91057
422.1447 96.78137
422.6268 98.87335
423.1089 100.9106
423.5911 102.7456
424.0732 103.9960
424.5553 104.6141
425.0374 105.3784
425.5195 106.8749
426.0016 109.0657
426.4838 111.3815
426.9659 114.4370
427.4480 116.9553
427.9301 118.0598
428.4122 118.2002
428.8943 118.2168
429.3765 118.3884
429.8586 118.9829
430.3407 120.5998
430.8228 124.5164
431.3049 126.4492
431.7870 124.1525
432.2692 121.5530
432.7513 121.7125
433.2334 124.3698
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