#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:17 +0300 (Thu, 26 Apr 2018) $
#$Revision: 574 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000118.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_1000118
loop_
_publ_author_name
'Yang, H.'
'Downs, R. T.'
'Evans, S. H.'
'Feinglos, M. N.'
'Tait, K. T.'
_publ_section_title
;
 Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship
 with ramdohrite and fizelyite Note: Sample ID R100213
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1186
_journal_page_last               1189
_journal_paper_doi               10.2138/am.2011.3809
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Uchuc-Chacua, Lima, Peru'
_chemical_formula_sum            'Ag1.049 Mn0.901 Pb3 S12 Sb5.049'
_chemical_name_mineral           Uchucchacuaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.059
_cell_angle_gamma                90
_cell_length_a                   19.3645
_cell_length_b                   12.7287
_cell_length_c                   8.7571
_cell_volume                     2158.492
_exptl_crystal_density_diffrn    5.489
_cod_original_formula_sum        'Pb3 Mn.901 Ag1.049 Sb5.049 S12'
_cod_database_code               9016727
_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            R100213.rod
_rod_data_source.block           3500000
_rod_database.code               1000118
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 9016727 COD http://www.crystallography.net/cod/9016727.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
160.9945 0.0000000E+00
161.4766 1.865112
161.9587 5.869385
162.4408 10.17419
162.9229 12.83582
163.4050 17.27197
163.8871 21.80371
164.3693 20.36438
164.8514 18.39404
165.3335 18.15979
165.8156 15.31580
166.2977 13.53406
166.7798 17.59375
167.2620 24.97729
167.7441 29.08423
168.2262 25.74500
168.7083 22.77173
169.1904 25.10156
169.6725 26.59973
170.1547 28.60059
170.6368 29.49329
171.1189 28.95605
171.6010 27.00513
172.0831 23.58362
172.5652 18.28845
173.0474 13.94275
173.5295 10.60364
174.0116 8.343262
174.4937 8.330322
174.9758 10.56970
175.4579 10.63281
175.9401 3.989380
176.4222 4.622681
176.9043 9.956665
177.3864 10.49414
177.8685 8.958008
178.3506 8.904053
178.8328 10.97009
179.3149 12.19727
179.7970 10.88843
180.2791 8.623047
180.7612 6.662476
181.2433 5.404785
181.7255 4.747925
182.2076 4.758545
182.6897 6.889160
183.1718 6.852905
183.6539 1.755371
184.1360 4.767578
184.6181 8.509766
185.1003 7.279053
185.5824 2.934570
186.0645 2.076416
186.5466 7.770508
187.0287 13.56921
187.5108 18.69080
187.9930 23.36389
188.4751 27.92993
188.9572 32.53516
189.4393 37.19409
189.9214 41.88989
190.4035 45.91638
190.8857 50.67896
191.3678 56.41614
191.8499 63.04651
192.3320 70.63440
192.8141 79.37634
193.2962 88.99451
193.7784 97.38953
194.2605 103.6791
194.7426 109.9985
195.2247 116.7101
195.7068 123.9835
196.1889 132.2854
196.6711 141.9927
197.1532 152.9907
197.6353 164.2864
198.1174 174.6951
198.5995 186.4343
199.0816 201.6628
199.5638 219.9266
200.0459 237.8291
200.5280 253.0698
201.0101 266.7306
201.4922 281.6667
201.9743 298.0802
202.4565 315.8042
202.9386 335.3492
203.4207 356.8328
203.9028 377.7179
204.3849 394.5981
204.8670 410.7698
205.3492 431.2268
205.8313 458.8663
206.3134 488.5243
206.7955 513.5042
207.2776 533.0082
207.7597 551.5188
208.2419 570.3167
208.7240 589.4836
209.2061 608.8594
209.6882 628.1321
210.1703 648.1343
210.6524 670.7639
211.1346 697.0913
211.6167 722.9067
212.0988 747.2654
212.5809 770.2642
213.0630 792.0009
213.5451 812.3264
214.0273 831.5918
214.5094 850.6650
214.9915 870.6096
215.4736 888.1777
215.9557 901.9556
216.4378 913.9226
216.9200 926.2986
217.4021 940.0293
217.8842 954.2565
218.3663 966.2405
218.8484 972.1831
219.3305 979.4778
219.8127 990.3210
220.2948 1002.227
220.7769 1012.969
221.2590 1021.527
221.7411 1027.846
222.2232 1031.695
222.7054 1028.130
223.1875 1028.026
223.6696 1035.211
224.1517 1045.005
224.6338 1052.058
225.1159 1053.957
225.5980 1052.118
226.0802 1050.798
226.5623 1051.148
227.0444 1050.501
227.5265 1048.363
228.0086 1045.269
228.4907 1041.865
228.9729 1038.426
229.4550 1034.902
229.9371 1031.293
230.4192 1029.148
230.9013 1024.546
231.3834 1014.667
231.8656 1002.496
232.3477 993.0219
232.8298 988.5200
233.3119 986.0265
233.7940 978.4014
234.2761 963.1202
234.7583 949.6133
235.2404 941.1959
235.7225 936.2290
236.2046 931.7855
236.6867 926.9646
237.1688 921.8933
237.6510 917.0376
238.1331 912.8340
238.6152 907.2256
239.0973 897.7004
239.5794 886.3145
240.0615 877.5525
240.5437 872.6682
241.0258 870.5315
241.5079 869.9076
241.9900 870.6274
242.4721 872.1038
242.9542 874.1887
243.4364 876.8685
243.9185 879.9548
244.4006 883.0942
244.8827 887.3337
245.3648 893.8538
245.8469 902.4041
246.3290 911.6011
246.8112 920.7638
247.2933 930.0232
247.7754 940.1687
248.2575 951.9182
248.7396 963.4424
249.2217 972.6045
249.7039 980.1731
250.1860 988.7950
250.6681 999.5615
251.1502 1012.426
251.6323 1027.894
252.1144 1047.775
252.5966 1067.200
253.0787 1082.310
253.5608 1094.781
254.0429 1108.643
254.5250 1127.193
255.0071 1148.892
255.4893 1167.617
255.9714 1181.172
256.4535 1195.138
256.9356 1212.525
257.4177 1231.847
257.8998 1250.912
258.3820 1268.719
258.8641 1285.228
259.3462 1300.244
259.8283 1313.476
260.3104 1325.469
260.7925 1336.851
261.2747 1347.325
261.7568 1356.401
262.2389 1363.798
262.7210 1369.820
263.2031 1375.340
263.6852 1380.008
264.1674 1384.743
264.6495 1389.328
265.1316 1394.252
265.6137 1399.868
266.0958 1406.290
266.5779 1413.774
267.0601 1423.338
267.5422 1437.421
268.0243 1449.044
268.5064 1457.430
268.9885 1463.297
269.4706 1466.919
269.9528 1468.447
270.4349 1468.490
270.9170 1467.857
271.3991 1465.015
271.8812 1464.745
272.3633 1468.543
272.8455 1473.811
273.3276 1479.642
273.8097 1485.393
274.2918 1489.431
274.7739 1489.091
275.2560 1482.700
275.7382 1475.078
276.2202 1466.781
276.7024 1457.147
277.1845 1445.335
277.6666 1431.403
278.1487 1416.433
278.6308 1401.729
279.1129 1387.664
279.5951 1372.587
280.0772 1355.550
280.5593 1338.445
281.0414 1322.515
281.5235 1307.573
282.0056 1292.467
282.4878 1276.130
282.9699 1258.321
283.4520 1240.097
283.9341 1222.395
284.4162 1203.410
284.8983 1182.815
285.3805 1160.364
285.8626 1135.722
286.3447 1108.569
286.8268 1079.044
287.3089 1047.068
287.7910 1012.635
288.2732 976.1549
288.7553 937.6633
289.2374 897.3201
289.7195 855.8732
290.2016 813.7931
290.6837 770.9720
291.1659 725.2734
291.6480 672.6069
292.1301 622.1841
292.6122 576.2538
293.0943 533.2673
293.5764 491.1178
294.0586 448.6134
294.5407 406.2943
295.0228 365.4108
295.5049 322.9032
295.9870 285.8817
296.4691 257.6007
296.9513 233.6509
297.4334 209.6746
297.9155 184.3414
298.3976 158.1975
298.8797 131.9554
299.3618 102.7944
299.8440 79.65039
300.3261 65.39685
300.8082 55.38867
301.2903 45.98242
301.7724 36.51624
302.2545 28.16333
302.7367 22.29626
303.2188 19.62024
303.7009 16.65198
304.1830 12.10449
304.6651 8.216187
305.1472 6.646973
305.6294 7.404663
306.1115 9.297607
306.5936 11.17932
307.0757 12.84229
307.5578 15.69165
308.0399 19.46130
308.5221 24.23877
309.0042 31.42102
309.4863 40.04321
309.9684 47.32434
310.4505 51.23315
310.9326 52.25659
311.4148 54.46069
311.8969 57.47668
312.3790 61.70239
312.8611 67.69727
313.3432 75.22021
313.8253 83.57642
314.3075 92.29980
314.7896 101.3577
315.2717 111.1782
315.7538 123.0370
316.2359 134.2086
316.7180 143.1088
317.2001 151.7229
317.6823 162.0535
318.1644 174.7130
318.6465 189.3861
319.1286 205.6991
319.6107 223.9822
320.0928 243.8774
320.5750 264.4823
321.0571 286.7626
321.5392 312.1161
322.0213 340.6624
322.5034 371.2263
322.9855 402.4236
323.4677 434.3907
323.9498 464.9816
324.4319 493.5406
324.9140 522.0384
325.3961 552.6382
325.8782 584.0739
326.3604 613.1431
326.8425 637.5905
327.3246 657.7094
327.8067 676.7212
328.2888 694.3165
328.7709 711.3425
329.2531 728.0895
329.7352 744.4707
330.2173 760.1984
330.6994 775.0712
331.1815 789.2293
331.6636 803.1917
332.1458 814.3544
332.6279 828.7502
333.1100 848.1309
333.5921 870.1064
334.0742 892.3931
334.5563 914.1846
335.0385 936.3701
335.5206 960.2379
336.0027 986.6329
336.4848 1012.768
336.9669 1040.821
337.4490 1067.243
337.9312 1089.857
338.4133 1108.569
338.8954 1124.261
339.3775 1137.687
339.8596 1148.808
340.3417 1157.989
340.8239 1168.908
341.3060 1174.574
341.7881 1173.595
342.2702 1165.282
342.7523 1149.079
343.2344 1124.824
343.7166 1092.403
344.1987 1051.310
344.6808 996.3935
345.1629 937.5203
345.6450 873.4641
346.1271 807.0607
346.6093 740.8164
347.0914 676.2203
347.5735 612.9371
348.0556 551.4844
348.5377 489.7114
349.0198 433.7509
349.5020 383.6972
349.9841 338.3683
350.4662 297.9973
350.9483 262.3516
351.4304 230.3936
351.9125 201.3541
352.3947 175.3216
352.8768 152.0688
353.3589 133.3544
353.8410 115.6971
354.3231 97.26703
354.8052 78.99542
355.2874 62.97797
355.7695 50.92596
356.2516 42.21191
356.7337 32.67822
357.2158 19.76248
357.6979 9.716949
358.1800 5.227570
358.6621 3.269867
359.1443 0.4589840
359.6264 4.540131
360.1085 10.13910
360.5906 13.47729
361.0727 13.77081
361.5548 13.83823
362.0370 12.94730
362.5191 12.65396
363.0012 14.51303
363.4833 18.38196
363.9654 22.20309
364.4475 23.92719
364.9297 23.45847
365.4118 22.46225
365.8939 19.69199
366.3760 17.81274
366.8581 18.51498
367.3402 20.82794
367.8224 22.78815
368.3045 23.25037
368.7866 22.53571
369.2687 21.32422
369.7508 18.87619
370.2329 17.60736
370.7151 19.85443
371.1972 22.85944
371.6793 23.76218
372.1614 21.54565
372.6435 18.35617
373.1256 16.88016
373.6078 17.24600
374.0899 17.27539
374.5720 16.38864
375.0541 15.11310
375.5362 13.60928
376.0183 11.99265
376.5005 10.82669
376.9826 11.33936
377.4647 12.73148
377.9468 11.62582
378.4289 6.575623
378.9110 1.788605
379.3932 1.120972
379.8753 2.650970
380.3574 2.628845
380.8395 1.253662
381.3216 6.139709
381.8037 8.141083
382.2859 7.186371
382.7680 6.793640
383.2501 8.749817
383.7322 12.03207
384.2143 14.88190
384.6964 17.18118
385.1786 19.39122
385.6607 22.09117
386.1428 24.92204
386.6249 26.69151
387.1070 26.82314
387.5891 26.71407
388.0713 28.15755
388.5534 30.99382
389.0355 33.73055
389.5176 36.58858
389.9997 38.88814
390.4818 39.32076
390.9640 37.99274
391.4461 37.32825
391.9282 39.00583
392.4103 42.77773
392.8924 46.78326
393.3745 52.15733
393.8567 56.51501
394.3388 58.28949
394.8209 58.45328
395.3030 58.79994
395.7851 59.94684
396.2672 61.73488
396.7494 64.00375
397.2315 67.42198
397.7136 69.64047
398.1957 68.59917
398.6778 67.62540
399.1599 70.17264
399.6420 76.12276
400.1241 82.25169
400.6063 85.70897
401.0884 86.42667
401.5705 86.82664
402.0526 85.93323
402.5347 85.83080
403.0168 87.62088
403.4990 90.53310
403.9811 93.31021
404.4632 95.34674
404.9453 96.97617
405.4274 99.07585
405.9095 102.5870
406.3917 104.9231
406.8738 105.2695
407.3559 105.0851
407.8380 105.3382
408.3201 106.1712
408.8022 107.1940
409.2844 108.0009
409.7665 108.5748
410.2486 109.2368
410.7307 109.1740
411.2128 110.1678
411.6949 113.7610
412.1771 118.5385
412.6592 122.2327
413.1413 123.6596
413.6234 123.6298
414.1055 123.7177
414.5876 123.7668
415.0698 124.4011
415.5519 126.8537
416.0340 129.2178
416.5161 129.4812
416.9982 127.6016
417.4803 126.4180
417.9625 129.3425
418.4446 135.6103
418.9267 139.5726
419.4088 140.1046
419.8909 139.6402
420.3730 139.5034
420.8552 139.4013
421.3373 138.8619
421.8194 137.6810
422.3015 136.2274
422.7836 135.0375
423.2657 134.1397
423.7479 133.0354
424.2300 131.0520
424.7121 128.8727
425.1942 127.6620
425.6763 127.5656
426.1584 127.8344
426.6406 128.9938
427.1227 130.1657
427.6048 129.3700
428.0869 126.0358
428.5690 122.5960
429.0511 121.7151
429.5333 123.5405
430.0154 124.0913
430.4975 123.3298
430.9796 121.3276
431.4617 116.6591
431.9438 110.6709
432.4260 107.0092
432.9081 107.6279
433.3902 110.6696
433.8723 111.6942
434.3544 108.6995
434.8365 106.7804
435.3187 107.2056
435.8008 108.0910
436.2829 108.2111
436.7650 107.2851
437.2471 105.2747
437.7292 102.0785
438.2114 97.73793
438.6935 94.52992
439.1756 93.38256
439.6577 92.25063
440.1398 89.77153
440.6219 87.19510
441.1040 86.80374
441.5862 89.54788
442.0683 93.29765
442.5504 93.82550
443.0325 89.64557
443.5146 86.80484
443.9967 87.31490
444.4789 87.99075
444.9610 86.91541
445.4431 84.37248
445.9252 81.97636
446.4073 80.82033
446.8894 80.74756
447.3716 81.49696
447.8537 83.85080
448.3358 84.95418
448.8179 81.98619
449.3000 77.75665
449.7821 75.45790
450.2643 76.05063
450.7464 77.35818
451.2285 77.54602
451.7106 76.81578
452.1927 76.29688
452.6748 76.28072
453.1570 76.32037
453.6391 75.85529
454.1212 75.02380
454.6033 74.44324
455.0854 74.85510
455.5675 75.14549
456.0497 73.97551
456.5318 71.57692
457.0139 69.40414
457.4960 68.13281
457.9781 67.67471
458.4602 67.93045
458.9424 69.10939
459.4245 70.34467
459.9066 72.58002
460.3887 74.17398
460.8708 72.74109
461.3529 68.30005
461.8351 63.61874
462.3172 61.25737
462.7993 61.28825
463.2814 61.72896
463.7635 63.36922
464.2456 64.48779
464.7278 64.82693
465.2099 64.32024
465.6920 62.41716
466.1741 58.98030
466.6562 55.55901
467.1383 55.18254
467.6205 59.44307
468.1026 61.77666
468.5847 60.44574
469.0668 58.49753
469.5489 57.12552
470.0310 56.27727
470.5132 55.49071
470.9953 54.57306
471.4774 53.42258
471.9595 51.58958
472.4416 48.74168
472.9237 46.46654
473.4059 45.86148
473.8880 45.79907
474.3701 45.16255
474.8522 43.79800
475.3343 42.66553
475.8164 42.54076
476.2986 43.13057
476.7807 44.04712
477.2628 45.50496
477.7449 45.67973
478.2270 41.93340
478.7091 35.63989
479.1913 32.60281
479.6734 36.39053
480.1555 39.84131
480.6376 37.94057
481.1197 33.17336
481.6018 31.15506
482.0839 33.83447
482.5660 38.14995
483.0482 39.97719
483.5303 38.78484
484.0124 36.53117
484.4945 31.12813
484.9766 26.69455
485.4587 26.09895
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