#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:43:55 +0300 (Thu, 26 Apr 2018) $
#$Revision: 539 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000089.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_1000089
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 R070760
;
_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
'Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan'
_chemical_formula_sum            'Ag1.041 Mn0.919 Pb3 S12 Sb5.041'
_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                 90.017
_cell_angle_gamma                90
_cell_length_a                   19.3462
_cell_length_b                   12.7251
_cell_length_c                   8.7472
_cell_volume                     2153.406
_exptl_crystal_density_diffrn    5.499
_cod_original_formula_sum        'Pb3 Mn.919 Ag1.041 Sb5.041 S12'
_cod_database_code               9015631
_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            R070760.rod
_rod_data_source.block           3500000
_rod_database.code               1000089
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 9015631 COD http://www.crystallography.net/cod/9015631.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
150.6358 0.0000000E+00
151.1179 86.56055
151.6000 256.7031
152.0821 499.5723
152.5643 698.0293
153.0464 811.4473
153.5285 891.1230
154.0106 977.7227
154.4927 1086.266
154.9748 1222.291
155.4570 1333.820
155.9391 1370.932
156.4212 1423.455
156.9033 1488.469
157.3854 1556.775
157.8675 1603.533
158.3497 1615.453
158.8318 1602.484
159.3139 1617.666
159.7960 1648.758
160.2781 1658.627
160.7602 1670.945
161.2424 1755.217
161.7245 1895.352
162.2066 1980.280
162.6887 1973.604
163.1708 1916.123
163.6529 1825.064
164.1351 1700.041
164.6172 1577.750
165.0993 1448.748
165.5814 1280.464
166.0635 1102.020
166.5456 937.3115
167.0278 790.2549
167.5099 659.4287
167.9920 547.3301
168.4741 462.1963
168.9562 409.8184
169.4383 366.1768
169.9205 311.6846
170.4026 247.6475
170.8847 168.6377
171.3668 50.42090
171.8489 86.67188
172.3310 182.6807
172.8132 220.3936
173.2953 221.7480
173.7774 201.1602
174.2595 160.5898
174.7416 127.6406
175.2237 126.6973
175.7059 145.5293
176.1880 149.1191
176.6701 132.3984
177.1522 115.9609
177.6343 120.4219
178.1164 143.3574
178.5986 159.6484
179.0807 154.4043
179.5628 133.4707
180.0449 60.85938
180.5270 163.6328
181.0091 379.5273
181.4913 458.0977
181.9734 368.8730
182.4555 224.2500
182.9376 225.5801
183.4197 479.1895
183.9018 670.1152
184.3840 735.8555
184.8661 750.8223
185.3482 768.2168
185.8303 810.2168
186.3124 878.3750
186.7945 981.1875
187.2767 1167.674
187.7588 1327.555
188.2409 1448.295
188.7230 1540.619
189.2051 1612.783
189.6872 1669.379
190.1694 1714.111
190.6515 1767.943
191.1336 1853.438
191.6157 1923.012
192.0978 1973.740
192.5799 2002.039
193.0621 2002.771
193.5442 1972.756
194.0263 1912.826
194.5084 1825.928
194.9905 1724.012
195.4726 1591.904
195.9548 1401.168
196.4369 1170.158
196.9190 954.5938
197.4011 796.2812
197.8832 690.1934
198.3653 553.3809
198.8475 356.1094
199.3296 157.5684
199.8117 21.23633
200.2938 176.3652
200.7759 291.2910
201.2580 347.0605
201.7402 344.0234
202.2223 333.3750
202.7044 324.3105
203.1865 303.0059
203.6686 258.1934
204.1507 188.7891
204.6329 98.75977
205.1150 5.837891
205.5971 129.0000
206.0792 287.4512
206.5613 481.6484
207.0434 713.8809
207.5256 995.2637
208.0077 1333.826
208.4898 1720.869
208.9719 2096.201
209.4540 2463.643
209.9361 2833.232
210.4183 3199.854
210.9004 3571.768
211.3825 3971.912
211.8646 4414.096
212.3467 4859.365
212.8288 5268.832
213.3110 5656.533
213.7931 6061.754
214.2752 6515.938
214.7573 7006.514
215.2394 7472.662
215.7215 7915.773
216.2037 8328.961
216.6858 8702.568
217.1679 9047.920
217.6500 9394.035
218.1321 9774.332
218.6142 10182.85
219.0964 10549.76
219.5785 10856.08
220.0606 11136.54
220.5427 11416.04
221.0248 11688.07
221.5069 11929.59
221.9891 12111.29
222.4712 12230.09
222.9533 12363.79
223.4354 12549.91
223.9175 12717.14
224.3996 12833.27
224.8818 12903.09
225.3639 12951.35
225.8460 12993.35
226.3281 13024.42
226.8102 13084.48
227.2923 13216.61
227.7745 13341.37
228.2566 13424.45
228.7387 13465.86
229.2208 13484.03
229.7029 13494.91
230.1850 13499.97
230.6672 13508.64
231.1493 13550.87
231.6314 13577.61
232.1135 13581.27
232.5956 13552.21
233.0777 13469.78
233.5599 13306.18
234.0420 13041.06
234.5241 12768.81
235.0062 12494.23
235.4883 12209.94
235.9704 11919.91
236.4526 11620.57
236.9347 11299.15
237.4168 10936.91
237.8989 10511.64
238.3810 10126.22
238.8631 9792.773
239.3453 9477.457
239.8274 9159.031
240.3095 8836.088
240.7916 8528.676
241.2737 8259.857
241.7558 8043.760
242.2380 7824.727
242.7201 7575.684
243.2022 7344.420
243.6843 7155.107
244.1664 7013.627
244.6485 6913.957
245.1307 6850.393
245.6128 6829.371
246.0949 6834.426
246.5770 6890.871
247.0591 6953.217
247.5412 6976.324
248.0234 6960.039
248.5055 6951.129
248.9876 7001.137
249.4697 7122.285
249.9518 7280.707
250.4339 7485.775
250.9161 7718.957
251.3982 7967.393
251.8803 8227.986
252.3624 8509.793
252.8445 8817.451
253.3266 9150.998
253.8088 9528.785
254.2909 9948.158
254.7730 10409.87
255.2551 10915.76
255.7372 11464.86
256.2193 12055.75
256.7014 12689.68
257.1836 13374.25
257.6657 14079.09
258.1478 14817.20
258.6299 15562.05
259.1120 16303.34
259.5941 17038.41
260.0763 17749.72
260.5584 18420.81
261.0405 19046.06
261.5226 19639.24
262.0047 20216.51
262.4868 20749.25
262.9690 21210.94
263.4511 21599.14
263.9332 21931.04
264.4153 22213.58
264.8974 22442.14
265.3795 22653.04
265.8617 22856.62
266.3438 23037.37
266.8259 23187.06
267.3080 23304.19
267.7901 23379.00
268.2722 23395.33
268.7544 23350.37
269.2365 23304.27
269.7186 23290.41
270.2007 23253.34
270.6828 23118.54
271.1649 22889.09
271.6471 22684.29
272.1292 22589.00
272.6113 22607.58
273.0934 22663.80
273.5755 22730.30
274.0576 22853.88
274.5398 23081.87
275.0219 23409.98
275.5040 23783.62
275.9861 24162.67
276.4682 24561.15
276.9503 25010.52
277.4325 25616.57
277.9146 26191.12
278.3967 26603.16
278.8788 26861.80
279.3609 27045.96
279.8430 27202.74
280.3252 27313.18
280.8073 27340.05
281.2894 27215.06
281.7715 27070.22
282.2536 26961.70
282.7357 26893.84
283.2179 26895.26
283.7000 26987.47
284.1821 27162.16
284.6642 27368.51
285.1463 27582.61
285.6284 27854.48
286.1106 28247.42
286.5927 28733.90
287.0748 29200.04
287.5569 29606.32
288.0390 29951.13
288.5211 30250.21
289.0033 30534.40
289.4854 30728.88
289.9675 30809.77
290.4496 30774.71
290.9317 30629.92
291.4138 30403.02
291.8960 30025.08
292.3781 29362.33
292.8602 28393.02
293.3423 27266.02
293.8244 26000.63
294.3065 24620.67
294.7887 23168.93
295.2708 21648.20
295.7529 20083.76
296.2350 18531.17
296.7171 16976.42
297.1992 15465.02
297.6814 13993.64
298.1635 12577.67
298.6456 11237.42
299.1277 9970.811
299.6098 8800.758
300.0919 7770.756
300.5741 6882.000
301.0562 6056.248
301.5383 5285.330
302.0204 4570.363
302.5025 3923.018
302.9846 3346.730
303.4668 2826.568
303.9489 2340.557
304.4310 1888.806
304.9131 1496.856
305.3952 1178.043
305.8773 915.7773
306.3595 695.2461
306.8416 513.5039
307.3237 375.1621
307.8058 285.5391
308.2879 247.4258
308.7701 237.4541
309.2522 260.1357
309.7343 310.4160
310.2164 388.1426
310.6985 491.6777
311.1806 614.9658
311.6628 764.8564
312.1449 936.3232
312.6270 1079.324
313.1091 1173.293
313.5912 1254.803
314.0733 1352.911
314.5555 1460.133
315.0376 1538.540
315.5197 1554.513
316.0018 1521.654
316.4839 1530.911
316.9660 1599.850
317.4482 1683.615
317.9303 1761.725
318.4124 1842.003
318.8945 1943.434
319.3766 2075.310
319.8587 2232.344
320.3409 2400.087
320.8230 2567.982
321.3051 2757.213
321.7872 2989.367
322.2693 3241.810
322.7514 3480.456
323.2336 3692.165
323.7157 3887.449
324.1978 4088.786
324.6799 4303.512
325.1620 4511.531
325.6441 4715.944
326.1263 4908.367
326.6084 5071.807
327.0905 5204.729
327.5726 5335.004
328.0547 5503.090
328.5368 5737.902
329.0190 5935.702
329.5011 6056.057
329.9832 6169.510
330.4653 6319.323
330.9474 6513.714
331.4295 6742.401
331.9117 6988.554
332.3938 7237.606
332.8759 7600.453
333.3580 8077.545
333.8401 8642.463
334.3222 9301.008
334.8044 10038.04
335.2865 10822.32
335.7686 11625.06
336.2507 12447.21
336.7328 13371.45
337.2149 14409.60
337.6971 15528.34
338.1792 16692.82
338.6613 17941.06
339.1434 19331.10
339.6255 20906.34
340.1076 22644.76
340.5898 24465.46
341.0719 26408.43
341.5540 28392.92
342.0361 30515.15
342.5182 32623.37
343.0003 34608.08
343.4825 36422.39
343.9646 37985.84
344.4467 39171.32
344.9288 40091.87
345.4109 40330.70
345.8930 39854.50
346.3752 38838.29
346.8573 37310.07
347.3394 35322.79
347.8215 33033.64
348.3036 30605.42
348.7857 27970.15
349.2679 25433.24
349.7500 22952.40
350.2321 20585.33
350.7142 18341.78
351.1963 16230.55
351.6784 14280.60
352.1606 12526.07
352.6427 10968.72
353.1248 9570.308
353.6069 8367.789
354.0890 7310.286
354.5711 6380.291
355.0533 5564.151
355.5354 4833.841
356.0175 4183.592
356.4996 3606.709
356.9817 3089.733
357.4638 2628.772
357.9460 2233.707
358.4281 1935.905
358.9102 1691.698
359.3923 1454.507
359.8744 1206.547
360.3565 967.2876
360.8387 763.1343
361.3208 593.8364
361.8029 453.6211
362.2850 357.1450
362.7671 279.3638
363.2492 195.5615
363.7314 101.1201
364.2135 17.73584
364.6956 47.48193
365.1777 91.01465
365.6598 89.46045
366.1419 13.88330
366.6241 73.74951
367.1062 118.7861
367.5883 123.8340
368.0704 88.06250
368.5525 17.41992
369.0346 155.4346
369.5168 264.0381
369.9989 335.6821
370.4810 383.8135
370.9631 412.2983
371.4452 424.9014
371.9273 442.5823
372.4095 482.9673
372.8916 518.7019
373.3737 523.7715
373.8558 500.6311
374.3379 472.5715
374.8200 451.9136
375.3022 438.0652
375.7843 427.5251
376.2664 426.2310
376.7485 421.4470
377.2306 407.5981
377.7127 387.1619
378.1949 363.6870
378.6770 338.2222
379.1591 312.6099
379.6412 290.1130
380.1233 273.2163
380.6054 254.9426
381.0876 233.5095
381.5697 211.3787
382.0518 193.3774
382.5339 179.4204
383.0160 160.2888
383.4981 123.1680
383.9803 60.35156
384.4624 12.86743
384.9445 10.99854
385.4266 30.07227
385.9087 51.26123
386.3908 75.42847
386.8730 102.2244
387.3551 131.5203
387.8372 162.9854
388.3193 193.4531
388.8014 220.2495
389.2835 249.3926
389.7657 284.0083
390.2478 320.8950
390.7299 355.8212
391.2120 386.9017
391.6941 416.1431
392.1762 447.4623
392.6584 481.5352
393.1405 516.5217
393.6226 557.0066
394.1047 594.8625
394.5868 622.4312
395.0689 639.3523
395.5511 654.5470
396.0332 676.3208
396.5153 704.7773
396.9974 735.8025
397.4795 772.2732
397.9616 807.5837
398.4438 837.9537
398.9259 864.2767
399.4080 889.1295
399.8901 912.4712
400.3722 935.6733
400.8543 962.0731
401.3365 992.3123
401.8186 1023.263
402.3007 1053.074
402.7828 1082.628
403.2649 1114.074
403.7470 1150.844
404.2292 1184.488
404.7113 1204.771
405.1934 1214.353
405.6755 1227.797
406.1576 1250.666
406.6397 1279.397
407.1219 1308.566
407.6040 1338.346
408.0861 1367.535
408.5682 1396.990
409.0503 1425.165
409.5324 1447.933
410.0146 1464.575
410.4967 1482.976
410.9788 1511.790
411.4609 1552.799
411.9430 1590.742
412.4251 1631.722
412.9073 1664.386
413.3894 1676.134
413.8715 1673.247
414.3536 1674.511
414.8357 1691.924
415.3178 1721.728
415.8000 1746.019
416.2821 1750.609
416.7642 1767.016
417.2463 1811.821
417.7284 1863.697
418.2105 1898.264
418.6927 1908.703
419.1748 1908.754
419.6569 1919.381
420.1390 1945.243
420.6211 1969.139
421.1032 1992.300
421.5854 2012.532
422.0675 2026.305
422.5496 2033.891
423.0317 2041.168
423.5138 2054.254
423.9959 2074.899
424.4781 2097.176
424.9602 2122.403
425.4423 2143.392
425.9244 2156.512
426.4065 2161.989
426.8886 2157.934
427.3708 2145.015
427.8529 2127.638
428.3350 2110.612
428.8171 2095.218
429.2992 2081.674
429.7813 2075.234
430.2635 2063.135
430.7456 2029.864
431.2277 1975.968
431.7098 1929.691
432.1919 1910.148
432.6740 1905.090
433.1562 1894.340
433.6383 1875.416
434.1204 1846.984
434.6025 1804.029
435.0846 1749.040
435.5667 1706.624
436.0489 1689.215
436.5310 1674.495
437.0131 1648.648
437.4952 1614.329
437.9773 1579.789
438.4594 1548.825
438.9416 1522.114
439.4237 1501.170
439.9058 1492.768
440.3879 1479.768
440.8700 1460.966
441.3521 1439.188
441.8343 1416.692
442.3164 1393.116
442.7985 1368.440
443.2806 1343.132
443.7627 1316.326
444.2448 1296.594
444.7270 1288.592
445.2091 1283.313
445.6912 1282.112
446.1733 1280.985
446.6554 1272.696
447.1375 1252.330
447.6197 1225.682
448.1018 1207.304
448.5839 1201.173
449.0660 1191.746
449.5481 1166.656
450.0302 1141.909
450.5124 1131.307
450.9945 1137.102
451.4766 1146.438
451.9587 1150.433
452.4408 1148.999
452.9229 1141.749
453.4051 1126.028
453.8872 1110.523
454.3693 1104.542
454.8514 1105.031
455.3335 1103.144
455.8156 1097.989
456.2978 1088.690
456.7799 1071.266
457.2620 1047.472
457.7441 1027.798
458.2262 1017.766
458.7083 1014.544
459.1904 1010.566
459.6725 1004.020
460.1547 1000.183
460.6368 1001.280
461.1189 1004.877
461.6010 1010.471
462.0831 1017.033
462.5652 1019.212
463.0474 1010.211
463.5295 987.8707
464.0116 973.5316
464.4937 976.3290
464.9758 977.0864
465.4579 966.2103
465.9401 949.8440
466.4222 939.4089
466.9043 941.1749
467.3864 948.5267
467.8685 945.9561
468.3506 929.4970
468.8328 914.4745
469.3149 899.5485
469.7970 889.9384
470.2791 895.1511
470.7612 913.2288
471.2433 924.0145
471.7255 906.2762
472.2076 868.3840
472.6897 840.7524
473.1718 826.5448
473.6539 817.3017
474.1360 811.5222
474.6182 806.3813
475.1003 795.2118
475.5824 770.8054
476.0645 748.1042
476.5466 740.1184
477.0287 742.3819
477.5109 741.7926
477.9930 733.9860
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1239.737 16.57532
1240.219 16.80849
1240.702 23.27310
1241.184 23.08253
1241.666 18.40474
1242.148 11.90224
1242.630 6.270920
1243.112 9.356064
1243.594 23.67825
1244.076 33.09386
1244.558 21.96950
1245.041 12.01520
1245.523 17.55058
1246.005 25.15318
1246.487 24.67397
1246.969 19.96973
1247.451 15.33699
1247.933 11.79247
1248.415 14.51671
1248.897 31.26740
1249.380 35.17557
1249.862 16.44972
1250.344 6.835358
1250.826 18.18329
1251.308 29.29611
1251.790 27.19511
1252.272 17.94130
1252.754 11.48575
1253.237 7.931717
1253.719 9.210907
1254.201 14.50980
1254.683 16.10715
1255.165 13.52531
1255.647 8.823685
1256.129 3.057404
1256.611 0.8036650
1257.094 0.7836610
1257.576 2.986633
1258.058 12.17329
1258.540 23.45535
1259.022 36.30692
1259.504 46.28392
1259.986 43.20758
1260.468 31.69543
1260.950 28.79649
1261.432 40.65080
1261.915 45.94916
1262.397 33.21475
1262.879 20.33682
1263.361 5.001114
1263.843 7.2600998E-02
1264.325 0.0000000E+00
