#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:31 +0300 (Thu, 24 May 2018) $
#$Revision: 737 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000241.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_1000241
loop_
_publ_author_name
'Lam, A. E.'
'Groat, L. A.'
'Ercit, T. S.'
_publ_section_title
;
 The crystal structure of dugganite, Pb3Zn3TeAs2O14
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              823
_journal_page_last               830
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        R060498
_chemical_formula_sum            'As6 O18 Pb3 Te Zn3'
_chemical_name_mineral           Dugganite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.460
_cell_length_b                   8.460
_cell_length_c                   5.206
_cell_volume                     322.683
_exptl_crystal_density_diffrn    8.660
_cod_original_formula_sum        'Te As6 Pb3 Zn3 O18'
_cod_database_code               9004474
_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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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            R060498.rod
_rod_data_source.block           3500000
_rod_database.code               1000241
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 9004474 COD http://www.crystallography.net/cod/9004474.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
89.78320 0.0000000E+00
90.26532 213.6816
90.74744 385.0244
91.22955 478.8877
91.71167 528.6064
92.19379 563.4385
92.67590 580.3936
93.15802 582.6982
93.64014 576.4873
94.12225 559.1572
94.60437 535.4131
95.08649 509.6230
95.56860 478.6748
96.05072 455.6274
96.53284 463.2339
97.01495 502.5078
97.49707 529.1909
97.97919 524.0527
98.46130 477.7505
98.94342 412.8091
99.42554 343.6973
99.90765 285.7046
100.3898 243.8745
100.8719 208.7739
101.3540 167.5654
101.8361 117.7661
102.3182 69.52930
102.8004 27.51807
103.2825 6.943359
103.7646 32.04297
104.2467 47.00586
104.7288 52.94385
105.2109 52.72656
105.6931 48.45996
106.1752 35.12256
106.6573 9.969238
107.1394 32.16113
107.6215 77.41602
108.1036 131.1914
108.5858 190.3008
109.0679 235.4424
109.5500 254.9048
110.0321 270.0630
110.5142 292.2109
110.9963 327.5132
111.4785 363.0845
111.9606 396.8218
112.4427 428.9131
112.9248 463.3486
113.4069 503.3169
113.8890 544.5093
114.3712 583.8745
114.8533 617.6523
115.3354 652.1333
115.8175 691.8389
116.2996 738.3760
116.7817 777.7705
117.2639 801.6899
117.7460 816.9824
118.2281 832.2832
118.7102 853.9658
119.1923 874.7534
119.6744 888.5820
120.1566 893.0967
120.6387 897.7974
121.1208 908.7642
121.6029 923.8628
122.0850 938.9976
122.5671 947.7461
123.0493 956.9185
123.5314 975.4067
124.0135 1008.197
124.4956 1040.790
124.9777 1058.078
125.4598 1062.448
125.9420 1063.232
126.4241 1065.519
126.9062 1068.292
127.3883 1069.481
127.8704 1067.519
128.3525 1065.263
128.8347 1067.352
129.3168 1073.603
129.7989 1081.213
130.2810 1089.916
130.7631 1098.691
131.2452 1103.223
131.7274 1101.272
132.2095 1095.027
132.6916 1090.551
133.1737 1088.144
133.6558 1085.465
134.1379 1079.180
134.6201 1069.484
135.1022 1061.501
135.5843 1057.927
136.0664 1057.801
136.5485 1053.492
137.0306 1043.724
137.5128 1032.632
137.9949 1024.734
138.4770 1020.343
138.9591 1017.056
139.4412 1014.418
139.9233 1012.581
140.4055 1008.665
140.8876 1002.974
141.3697 994.6528
141.8518 981.3672
142.3339 960.6812
142.8160 940.1079
143.2982 921.6108
143.7803 904.4546
144.2624 892.9912
144.7445 890.6577
145.2266 892.9131
145.7087 889.7349
146.1909 877.7573
146.6730 864.7524
147.1551 853.1943
147.6372 852.9253
148.1193 855.3784
148.6014 861.5786
149.0836 870.4526
149.5657 878.0430
150.0478 881.9111
150.5299 886.6357
151.0120 894.1807
151.4941 907.3291
151.9763 919.7324
152.4584 932.7710
152.9405 945.5718
153.4226 953.6582
153.9047 951.7656
154.3868 947.8398
154.8690 946.2500
155.3511 951.5483
155.8332 954.9648
156.3153 955.6562
156.7974 953.8076
157.2795 949.7495
157.7617 942.3135
158.2438 933.5459
158.7259 924.9092
159.2080 915.5796
159.6901 907.3408
160.1722 901.7539
160.6544 898.4805
161.1365 892.8540
161.6186 883.0537
162.1007 871.1724
162.5828 858.9072
163.0649 846.9028
163.5471 835.2808
164.0292 824.9385
164.5113 816.5449
164.9934 808.4888
165.4755 798.3276
165.9576 787.0405
166.4398 775.9707
166.9219 766.1567
167.4040 755.6812
167.8861 742.6704
168.3682 726.8018
168.8503 711.9844
169.3325 702.2744
169.8146 695.0674
170.2967 686.3877
170.7788 673.6147
171.2609 659.0239
171.7430 645.3047
172.2252 632.8101
172.7073 618.9673
173.1894 601.6958
173.6715 581.1729
174.1536 558.8774
174.6357 534.0132
175.1179 507.8799
175.6000 481.9819
176.0821 456.8232
176.5642 431.4380
177.0463 405.6729
177.5284 379.0229
178.0106 350.5132
178.4927 316.5200
178.9748 280.8569
179.4569 251.3672
179.9390 229.1938
180.4211 210.5264
180.9033 190.6729
181.3854 169.9619
181.8675 150.5361
182.3496 134.0347
182.8317 119.7139
183.3138 104.0640
183.7960 86.27930
184.2781 68.91406
184.7602 56.22559
185.2423 47.73535
185.7244 41.12354
186.2065 35.30420
186.6887 30.13037
187.1708 24.77197
187.6529 18.81836
188.1350 13.20605
188.6171 9.716309
189.0992 8.237305
189.5814 8.314941
190.0635 10.58057
190.5456 14.58398
191.0277 17.59521
191.5098 19.49219
191.9919 20.01123
192.4741 17.54346
192.9562 11.93311
193.4383 7.463867
193.9204 8.299316
194.4025 14.03271
194.8846 17.44775
195.3668 17.01074
195.8489 14.54004
196.3310 15.12598
196.8131 19.27783
197.2952 22.34814
197.7773 20.20068
198.2595 12.68701
198.7416 6.749512
199.2237 3.633301
199.7058 2.384277
200.1879 0.5200200
200.6700 2.118164
201.1522 4.665527
201.6343 6.136719
202.1164 6.274414
202.5985 8.107422
203.0806 12.63086
203.5627 18.63721
204.0449 22.00928
204.5270 22.25342
205.0091 21.36914
205.4912 21.29834
205.9733 22.72461
206.4554 21.72754
206.9376 16.65479
207.4197 8.985840
207.9018 4.925293
208.3839 5.676270
208.8660 6.536621
209.3481 3.946777
209.8303 2.906738
210.3124 8.390137
210.7945 11.57861
211.2766 13.39795
211.7587 17.11230
212.2408 23.08643
212.7230 30.02393
213.2051 37.19238
213.6872 44.54492
214.1693 52.20947
214.6514 60.12744
215.1335 68.21338
215.6157 76.28564
216.0978 84.53125
216.5799 92.12061
217.0620 98.17871
217.5441 101.6460
218.0262 106.6689
218.5084 114.3306
218.9905 123.8662
219.4726 131.4575
219.9547 136.8315
220.4368 140.9995
220.9189 144.1748
221.4011 145.1299
221.8832 148.8921
222.3653 157.2764
222.8474 168.9229
223.3295 177.5381
223.8116 181.8677
224.2938 185.0488
224.7759 188.8301
225.2580 193.2178
225.7401 198.2505
226.2222 204.4556
226.7043 211.2510
227.1865 216.3584
227.6686 219.4834
228.1507 221.1514
228.6328 221.4512
229.1149 219.5542
229.5970 218.3633
230.0792 218.6128
230.5613 219.7612
231.0434 219.5425
231.5255 217.1777
232.0076 214.8403
232.4897 214.0552
232.9719 216.3799
233.4540 216.8599
233.9361 214.1162
234.4182 209.9761
234.9003 210.1743
235.3824 217.3081
235.8646 224.1890
236.3467 227.0566
236.8288 223.0254
237.3109 221.5449
237.7930 223.3882
238.2751 227.3618
238.7573 230.4175
239.2394 232.0659
239.7215 233.7192
240.2036 235.9404
240.6857 239.4658
241.1678 241.2402
241.6500 241.4014
242.1321 239.8076
242.6142 235.4414
243.0963 225.6958
243.5784 216.8389
244.0605 212.0005
244.5427 213.6763
245.0248 212.4194
245.5069 207.8232
245.9890 200.8379
246.4711 193.5469
246.9532 186.2749
247.4354 178.6006
247.9175 170.4570
248.3996 161.6865
248.8817 153.1230
249.3638 144.7144
249.8459 136.6333
250.3281 129.3174
250.8102 123.4082
251.2923 117.3423
251.7744 110.5156
252.2565 102.8794
252.7386 95.11670
253.2208 86.45947
253.7029 78.22070
254.1850 72.58789
254.6671 70.94922
255.1492 69.04688
255.6313 65.12061
256.1135 58.50098
256.5956 53.95752
257.0777 52.61719
257.5598 52.15576
258.0419 49.14502
258.5240 42.05322
259.0062 35.75537
259.4883 32.11670
259.9704 31.54492
260.4525 28.21631
260.9346 20.71777
261.4167 12.11621
261.8989 5.905762
262.3810 2.391113
262.8631 1.300293
263.3452 3.665039
263.8273 9.519043
264.3094 12.23047
264.7916 11.32373
265.2737 8.719727
265.7558 5.506348
266.2379 0.7680660
266.7200 1.479980
267.2021 0.5332030
267.6843 6.216309
268.1664 9.050293
268.6485 7.863281
269.1306 6.101563
269.6127 6.581055
270.0948 9.477051
270.5770 13.48828
271.0591 18.55371
271.5412 24.38623
272.0233 29.99805
272.5054 35.08154
272.9875 40.28809
273.4697 46.61475
273.9518 54.62305
274.4339 59.80908
274.9160 60.36182
275.3981 58.50635
275.8802 61.61182
276.3624 70.69531
276.8445 80.84131
277.3266 89.39453
277.8087 96.37891
278.2908 101.6904
278.7729 105.1963
279.2551 107.2461
279.7372 108.0923
280.2193 107.5195
280.7014 107.4663
281.1835 109.9551
281.6656 114.9111
282.1478 116.6025
282.6299 114.4199
283.1120 109.6626
283.5941 103.4092
284.0762 95.46973
284.5583 89.43018
285.0405 88.37793
285.5226 91.51562
286.0047 91.48828
286.4868 88.06348
286.9689 82.06982
287.4510 73.40381
287.9332 62.23389
288.4153 52.31885
288.8974 45.83496
289.3795 41.86523
289.8616 37.68408
290.3438 33.39941
290.8259 28.04932
291.3080 19.08252
291.7901 7.424316
292.2722 1.688477
292.7543 5.511719
293.2365 6.089355
293.7186 8.286133
294.2007 12.12500
294.6828 15.69092
295.1649 16.55273
295.6470 15.60352
296.1292 15.95117
296.6113 19.11768
297.0934 23.16699
297.5755 24.90918
298.0576 24.48145
298.5397 23.50830
299.0219 23.47852
299.5040 23.68555
299.9861 22.75635
300.4682 20.51123
300.9503 16.74121
301.4324 10.55420
301.9146 2.346191
302.3967 6.409180
302.8788 14.13281
303.3609 22.02930
303.8430 32.04199
304.3251 44.91309
304.8073 58.02344
305.2894 68.26855
305.7715 76.73535
306.2536 86.50537
306.7357 99.91602
307.2178 114.7900
307.7000 128.3408
308.1821 140.0737
308.6642 152.4712
309.1463 167.1514
309.6284 183.5508
310.1105 201.1079
310.5927 220.1304
311.0748 239.4834
311.5569 258.4375
312.0390 277.0054
312.5211 296.1079
313.0032 317.8306
313.4854 340.1196
313.9675 360.4648
314.4496 373.7329
314.9317 388.8794
315.4138 412.2891
315.8959 442.5537
316.3781 471.4863
316.8602 495.4482
317.3423 516.5894
317.8244 536.1582
318.3065 552.3452
318.7886 569.9409
319.2708 590.9014
319.7529 614.3472
320.2350 638.0444
320.7171 664.0000
321.1992 687.9150
321.6813 707.1084
322.1635 719.0088
322.6456 730.5879
323.1277 743.9243
323.6098 757.4692
324.0919 768.7227
324.5740 775.4248
325.0562 781.6001
325.5383 789.3491
326.0204 800.0581
326.5025 806.1206
326.9846 805.3945
327.4667 800.5850
327.9489 794.5674
328.4310 784.8843
328.9131 776.9688
329.3952 772.9907
329.8773 773.1816
330.3594 769.7285
330.8416 759.6816
331.3237 748.5708
331.8058 740.3950
332.2879 737.1030
332.7700 733.3154
333.2521 727.0205
333.7343 719.3672
334.2164 717.4932
334.6985 725.1035
335.1806 732.8584
335.6627 735.1567
336.1448 729.0503
336.6270 725.4849
337.1091 724.4209
337.5912 726.1763
338.0733 732.8906
338.5554 746.7422
339.0375 758.4761
339.5197 762.9927
340.0018 759.6060
340.4839 761.1431
340.9660 768.3892
341.4481 778.6011
341.9302 788.7021
342.4124 798.8818
342.8945 807.5093
343.3766 813.3936
343.8587 817.3535
344.3408 823.9644
344.8229 833.4092
345.3051 843.7476
345.7872 855.0342
346.2693 866.4595
346.7514 872.3916
347.2335 870.0835
347.7156 863.7324
348.1978 861.6968
348.6799 863.6880
349.1620 865.3350
349.6441 863.7720
350.1262 859.4956
350.6083 853.7993
351.0905 846.7861
351.5726 839.4316
352.0547 833.4819
352.5368 828.2334
353.0189 821.6802
353.5010 812.6494
353.9832 801.7925
354.4653 789.8936
354.9474 776.8828
355.4295 762.3818
355.9116 745.4902
356.3937 727.0386
356.8759 708.3506
357.3580 689.4014
357.8401 670.7109
358.3222 653.7642
358.8043 638.0322
359.2864 620.4790
359.7686 596.7959
360.2507 572.0332
360.7328 550.8242
361.2149 536.3989
361.6970 521.4116
362.1791 501.5757
362.6613 478.7715
363.1434 457.3955
363.6255 440.6748
364.1076 424.1069
364.5897 405.3335
365.0718 383.7817
365.5540 362.0859
366.0361 339.6187
366.5182 317.6128
367.0003 297.5664
367.4824 282.4683
367.9645 266.5718
368.4467 248.0898
368.9288 227.1660
369.4109 207.5605
369.8930 189.5405
370.3751 172.8281
370.8572 157.1655
371.3394 142.1807
371.8215 129.3550
372.3036 119.8604
372.7857 112.5757
373.2678 103.0913
373.7499 89.40283
374.2321 76.79541
374.7142 67.82031
375.1963 62.94727
375.6784 59.20166
376.1605 56.24268
376.6426 54.73389
377.1248 57.08350
377.6069 64.60645
378.0890 68.21680
378.5711 63.81104
379.0532 52.55371
379.5353 42.62451
380.0175 33.96289
380.4996 26.76709
380.9817 21.51611
381.4638 18.07324
381.9459 15.12061
382.4280 12.21924
382.9102 9.867188
383.3923 9.479004
383.8744 10.84375
384.3565 11.97998
384.8386 11.04443
385.3207 9.006836
385.8029 7.918945
386.2850 8.114258
386.7671 8.560547
387.2492 8.736328
387.7313 8.401855
388.2134 6.941406
388.6956 3.369141
389.1777 0.9228520
389.6598 5.411621
390.1419 9.885742
390.6240 12.34473
391.1061 8.623047
391.5883 3.365234
392.0704 1.653809
392.5525 7.871582
393.0346 13.58643
393.5167 15.08496
393.9988 13.06543
394.4810 9.560547
394.9631 4.413574
395.4452 1.377930
395.9273 7.398438
396.4094 13.69434
396.8915 19.87158
397.3737 24.97168
397.8558 30.11816
398.3379 36.68066
398.8200 48.18066
399.3021 57.29541
399.7842 60.91895
400.2664 59.02588
400.7485 61.22705
401.2306 69.34180
401.7127 79.54541
402.1948 89.62402
402.6769 100.1152
403.1591 109.2188
403.6412 117.0811
404.1233 123.3188
404.6054 126.8613
405.0875 126.7925
405.5696 126.6143
406.0518 127.8457
406.5339 130.5830
407.0160 133.1025
407.4981 135.1787
407.9802 137.8740
408.4623 143.3965
408.9445 151.7549
409.4266 157.7163
409.9087 158.6504
410.3908 157.5464
410.8729 161.9053
411.3550 171.6846
411.8372 182.3271
412.3193 192.9634
412.8014 201.9746
413.2835 203.7720
413.7656 195.6519
414.2477 188.1855
414.7299 196.3921
415.2120 214.3032
415.6941 227.3931
416.1762 221.9634
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