#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:37:09 +0300 (Thu, 26 Apr 2018) $
#$Revision: 510 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000062.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_1000062
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 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            R060498.rod
_rod_data_source.block           3500000
_rod_database.code               1000062
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
93.97052 0.0000000E+00
94.45264 11.77100
94.93475 14.20215
95.41687 16.82788
95.89898 21.85767
96.38110 29.79175
96.86321 38.33618
97.34533 42.17993
97.82745 36.21338
98.30956 30.74878
98.79168 23.33008
99.27380 21.25488
99.75591 24.37183
100.2380 26.69946
100.7201 27.60986
101.2023 22.68652
101.6844 15.59546
102.1665 10.69775
102.6486 10.74219
103.1307 11.04419
103.6128 8.573242
104.0950 3.140869
104.5771 1.432129
105.0592 2.698242
105.5413 1.867188
106.0234 0.5339360
106.5055 0.5666500
106.9877 0.9772950
107.4698 1.981689
107.9519 11.00073
108.4340 18.58447
108.9161 22.62744
109.3982 23.35010
109.8804 21.15479
110.3625 15.63135
110.8446 5.425537
111.3267 0.2724610
111.8088 0.9479980
112.2909 3.885254
112.7731 6.616943
113.2552 8.721680
113.7373 10.61597
114.2194 12.82471
114.7015 15.36719
115.1836 18.05493
115.6658 22.14771
116.1479 25.91016
116.6300 27.37427
117.1121 25.79712
117.5942 22.37671
118.0763 20.14990
118.5584 19.75391
119.0406 19.00537
119.5227 16.58301
120.0048 13.18677
120.4869 10.69385
120.9690 9.916504
121.4511 10.84912
121.9333 12.97241
122.4154 16.92480
122.8975 20.79810
123.3796 22.84204
123.8617 22.78687
124.3438 22.99268
124.8260 25.84985
125.3081 29.17212
125.7902 30.83325
126.2723 29.85034
126.7544 27.16162
127.2365 24.85596
127.7187 22.49463
128.2008 21.35840
128.6829 21.98364
129.1650 23.73022
129.6471 25.86475
130.1292 27.99585
130.6114 30.08667
131.0935 31.83301
131.5756 33.50220
132.0577 34.59253
132.5398 34.68726
133.0219 34.04028
133.5041 33.21704
133.9862 32.62842
134.4683 32.31445
134.9504 32.58447
135.4325 34.06714
135.9146 35.48535
136.3968 35.78516
136.8789 34.91235
137.3610 33.94727
137.8431 34.38867
138.3252 36.92871
138.8073 38.81616
139.2895 38.87158
139.7716 38.34009
140.2537 38.68628
140.7358 40.40430
141.2179 41.56079
141.7000 40.05103
142.1821 36.38745
142.6643 33.12964
143.1464 31.05908
143.6285 30.01440
144.1106 29.24365
144.5927 28.65942
145.0748 28.21387
145.5570 28.04395
146.0391 28.23047
146.5212 28.41992
147.0033 28.23926
147.4854 27.73340
147.9675 26.99658
148.4497 25.89868
148.9318 24.52637
149.4139 22.64380
149.8960 20.24121
150.3781 18.09497
150.8602 17.77197
151.3424 20.57935
151.8245 25.08789
152.3066 27.19141
152.7887 28.57104
153.2708 30.57007
153.7529 33.71338
154.2351 37.47974
154.7172 40.60742
155.1993 42.78979
155.6814 44.64648
156.1635 46.29663
156.6456 47.58325
157.1278 48.26904
157.6099 48.22949
158.0920 47.66333
158.5741 47.30615
159.0562 47.72290
159.5383 47.62476
160.0205 46.24194
160.5026 44.10742
160.9847 42.32520
161.4668 41.43579
161.9489 41.45068
162.4310 42.20874
162.9131 44.85840
163.3953 47.43433
163.8774 48.83545
164.3595 49.03174
164.8416 48.47754
165.3237 47.19360
165.8058 45.60303
166.2880 44.58472
166.7701 44.58154
167.2522 44.82275
167.7343 44.45386
168.2164 43.37402
168.6985 41.98853
169.1807 40.33911
169.6628 38.76074
170.1449 37.51318
170.6270 36.83252
171.1091 36.43677
171.5912 35.62524
172.0734 34.08276
172.5555 32.72412
173.0376 32.51416
173.5197 32.58057
174.0018 31.43335
174.4839 27.78540
174.9661 22.26929
175.4482 18.99438
175.9303 20.81104
176.4124 21.79956
176.8945 19.75879
177.3766 15.80200
177.8588 12.05835
178.3409 10.11035
178.8230 9.983887
179.3051 9.508789
179.7872 8.886597
180.2693 7.752563
180.7515 5.568848
181.2336 2.660645
181.7157 0.1754150
182.1978 2.336426
182.6799 3.850586
183.1620 4.104614
183.6441 2.161621
184.1263 0.1358640
184.6084 1.110352
185.0905 1.492188
185.5726 1.157959
186.0547 9.2162997E-02
186.5368 1.856445
187.0190 2.835571
187.5011 2.105591
187.9832 0.9392090
188.4653 0.1501460
188.9474 0.1687010
189.4296 0.1269530
189.9117 0.3964840
190.3938 1.350220
190.8759 1.687866
191.3580 1.238892
191.8401 0.1197510
192.3223 2.037354
192.8044 5.573364
193.2865 8.517578
193.7686 7.896118
194.2507 4.822754
194.7328 2.704468
195.2150 3.222900
195.6971 5.270142
196.1792 6.761353
196.6613 7.587524
197.1434 7.647461
197.6255 6.250366
198.1077 3.972778
198.5898 2.424683
199.0719 2.953003
199.5540 4.988281
200.0361 6.089722
200.5182 5.553711
201.0004 4.971313
201.4825 5.018799
201.9646 5.674927
202.4467 6.913086
202.9288 9.300049
203.4109 12.69678
203.8930 14.27209
204.3752 11.63892
204.8573 9.608032
205.3394 10.54907
205.8215 13.61340
206.3036 16.59265
206.7857 17.64722
207.2679 16.66858
207.7500 16.09351
208.2321 15.57397
208.7142 15.73767
209.1963 17.47424
209.6784 20.27612
210.1606 22.82312
210.6427 23.60754
211.1248 22.10791
211.6069 21.58765
212.0890 22.08691
212.5711 23.45227
213.0533 26.24768
213.5354 30.01758
214.0175 33.59705
214.4996 35.94885
214.9817 36.94763
215.4638 37.21008
215.9460 35.48425
216.4281 34.28162
216.9102 35.26221
217.3923 38.14380
217.8744 41.26221
218.3565 43.13184
218.8387 43.58765
219.3208 43.93384
219.8029 43.92664
220.2850 44.02820
220.7671 44.36597
221.2492 44.99744
221.7314 46.23889
222.2135 48.67676
222.6956 52.35962
223.1777 54.42981
223.6598 53.33521
224.1419 51.78027
224.6240 52.01453
225.1062 54.09094
225.5883 56.22229
226.0704 56.76270
226.5525 55.95007
227.0346 55.95520
227.5167 58.02051
227.9989 60.28857
228.4810 60.71155
228.9631 59.14270
229.4452 57.70093
229.9273 58.34058
230.4094 60.30859
230.8916 61.48779
231.3737 60.81055
231.8558 59.59033
232.3379 59.55139
232.8200 60.90613
233.3021 61.87927
233.7843 60.94580
234.2664 58.96362
234.7485 57.09595
235.2306 55.25623
235.7127 53.96338
236.1948 54.34436
236.6770 56.94214
237.1591 59.00745
237.6412 58.39526
238.1233 56.67346
238.6054 55.56616
239.0875 55.83313
239.5697 56.54321
240.0518 56.21118
240.5339 54.68848
241.0160 52.79858
241.4981 50.45129
241.9802 48.25940
242.4624 46.86108
242.9445 46.59729
243.4266 46.74268
243.9087 45.99829
244.3908 43.96069
244.8729 41.83069
245.3550 39.65588
245.8372 37.84473
246.3193 36.80432
246.8014 36.66016
247.2835 36.99487
247.7656 37.26855
248.2477 37.91235
248.7299 37.28882
249.2120 33.97864
249.6941 30.24182
250.1762 27.96497
250.6583 27.66187
251.1404 28.14124
251.6226 27.31726
252.1047 24.49963
252.5868 21.88269
253.0689 19.62915
253.5510 17.69910
254.0331 16.13733
254.5153 14.92651
254.9974 13.84644
255.4795 12.47168
255.9616 10.37598
256.4437 8.969116
256.9258 8.893555
257.4080 8.993530
257.8901 8.348389
258.3722 6.861206
258.8543 5.246826
259.3364 4.637329
259.8185 6.054077
260.3007 5.810791
260.7828 2.410767
261.2649 1.143555
261.7470 3.086792
262.2291 3.233521
262.7112 2.338135
263.1934 1.117065
263.6755 0.8129880
264.1576 1.596924
264.6397 0.3659670
265.1218 1.075073
265.6039 1.620483
266.0861 1.315918
266.5682 1.061401
267.0503 1.911255
267.5324 4.340210
268.0145 4.547363
268.4966 0.4306640
268.9788 3.504883
269.4609 4.981689
269.9430 4.208008
270.4251 2.623657
270.9072 1.285522
271.3893 0.2006840
271.8715 0.2596440
272.3536 0.3673100
272.8357 1.005981
273.3178 1.040771
273.7999 0.6711430
274.2820 0.5740970
274.7642 1.260376
275.2463 2.650024
275.7284 3.621216
276.2105 4.210449
276.6926 4.445068
277.1747 3.865601
277.6568 2.920532
278.1389 2.703613
278.6211 3.934448
279.1032 6.161499
279.5853 7.399536
280.0674 7.093262
280.5495 6.702759
281.0316 6.620117
281.5138 6.680298
281.9959 6.442261
282.4780 5.622314
282.9601 4.715454
283.4422 5.200562
283.9243 8.234009
284.4065 10.30334
284.8886 10.36548
285.3707 9.131592
285.8528 7.429932
286.3349 5.446899
286.8170 3.566406
287.2992 2.476074
287.7813 2.326416
288.2634 2.366455
288.7455 2.589111
289.2276 2.904541
289.7097 3.263550
290.1919 3.661499
290.6740 3.950562
291.1561 3.925659
291.6382 3.561035
292.1203 3.042603
292.6024 2.135376
293.0846 1.217651
293.5667 0.6311040
294.0488 0.4162600
294.5309 0.5159910
295.0130 1.014282
295.4951 1.900269
295.9773 2.371094
296.4594 1.684937
296.9415 1.077759
297.4236 1.836060
297.9057 3.861450
298.3878 5.615479
298.8700 5.900146
299.3521 4.921021
299.8342 4.439941
300.3163 4.687012
300.7984 5.202026
301.2805 5.990601
301.7627 6.916138
302.2448 7.260986
302.7269 6.335571
303.2090 4.819702
303.6911 4.736328
304.1732 6.807495
304.6554 8.983643
305.1375 10.43237
305.6196 11.30737
306.1017 11.93115
306.5838 12.34387
307.0659 12.72449
307.5481 13.40820
308.0302 14.38586
308.5123 15.60437
308.9944 17.35693
309.4765 19.27490
309.9586 20.45044
310.4408 20.44922
310.9229 20.54919
311.4050 22.92419
311.8871 27.67578
312.3692 31.43384
312.8513 32.46155
313.3335 32.63379
313.8156 34.22363
314.2977 37.57849
314.7798 41.62036
315.2619 45.59302
315.7440 49.45972
316.2262 52.89673
316.7083 56.12244
317.1904 58.72803
317.6725 59.65247
318.1546 59.08521
318.6367 59.62244
319.1188 63.52832
319.6010 69.86487
320.0831 74.15442
320.5652 75.21497
321.0473 75.63330
321.5294 76.69067
322.0115 78.19727
322.4937 79.62610
322.9758 80.66382
323.4579 81.50220
323.9400 82.67053
324.4221 84.53760
324.9042 85.88257
325.3864 85.81543
325.8685 85.03638
326.3506 85.05786
326.8327 86.27930
327.3148 87.57996
327.7969 86.88916
328.2791 83.78345
328.7612 81.53503
329.2433 81.60278
329.7254 82.44531
330.2075 82.24438
330.6896 80.67285
331.1718 78.67334
331.6539 77.05127
332.1360 75.78442
332.6181 74.95398
333.1002 74.66675
333.5823 74.75183
334.0645 75.27917
334.5466 76.14624
335.0287 76.75769
335.5108 76.55774
335.9929 75.74084
336.4750 75.72693
336.9572 77.48499
337.4393 78.92310
337.9214 78.76770
338.4035 77.59338
338.8856 76.82336
339.3677 77.16162
339.8499 78.18567
340.3320 78.75183
340.8141 78.47217
341.2962 78.56421
341.7783 79.37817
342.2604 80.55994
342.7426 81.89624
343.2247 83.37463
343.7068 84.55103
344.1889 84.50562
344.6710 82.19312
345.1531 81.44739
345.6353 83.61707
346.1174 86.59509
346.5995 88.94617
347.0816 90.46851
347.5637 91.50134
348.0458 92.34460
348.5280 93.00720
349.0101 93.03076
349.4922 91.93274
349.9743 90.80554
350.4564 90.09167
350.9385 89.73608
351.4207 89.60095
351.9028 89.64807
352.3849 89.72754
352.8670 89.07324
353.3491 86.49487
353.8312 84.67554
354.3134 84.24536
354.7955 84.62000
355.2776 85.40686
355.7597 86.42822
356.2418 87.12207
356.7239 86.45935
357.2061 83.42957
357.6882 81.02893
358.1703 79.95837
358.6524 78.92737
359.1345 76.91870
359.6166 73.93909
360.0987 70.77515
360.5808 68.12830
361.0630 65.99548
361.5451 64.36829
362.0272 64.02588
362.5093 63.35730
362.9914 61.67004
363.4735 59.26404
363.9557 56.81738
364.4378 54.74707
364.9199 52.91321
365.4020 50.65869
365.8841 47.25977
366.3662 44.47925
366.8484 42.55139
367.3305 41.30286
367.8126 40.98279
368.2947 41.55640
368.7768 41.96887
369.2589 40.08191
369.7411 34.08252
370.2232 30.82898
370.7053 33.84534
371.1874 36.71338
371.6695 35.58826
372.1516 30.81506
372.6338 25.42261
373.1159 21.95691
373.5980 20.37622
374.0801 19.21729
374.5622 18.49841
375.0443 18.23145
375.5265 19.15649
376.0086 20.33923
376.4907 20.21521
376.9728 17.79517
377.4549 14.18298
377.9370 11.87720
378.4192 11.31311
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379.3834 9.598755
379.8655 8.508911
380.3476 8.587158
380.8297 10.01367
381.3119 11.43262
381.7940 11.33582
382.2761 9.758301
382.7582 8.314087
383.2403 7.218750
383.7224 6.310547
384.2046 5.563477
384.6867 4.917847
385.1688 4.122925
385.6509 2.627930
386.1330 0.9693600
386.6151 0.6818850
387.0973 2.262939
387.5794 3.391602
388.0615 1.945313
388.5436 0.5970460
389.0257 2.171509
389.5078 2.314819
389.9900 1.578735
390.4721 0.1691890
390.9542 1.826172
391.4363 3.773560
391.9184 5.626953
392.4005 7.116211
392.8827 7.977539
393.3648 8.261719
393.8469 7.854004
394.3290 6.104248
394.8111 3.842407
395.2932 2.477295
395.7754 2.250366
396.2575 2.424194
396.7396 2.554077
397.2217 2.579468
397.7038 2.067139
398.1859 0.3375240
398.6681 1.359009
399.1501 2.019165
399.6323 1.903564
400.1144 2.129028
400.5965 3.424316
401.0786 5.150391
401.5607 5.296509
402.0428 2.939087
402.5250 0.9158940
403.0071 0.2386470
403.4892 0.8171390
403.9713 0.8898930
404.4534 0.5404050
404.9355 0.4357910
405.4177 1.540283
405.8998 4.385742
406.3819 5.610840
406.8640 4.156128
407.3461 2.322266
407.8282 0.8881840
408.3104 5.2490002E-03
408.7925 0.1790770
409.2746 0.4967040
409.7567 1.765381
410.2388 2.368896
410.7209 1.307617
411.2031 0.8752440
411.6852 1.648560
412.1673 2.904175
412.6494 4.019653
413.1315 4.804077
413.6136 5.378296
414.0958 6.015503
414.5779 6.979614
415.0600 6.944580
415.5421 4.665405
416.0242 2.531128
416.5063 1.446045
416.9885 1.264648
417.4706 1.433105
417.9527 1.497314
418.4348 1.735596
418.9169 3.373779
419.3990 7.455688
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