#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:17 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1046 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000497.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_1000497
loop_
_publ_author_name
Kharisun
'Taylor, M. R.'
'Bevan, D. J. M.'
'Pring, A.'
_publ_section_title
;
 The crystal structure of carminite: refinement and bond valence
 calculations Locality: Broken Hill, NSW, Australia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              805
_journal_page_last               811
_journal_paper_doi               10.1180/minmag.1996.060.402.11
_journal_volume                  60
_journal_year                    1996
_chemical_compound_source        R050528
_chemical_formula_sum            'As2 Fe2 H2 O10 Pb'
_chemical_name_mineral           Carminite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.591
_cell_length_b                   7.580
_cell_length_c                   12.285
_cell_volume                     1544.959
_exptl_crystal_density_diffrn    5.423
_cod_original_formula_sum        'Pb Fe2 As2 O10 H2'
_cod_database_code               9009500
_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            R050528.rod
_rod_data_source.block           3500000
_rod_database.code               1000497
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 9009500 COD http://www.crystallography.net/cod/9009500.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
136.7272 0.0000000E+00
137.2093 0.5409850
137.6914 0.4134900
138.1735 0.4807280
138.6556 0.8706890
139.1377 1.552132
139.6199 2.170380
140.1020 1.649612
140.5841 1.004456
141.0662 0.2869340
141.5483 0.3204350
142.0304 0.6310650
142.5126 0.7500840
142.9947 0.4080120
143.4768 0.1128310
143.9589 0.5571060
144.4410 1.439102
144.9231 2.861794
145.4053 4.634781
145.8874 6.498482
146.3695 8.249634
146.8516 10.35220
147.3337 12.97255
147.8158 16.52435
148.2980 19.66348
148.7801 22.52988
149.2622 24.99963
149.7443 26.73335
150.2264 27.22173
150.7085 27.48372
151.1907 27.84010
151.6728 28.35044
152.1549 28.86281
152.6370 29.30307
153.1191 29.73641
153.6012 30.31482
154.0834 31.18720
154.5655 32.08829
155.0476 32.97871
155.5297 34.78854
156.0118 35.29564
156.4939 33.69014
156.9761 30.44556
157.4582 27.16030
157.9403 23.96410
158.4224 20.97019
158.9045 18.21953
159.3866 15.42297
159.8688 13.24318
160.3509 11.92652
160.8330 11.40740
161.3151 11.40479
161.7972 12.15621
162.2793 13.20458
162.7615 14.20331
163.2436 15.15768
163.7257 15.95026
164.2078 16.71075
164.6899 17.37447
165.1720 17.45976
165.6541 16.51852
166.1363 14.96609
166.6184 13.21599
167.1005 10.95045
167.5826 8.885826
168.0647 7.445023
168.5468 6.605682
169.0290 6.106911
169.5111 5.779373
169.9932 5.694000
170.4753 5.946625
170.9574 6.634308
171.4395 7.630707
171.9217 8.893600
172.4038 10.42050
172.8859 12.05904
173.3680 13.63526
173.8501 15.24226
174.3322 17.07201
174.8144 19.52184
175.2965 22.10770
175.7786 24.18978
176.2607 25.77457
176.7428 27.06854
177.2249 28.38633
177.7071 29.56614
178.1892 30.24062
178.6713 30.22511
179.1534 29.60178
179.6355 28.36110
180.1176 26.43575
180.5998 24.37747
181.0819 22.48347
181.5640 20.85744
182.0461 19.80328
182.5282 19.80630
183.0103 20.46136
183.4925 20.78773
183.9746 20.68335
184.4567 20.59209
184.9388 21.00714
185.4209 21.90575
185.9030 23.13314
186.3852 24.69016
186.8673 26.52498
187.3494 28.44178
187.8315 30.37045
188.3136 32.58658
188.7957 35.76591
189.2779 39.81305
189.7600 43.77032
190.2421 46.67015
190.7242 48.83892
191.2063 52.40697
191.6884 57.69254
192.1706 63.77577
192.6527 69.51125
193.1348 74.86897
193.6169 80.02718
194.0990 85.10046
194.5811 89.91587
195.0633 94.67789
195.5454 99.41135
196.0275 104.0462
196.5096 108.1679
196.9917 111.7326
197.4738 115.3991
197.9560 119.6766
198.4381 124.5526
198.9202 129.0104
199.4023 133.0166
199.8844 136.5373
200.3665 139.3879
200.8487 141.5616
201.3308 143.3363
201.8129 144.8152
202.2950 145.9949
202.7771 146.9404
203.2592 147.6104
203.7414 148.1058
204.2235 148.6239
204.7056 149.1461
205.1877 149.7354
205.6698 150.3768
206.1519 151.0312
206.6341 151.9839
207.1162 153.2790
207.5983 154.8276
208.0804 156.4314
208.5625 158.0553
209.0446 159.7910
209.5268 161.8022
210.0089 164.2609
210.4910 166.1259
210.9731 167.1643
211.4552 167.7456
211.9373 168.9438
212.4195 171.2828
212.9016 172.9269
213.3837 173.0198
213.8658 171.4237
214.3479 168.7090
214.8300 164.6951
215.3121 159.6671
215.7943 154.2131
216.2764 148.2072
216.7585 142.1292
217.2406 136.0981
217.7227 130.1397
218.2048 124.3136
218.6870 118.5403
219.1691 112.9474
219.6512 107.6896
220.1333 102.7404
220.6154 98.14014
221.0975 93.91790
221.5797 90.43306
222.0618 86.36458
222.5439 81.38213
223.0260 75.98864
223.5081 71.14519
223.9902 66.94463
224.4724 63.20618
224.9545 60.00516
225.4366 57.48093
225.9187 54.90799
226.4008 52.00844
226.8829 49.16499
227.3651 47.18738
227.8472 46.24786
228.3293 45.85306
228.8114 45.85907
229.2935 46.36070
229.7757 46.96618
230.2578 47.66315
230.7399 48.45961
231.2220 49.35127
231.7041 50.16495
232.1862 51.36509
232.6684 53.19906
233.1505 55.92051
233.6326 58.40816
234.1147 60.50706
234.5968 62.44750
235.0789 64.62025
235.5611 67.10291
236.0432 69.67889
236.5253 72.34142
237.0074 75.10373
237.4895 77.84549
237.9716 80.64931
238.4538 83.35461
238.9359 85.67897
239.4180 87.40170
239.9001 89.16767
240.3822 91.22527
240.8643 93.67449
241.3465 95.86647
241.8286 97.79705
242.3107 99.48051
242.7928 100.9513
243.2749 102.2907
243.7570 103.2832
244.2392 103.8275
244.7213 103.8639
245.2034 103.7416
245.6855 103.4439
246.1676 102.9793
246.6497 102.3308
247.1319 101.3254
247.6140 100.4636
248.0961 99.82735
248.5782 99.40070
249.0603 99.36832
249.5424 100.0223
250.0246 100.8003
250.5067 101.0201
250.9888 100.2612
251.4709 99.77415
251.9530 99.83358
252.4351 100.4574
252.9173 101.2360
253.3994 102.1862
253.8815 103.2792
254.3636 104.5215
254.8457 106.0244
255.3278 107.4124
255.8100 108.6954
256.2921 109.8668
256.7742 110.5174
257.2563 110.4980
257.7384 110.1643
258.2205 109.8761
258.7026 109.8807
259.1848 109.3043
259.6669 107.9641
260.1490 105.9058
260.6311 103.5761
261.1132 100.8568
261.5953 98.06911
262.0775 95.49686
262.5596 93.17474
263.0417 90.92015
263.5238 88.77887
264.0059 86.68989
264.4880 84.21945
264.9702 81.29784
265.4523 78.15285
265.9344 74.93330
266.4165 71.61045
266.8986 68.19390
267.3807 64.61500
267.8629 60.93739
268.3450 57.36198
268.8271 53.90662
269.3092 50.40062
269.7913 46.56341
270.2734 42.26535
270.7556 38.43298
271.2377 35.13657
271.7198 32.26580
272.2019 29.54746
272.6840 26.99294
273.1661 24.55467
273.6483 22.18018
274.1304 19.85530
274.6125 17.77658
275.0946 15.97387
275.5767 14.40213
276.0588 12.99411
276.5410 11.75802
277.0231 10.65070
277.5052 9.721603
277.9873 8.967758
278.4694 8.122795
278.9515 7.138695
279.4337 6.161087
279.9158 5.438232
280.3979 5.001114
280.8800 4.518326
281.3621 3.839806
281.8442 2.996971
282.3264 2.306267
282.8085 1.768120
283.2906 1.385780
283.7727 1.226784
284.2548 1.294746
284.7369 1.313110
285.2191 1.185436
285.7012 0.9503170
286.1833 0.7398410
286.6654 0.5522730
287.1475 0.4009860
287.6296 0.3454250
288.1118 0.3683510
288.5939 0.2934490
289.0760 4.0828999E-02
289.5581 0.3065760
290.0402 0.5636020
290.5223 0.7315030
291.0045 0.8302800
291.4866 0.8600120
291.9687 0.8310320
292.4508 0.7791020
292.9329 0.6849900
293.4150 0.6107140
293.8972 0.7122540
294.3793 0.9729000
294.8614 1.203671
295.3435 1.222389
295.8256 1.108730
296.3077 1.092777
296.7899 1.218712
297.2720 1.395325
297.7541 1.493004
298.2362 1.527367
298.7183 1.572708
299.2004 1.663399
299.6826 1.793892
300.1647 1.984695
300.6468 2.251213
301.1289 2.486397
301.6110 2.599510
302.0931 2.598026
302.5753 2.506149
303.0574 2.269279
303.5395 1.976242
304.0216 1.754379
304.5037 1.606544
304.9858 1.457722
305.4680 1.225655
305.9501 0.9510040
306.4322 0.7041740
306.9143 0.5114100
307.3964 0.3540420
307.8785 0.2503200
308.3607 0.1884730
308.8428 6.0738001E-02
309.3249 0.2412450
309.8070 0.6363030
310.2891 1.022419
310.7712 1.324993
311.2534 1.675385
311.7355 2.232689
312.2176 2.938683
312.6997 3.561066
313.1818 3.967800
313.6639 4.236572
314.1461 4.383114
314.6282 4.269375
315.1103 4.340023
315.5924 5.101112
316.0745 6.204300
316.5566 6.934052
317.0388 6.698250
317.5209 6.219601
318.0030 5.898991
318.4851 5.817944
318.9672 5.760700
319.4493 5.684830
319.9315 5.582989
320.4136 5.444069
320.8957 5.203911
321.3778 4.982674
321.8599 4.829086
322.3420 4.750790
322.8242 4.677204
323.3063 4.574795
323.7884 4.479473
324.2705 4.422485
324.7526 4.329086
325.2347 4.359158
325.7169 4.557800
326.1990 4.918640
326.6811 5.357059
327.1632 5.930824
327.6453 6.537285
328.1274 7.119518
328.6096 7.702724
329.0917 8.230556
329.5738 8.614487
330.0559 8.928398
330.5380 9.418140
331.0201 10.10137
331.5023 10.94223
331.9844 11.95346
332.4665 13.21730
332.9486 14.42590
333.4307 15.54043
333.9128 16.61390
334.3950 17.68412
334.8771 18.65498
335.3592 19.82732
335.8413 21.34704
336.3234 23.27480
336.8055 24.98182
337.2877 26.34030
337.7698 27.62877
338.2519 29.20197
338.7340 31.12441
339.2161 32.99541
339.6982 34.61844
340.1803 36.10416
340.6624 38.12436
341.1446 40.86292
341.6267 43.60899
342.1088 45.81579
342.5909 47.44137
343.0730 49.20806
343.5551 51.25097
344.0373 53.41935
344.5194 55.25601
345.0015 56.75901
345.4836 58.31251
345.9657 60.29331
346.4478 62.58347
346.9300 64.55226
347.4121 66.17712
347.8942 67.42177
348.3763 68.24738
348.8584 68.70063
349.3405 68.96697
349.8227 69.17371
350.3048 69.21653
350.7869 68.90170
351.2690 68.22752
351.7511 67.20490
352.2332 65.75279
352.7154 63.97852
353.1975 62.10579
353.6796 60.18272
354.1617 58.19563
354.6438 56.04448
355.1259 53.75115
355.6081 51.55290
356.0902 49.69629
356.5723 47.99949
357.0544 46.21477
357.5365 44.26016
358.0186 42.26154
358.5008 40.11633
358.9829 38.00558
359.4650 36.32265
359.9471 35.62643
360.4292 35.15621
360.9113 34.35769
361.3935 33.10728
361.8756 32.10911
362.3577 31.74772
362.8398 31.75587
363.3219 31.83497
363.8040 31.85205
364.2862 31.98207
364.7683 32.38631
365.2504 33.04269
365.7325 33.48802
366.2146 33.33916
366.6967 33.14739
367.1789 33.26299
367.6610 34.02637
368.1431 34.74006
368.6252 35.39507
369.1073 35.97302
369.5894 36.40462
370.0716 36.48608
370.5537 36.63361
371.0358 37.02312
371.5179 37.78062
372.0000 38.39094
372.4821 38.86759
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373.4464 39.22791
373.9285 38.84282
374.4106 38.57109
374.8927 38.55579
375.3748 38.78763
375.8570 38.99489
376.3391 39.12053
376.8212 39.35033
377.3033 39.95908
377.7854 41.03879
378.2675 41.72567
378.7497 41.77278
379.2318 41.48769
379.7139 41.78210
380.1960 42.71564
380.6781 43.49377
381.1602 43.55915
381.6424 43.01925
382.1245 42.50471
382.6066 42.01888
383.0887 41.66478
383.5708 41.71001
384.0529 42.05786
384.5351 42.23396
385.0172 41.94508
385.4993 41.40926
385.9814 41.06750
386.4635 40.90502
386.9456 40.58987
387.4278 39.73928
387.9099 38.58457
388.3920 37.52287
388.8741 36.79747
389.3562 35.94612
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390.3205 32.69305
390.8026 30.60966
391.2847 28.23719
391.7668 25.82192
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392.7310 21.38747
393.2132 19.31592
393.6953 17.24306
394.1774 15.24088
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395.1416 11.65642
395.6237 10.13375
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415.8727 1.088455
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417.3190 2.818153
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418.2832 3.390312
418.7654 4.189522
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426.9613 17.69567
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428.4077 20.58055
428.8898 20.48054
429.3719 20.46184
429.8540 20.74644
430.3362 21.31676
430.8183 22.00654
431.3004 22.86054
431.7825 23.69181
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432.7467 24.81458
433.2289 25.27808
433.7110 25.85056
434.1931 26.24001
434.6752 25.70924
435.1573 24.34039
435.6394 23.04007
436.1216 22.38986
436.6036 22.12006
437.0858 21.64304
437.5679 20.94344
438.0500 20.17078
438.5321 19.35855
439.0142 18.58112
439.4963 17.97149
439.9785 17.62268
440.4606 17.38079
440.9427 17.15895
441.4248 16.95205
441.9069 16.74328
442.3890 16.26234
442.8712 15.96729
443.3533 16.21043
443.8354 17.11667
444.3175 18.13050
444.7996 19.13471
445.2817 20.11435
445.7639 21.06299
446.2460 21.69756
446.7281 22.61076
447.2102 24.09209
447.6923 26.03801
448.1744 27.64459
448.6566 28.53247
449.1387 29.48113
449.6208 30.87371
450.1029 32.94650
450.5850 34.73280
451.0671 35.99135
451.5493 37.18604
452.0314 39.15382
452.5135 42.18065
452.9956 44.63395
453.4777 45.89474
453.9598 46.26053
454.4420 47.00015
454.9241 48.11667
455.4062 49.51451
455.8883 51.18974
456.3704 53.09738
456.8525 55.01818
457.3347 56.89003
457.8168 58.78149
458.2989 60.78288
458.7810 62.85783
459.2631 64.82761
459.7452 66.62948
460.2274 68.28588
460.7095 69.79752
461.1916 71.19145
461.6737 72.50043
462.1558 73.82894
462.6379 75.06327
463.1201 76.10718
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