#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:44 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1096 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000532.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_1000532
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 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            R050528.rod
_rod_data_source.block           3500000
_rod_database.code               1000532
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
137.2138 0.0000000E+00
137.6959 0.5549160
138.1780 0.5231480
138.6601 0.2188720
139.1423 0.2852170
139.6244 0.3486020
140.1065 1.378967
140.5886 2.695038
141.0707 4.250397
141.5528 6.043030
142.0350 8.048767
142.5171 10.13748
142.9992 12.76807
143.4813 15.73535
143.9634 19.25903
144.4455 23.67447
144.9277 28.97485
145.4098 34.70367
145.8919 40.12839
146.3740 44.96933
146.8561 49.97787
147.3382 55.66840
147.8204 61.39728
148.3025 66.52579
148.7846 70.90430
149.2667 74.40594
149.7488 76.42734
150.2309 76.85434
150.7131 76.61420
151.1952 75.76883
151.6773 74.48029
152.1594 73.17947
152.6415 71.70148
153.1236 70.68530
153.6058 70.87741
154.0879 72.45581
154.5700 74.69861
155.0521 77.35178
155.5342 80.44989
156.0163 83.05283
156.4985 85.04028
156.9806 86.16104
157.4627 86.08972
157.9448 84.70679
158.4269 82.28326
158.9090 79.02231
159.3912 74.54813
159.8733 70.18378
160.3554 65.69693
160.8375 62.67444
161.3196 61.41386
161.8017 61.60701
162.2839 62.77240
162.7660 63.54500
163.2481 64.82855
163.7302 65.83966
164.2123 66.61594
164.6944 66.97055
165.1766 66.73518
165.6587 65.82236
166.1408 64.21725
166.6229 61.71951
167.1050 57.39914
167.5871 53.20451
168.0693 48.97656
168.5514 45.15460
169.0335 42.53439
169.5156 41.72786
169.9977 42.63911
170.4798 43.56027
170.9620 44.20718
171.4441 45.12109
171.9262 46.59676
172.4083 48.57967
172.8904 50.84303
173.3725 53.35635
173.8547 56.01721
174.3368 58.20512
174.8189 59.71651
175.3010 60.91281
175.7831 62.37273
176.2652 64.15314
176.7474 65.08606
177.2295 64.09366
177.7116 61.53430
178.1937 58.22580
178.6758 54.27913
179.1579 49.68408
179.6401 44.23839
180.1222 37.74783
180.6043 31.02518
181.0864 24.19127
181.5685 17.51006
182.0506 11.56618
182.5328 6.693390
183.0149 2.746399
183.4970 0.8052980
183.9791 4.168076
184.4612 6.664474
184.9433 7.993332
185.4255 8.417007
185.9076 8.407135
186.3897 8.311234
186.8718 8.072540
187.3539 7.071472
187.8360 4.874969
188.3182 2.264374
188.8003 0.4950560
189.2824 3.478729
189.7645 6.893311
190.2466 10.92815
190.7287 15.62445
191.2109 20.31035
191.6930 24.89673
192.1751 29.59613
192.6572 34.55151
193.1393 39.67740
193.6214 44.78915
194.1036 49.68405
194.5857 54.34489
195.0678 58.93253
195.5499 63.91180
196.0320 68.65163
196.5141 72.58954
196.9963 75.89621
197.4784 79.34183
197.9605 83.65173
198.4426 88.97604
198.9247 94.11691
199.4068 99.17696
199.8890 103.9958
200.3711 108.4352
200.8532 112.5015
201.3353 116.3255
201.8174 120.0437
202.2995 123.6375
202.7817 126.9934
203.2638 130.3201
203.7459 133.2851
204.2280 135.3783
204.7101 136.5148
205.1922 137.5533
205.6744 139.4342
206.1565 141.9550
206.6386 144.1027
207.1207 145.5559
207.6028 146.5762
208.0849 147.6026
208.5671 148.7764
209.0492 149.5408
209.5313 149.1929
210.0134 148.0999
210.4955 146.9496
210.9776 146.0809
211.4598 145.3109
211.9419 144.2814
212.4240 143.0992
212.9061 141.3923
213.3882 138.7880
213.8703 135.5778
214.3525 132.2730
214.8346 129.3807
215.3167 126.5938
215.7988 122.7216
216.2809 116.9134
216.7630 111.2857
217.2451 106.6828
217.7273 102.8578
218.2094 99.35054
218.6915 95.86963
219.1736 92.46593
219.6557 89.55249
220.1378 87.70615
220.6200 85.67880
221.1021 83.01331
221.5842 79.94029
222.0663 76.84155
222.5484 74.00703
223.0305 71.38589
223.5127 68.46103
223.9948 64.38965
224.4769 60.95827
224.9590 58.68686
225.4411 57.29292
225.9232 56.26897
226.4054 55.26694
226.8875 54.32675
227.3696 53.80109
227.8517 53.75275
228.3338 54.07977
228.8159 54.71397
229.2981 55.72331
229.7802 57.27357
230.2623 59.50864
230.7444 62.36520
231.2265 65.10149
231.7086 67.85625
232.1908 70.36028
232.6729 72.22752
233.1550 73.80287
233.6371 75.72708
234.1192 78.38844
234.6013 81.72668
235.0835 85.36057
235.5656 89.87024
236.0477 94.01981
236.5298 97.14191
237.0119 99.60944
237.4940 102.2861
237.9762 105.6717
238.4583 109.6170
238.9404 113.4210
239.4225 117.1766
239.9046 120.7194
240.3867 123.8232
240.8689 126.6466
241.3510 129.5843
241.8331 132.8257
242.3152 136.1247
242.7973 138.8182
243.2794 140.8999
243.7616 142.7061
244.2437 144.3583
244.7258 145.8397
245.2079 147.1015
245.6900 148.1274
246.1721 148.9560
246.6543 149.7473
247.1364 150.5915
247.6185 150.9410
248.1006 150.4469
248.5827 149.2278
249.0648 147.6011
249.5470 145.4357
250.0291 143.1373
250.5112 141.3082
250.9933 139.9624
251.4754 138.7605
251.9576 137.3943
252.4397 135.9729
252.9218 134.9771
253.4039 134.7767
253.8860 134.7466
254.3681 134.0775
254.8503 132.7772
255.3324 131.7086
255.8145 131.6658
256.2966 132.4097
256.7787 132.6999
257.2608 132.2033
257.7430 131.3315
258.2251 130.5521
258.7072 129.8141
259.1893 128.7780
259.6714 127.2541
260.1535 125.2678
260.6357 122.8817
261.1178 120.0464
261.5999 116.8644
262.0820 113.3055
262.5641 109.4765
263.0462 105.7026
263.5284 102.3002
264.0105 99.18094
264.4926 95.69978
264.9747 91.71886
265.4568 87.53384
265.9389 83.25798
266.4211 78.87781
266.9032 74.43050
267.3853 69.94516
267.8674 65.41884
268.3495 60.83296
268.8316 56.06694
269.3138 51.44579
269.7959 46.92879
270.2780 42.64395
270.7601 38.79640
271.2422 35.54984
271.7243 32.75420
272.2065 29.92856
272.6886 26.76631
273.1707 24.18494
273.6528 22.63850
274.1349 21.61972
274.6170 20.54707
275.0992 19.12880
275.5813 17.60615
276.0634 16.62126
276.5455 16.44939
277.0276 16.32361
277.5097 16.18787
277.9919 15.97935
278.4740 15.59409
278.9561 14.99384
279.4382 14.32951
279.9203 13.91795
280.4024 14.01350
280.8846 13.81561
281.3667 13.06084
281.8488 12.15316
282.3309 11.43078
282.8130 10.96188
283.2951 10.52417
283.7773 9.729370
284.2594 8.286682
284.7415 7.223907
285.2236 6.766609
285.7057 6.481842
286.1878 6.103691
286.6700 5.613029
287.1521 5.173126
287.6342 5.005432
288.1163 5.234749
288.5984 5.254662
289.0805 4.898354
289.5627 4.501305
290.0448 4.160759
290.5269 3.908272
291.0090 3.780075
291.4911 3.840538
291.9732 4.120575
292.4554 4.196815
292.9375 3.832466
293.4196 3.502388
293.9017 3.406731
294.3838 3.469261
294.8659 3.506897
295.3481 3.391441
295.8302 3.129463
296.3123 2.832626
296.7944 2.438644
297.2765 2.074150
297.7586 1.747963
298.2408 1.471123
298.7229 1.298805
299.2050 1.274086
299.6871 1.315292
300.1692 1.104599
300.6513 0.4320220
301.1335 0.2598650
301.6156 1.034286
302.0977 1.761978
302.5798 2.308685
303.0619 2.618919
303.5440 2.747612
304.0262 2.806442
304.5083 2.681900
304.9904 2.657936
305.4725 2.849556
305.9546 3.067101
306.4367 3.182678
306.9189 3.155983
307.4010 2.997520
307.8831 2.708138
308.3652 2.216042
308.8473 1.775993
309.3294 1.506386
309.8116 1.187393
310.2937 0.6156540
310.7758 0.1722110
311.2579 0.9394070
311.7400 1.436081
312.2221 1.615746
312.7043 1.868355
313.1864 2.317360
313.6685 2.708542
314.1506 2.898193
314.6327 2.942520
315.1148 2.995041
315.5970 3.172356
316.0791 3.462090
316.5612 3.690788
317.0433 4.099205
317.5254 4.178963
318.0075 3.633186
318.4897 2.726921
318.9718 1.827293
319.4539 1.119095
319.9360 0.5803380
320.4181 0.1362230
320.9002 0.1214450
321.3824 0.3848340
321.8645 0.8308330
322.3466 1.208138
322.8287 1.224915
323.3108 0.7966160
323.7929 0.1323850
324.2751 0.3854830
324.7572 0.4884110
325.2393 0.9935070
325.7214 2.015648
326.2035 3.293121
326.6856 4.687363
327.1678 6.161827
327.6499 7.717369
328.1320 9.328148
328.6141 10.91805
329.0962 12.99530
329.5783 15.77474
330.0605 18.76367
330.5426 21.71030
331.0247 24.69044
331.5068 27.91809
331.9889 31.56788
332.4710 35.62199
332.9532 39.79024
333.4353 44.31063
333.9174 48.72858
334.3995 53.04359
334.8816 57.16917
335.3637 60.95913
335.8459 64.30946
336.3280 67.36189
336.8101 70.43502
337.2922 73.52664
337.7743 76.66821
338.2564 79.82320
338.7386 83.05911
339.2206 86.41738
339.7028 89.92548
340.1849 93.55490
340.6670 97.25405
341.1491 100.9371
341.6312 104.8989
342.1133 109.4912
342.5955 114.0089
343.0776 117.9410
343.5597 121.3688
344.0418 124.8048
344.5239 128.7591
345.0060 133.2699
345.4882 137.6318
345.9703 141.6810
346.4524 145.7401
346.9345 149.8617
347.4166 154.0565
347.8987 158.4404
348.3809 163.1545
348.8630 167.9646
349.3451 171.8084
349.8272 174.4259
350.3093 176.4363
350.7914 178.4493
351.2736 179.7473
351.7557 179.5814
352.2378 177.7061
352.7199 174.4887
353.2020 170.5065
353.6841 165.7601
354.1663 160.1426
354.6484 152.7655
355.1305 145.2491
355.6126 138.3429
356.0947 132.1861
356.5768 126.7321
357.0590 121.9931
357.5411 118.0050
358.0232 114.4329
358.5053 111.1041
358.9874 108.4710
359.4695 106.7683
359.9517 105.8563
360.4338 105.4699
360.9159 105.5319
361.3980 105.9798
361.8801 106.5839
362.3622 107.2766
362.8444 108.3154
363.3265 109.9390
363.8086 111.8379
364.2907 113.6862
364.7728 115.3806
365.2549 117.1527
365.7371 119.4057
366.2192 122.2384
366.7013 124.8637
367.1834 127.0063
367.6655 128.9231
368.1476 130.8053
368.6298 132.6841
369.1119 134.4865
369.5940 136.2279
370.0761 137.8505
370.5582 139.0773
371.0403 139.7953
371.5225 140.2757
372.0046 140.6273
372.4867 140.8931
372.9688 141.1924
373.4509 141.7266
373.9330 142.2255
374.4152 142.2092
374.8973 141.6243
375.3794 140.9813
375.8615 140.4626
376.3436 140.0531
376.8257 139.7392
377.3079 139.5463
377.7900 139.3788
378.2721 139.3103
378.7542 139.2570
379.2363 138.7847
379.7184 137.6642
380.2006 136.2251
380.6827 134.9811
381.1648 133.9739
381.6469 132.6543
382.1290 130.6551
382.6111 128.2669
383.0933 126.0261
383.5754 124.0124
384.0575 121.7948
384.5396 118.9490
385.0217 115.5130
385.5038 112.0232
385.9860 108.5123
386.4681 104.9508
386.9502 101.4351
387.4323 97.88441
387.9144 93.97088
388.3965 89.52145
388.8787 84.67518
389.3608 79.75443
389.8429 74.61612
390.3250 69.65152
390.8071 64.88602
391.2892 60.35724
391.7714 56.24117
392.2535 52.56098
392.7356 48.87454
393.2177 44.63583
393.6998 39.64261
394.1819 35.09303
394.6641 30.97460
395.1462 27.24255
395.6283 23.91690
396.1104 20.97816
396.5925 18.45727
397.0746 16.38614
397.5568 14.70699
398.0389 13.02806
398.5210 11.20919
399.0031 9.579391
399.4852 8.228699
399.9673 7.058281
400.4495 5.935760
400.9316 4.828003
401.4137 3.816406
401.8958 3.033310
402.3779 2.537560
402.8600 2.124855
403.3422 1.922745
403.8243 1.676842
404.3064 1.233482
404.7885 0.6244810
405.2706 2.0226000E-02
405.7527 0.5993500
406.2349 1.126244
406.7170 1.699242
407.1991 2.497932
407.6812 3.066307
408.1633 3.183144
408.6454 3.088463
409.1276 3.059258
409.6097 3.197311
410.0918 3.363228
410.5739 3.287552
411.0560 2.881805
411.5381 2.716415
412.0203 3.220833
412.5024 3.703316
412.9845 3.775185
413.4666 3.452812
413.9487 2.955406
414.4308 2.321129
414.9130 1.620216
415.3951 1.172195
415.8772 1.115967
416.3593 0.9701920
416.8414 0.3242870
417.3235 0.5320430
417.8057 1.199150
418.2878 1.520187
418.7699 1.751396
419.2520 2.058311
419.7341 2.457497
420.2162 3.185417
420.6984 4.547699
421.1805 5.951134
421.6626 6.523659
422.1447 6.272491
422.6268 6.159462
423.1089 6.739456
423.5911 7.565430
424.0732 8.007004
424.5553 7.992401
425.0374 7.856247
425.5195 7.838783
426.0016 7.914871
426.4838 7.906464
426.9659 7.829147
427.4480 7.655006
427.9301 7.338516
428.4122 6.918495
428.8943 6.456772
429.3765 5.968643
429.8586 5.498688
430.3407 5.107353
430.8228 4.705330
431.3049 4.635307
431.7870 5.299896
432.2692 5.999092
432.7513 6.165863
433.2334 5.831734
433.7155 5.412346
434.1976 5.232895
434.6797 5.280098
435.1619 5.362556
435.6440 5.716095
436.1261 5.824844
436.6082 5.359489
437.0903 4.705612
437.5724 4.296928
438.0546 4.287369
438.5367 4.535133
439.0188 4.833847
439.5009 5.186325
439.9830 5.576759
440.4651 5.817520
440.9473 6.269615
441.4294 7.127296
441.9115 8.346352
442.3936 9.766289
442.8757 11.26495
443.3578 12.89172
443.8400 14.76535
444.3221 16.91055
444.8042 19.27067
445.2863 21.98222
445.7684 24.82290
446.2505 27.54512
446.7327 30.08720
447.2148 32.65892
447.6969 35.41115
448.1790 38.32935
448.6611 41.41895
449.1432 44.78433
449.6254 48.09615
450.1075 50.89627
450.5896 53.37313
451.0717 56.17030
451.5538 59.66313
452.0359 63.39539
452.5181 66.91383
453.0002 70.25283
453.4823 73.63145
453.9644 77.17297
454.4465 80.78189
454.9286 84.22466
455.4108 87.39774
455.8929 90.69380
456.3750 94.37865
456.8571 98.13078
457.3392 101.5937
457.8214 104.7250
458.3035 107.7327
458.7856 110.7329
459.2677 113.7250
459.7498 117.4411
460.2319 122.8928
460.7141 127.7941
461.1962 131.3888
461.6783 134.0823
462.1604 136.4256
462.6425 138.6367
463.1246 140.6005
463.6068 142.1709
464.0889 143.4679
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