#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:43:18 +0300 (Thu, 26 Apr 2018) $
#$Revision: 529 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000081.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_1000081
loop_
_publ_author_name
'Burns, P. C.'
'Roberts, A. C.'
'Stirling, J. A. R.'
'Criddle, A. J.'
'Feinglos, M. N.'
_publ_section_title
;
 Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas
 Gerais, Brazil: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1822
_journal_page_last               1827
_journal_volume                  85
_journal_year                    2000
_chemical_compound_source        R070441
_chemical_formula_sum            'Bi12 Cr4 H6 O33'
_chemical_name_mineral           Dukeite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.067
_cell_length_b                   15.067
_cell_length_c                   15.293
_cell_volume                     3006.609
_exptl_crystal_density_diffrn    7.179
_cod_original_formula_sum        'Bi12 Cr4 O33 H6'
_cod_database_code               9002510
_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            R070441.rod
_rod_data_source.block           3500000
_rod_database.code               1000081
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 9002510 COD http://www.crystallography.net/cod/9002510.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
117.1129 0.0000000E+00
117.5950 46.18359
118.0771 20.38281
118.5592 3.890625
119.0413 33.16016
119.5234 46.96484
120.0056 22.02344
120.4877 24.04297
120.9698 41.77344
121.4519 13.35156
121.9340 50.66406
122.4161 130.2734
122.8982 230.0430
123.3804 332.7266
123.8625 433.4688
124.3446 530.1719
124.8267 613.6211
125.3088 670.6094
125.7909 698.3047
126.2731 734.8750
126.7552 783.3594
127.2373 843.0195
127.7194 914.6914
128.2015 998.4219
128.6837 1091.859
129.1658 1198.633
129.6479 1348.141
130.1300 1447.426
130.6121 1456.973
131.0942 1438.348
131.5764 1437.973
132.0585 1476.430
132.5406 1550.172
133.0227 1647.961
133.5048 1785.227
133.9869 1931.688
134.4691 2097.398
134.9512 2269.520
135.4333 2425.395
135.9154 2548.879
136.3975 2642.086
136.8796 2747.301
137.3618 2850.211
137.8439 2974.730
138.3260 3150.457
138.8081 3370.285
139.2902 3581.000
139.7723 3733.016
140.2545 3825.832
140.7366 3936.422
141.2187 4064.365
141.7008 4213.836
142.1829 4401.184
142.6650 4636.811
143.1472 4872.352
143.6293 5037.209
144.1114 5148.281
144.5935 5298.236
145.0756 5531.797
145.5577 5834.365
146.0399 6161.053
146.5220 6508.842
147.0041 6878.020
147.4862 7268.020
147.9683 7677.975
148.4504 8097.324
148.9326 8513.055
149.4147 8926.090
149.8968 9350.379
150.3789 9792.457
150.8610 10245.79
151.3431 10695.53
151.8252 11140.06
152.3074 11612.83
152.7895 12176.75
153.2716 12902.66
153.7537 13570.01
154.2358 14146.42
154.7179 14672.63
155.2001 15180.94
155.6822 15687.38
156.1643 16188.15
156.6464 16672.81
157.1285 17113.78
157.6106 17576.18
158.0928 18068.41
158.5749 18584.94
159.0570 19118.80
159.5391 19665.27
160.0212 20225.76
160.5033 20793.45
160.9855 21392.80
161.4676 21974.54
161.9497 22567.27
162.4318 23139.01
162.9139 23611.01
163.3960 23923.18
163.8782 24061.74
164.3603 24102.33
164.8424 24108.56
165.3245 23984.33
165.8066 23659.09
166.2887 23128.74
166.7709 22452.12
167.2530 21664.66
167.7351 20759.65
168.2172 19775.50
168.6993 18635.43
169.1814 17447.96
169.6636 16346.81
170.1457 15359.86
170.6278 14425.85
171.1099 13469.65
171.5920 12496.87
172.0741 11572.11
172.5563 10724.08
173.0384 9941.820
173.5205 9204.172
174.0026 8493.645
174.4847 7849.543
174.9668 7277.936
175.4490 6787.254
175.9311 6337.361
176.4132 5896.377
176.8953 5463.469
177.3774 5077.133
177.8595 4781.559
178.3417 4503.254
178.8238 4179.480
179.3059 3807.891
179.7880 3461.648
180.2701 3239.666
180.7522 3174.209
181.2344 3089.820
181.7165 2931.873
182.1986 2761.561
182.6807 2621.162
183.1628 2521.148
183.6449 2438.695
184.1271 2333.734
184.6092 2181.217
185.0913 2054.135
185.5734 1967.035
186.0555 1901.066
186.5376 1843.025
187.0198 1787.254
187.5019 1734.369
187.9840 1682.850
188.4661 1628.738
188.9482 1582.709
189.4303 1554.320
189.9125 1530.762
190.3946 1493.809
190.8767 1432.654
191.3588 1357.244
191.8409 1309.191
192.3230 1317.488
192.8052 1323.211
193.2873 1310.031
193.7694 1287.135
194.2515 1270.420
194.7336 1272.674
195.2157 1295.762
195.6979 1321.650
196.1800 1353.807
196.6621 1386.441
197.1442 1417.863
197.6263 1445.570
198.1084 1463.369
198.5906 1468.729
199.0727 1464.129
199.5548 1455.248
200.0369 1427.891
200.5190 1404.664
201.0011 1397.316
201.4833 1409.520
201.9654 1431.184
202.4475 1453.020
202.9296 1472.943
203.4117 1498.826
203.8938 1547.646
204.3760 1598.707
204.8581 1633.410
205.3402 1650.129
205.8223 1656.160
206.3044 1651.613
206.7865 1640.736
207.2687 1638.902
207.7508 1657.717
208.2329 1683.898
208.7150 1701.471
209.1971 1710.154
209.6792 1707.332
210.1614 1665.320
210.6435 1606.227
211.1256 1589.605
211.6077 1682.283
212.0898 1827.059
212.5719 1890.705
213.0541 1835.711
213.5362 1762.404
214.0183 1732.457
214.5004 1737.580
214.9825 1761.293
215.4646 1823.770
215.9468 1905.096
216.4289 1911.889
216.9110 1782.863
217.3931 1660.932
217.8752 1646.279
218.3573 1707.256
218.8395 1751.945
219.3216 1708.488
219.8037 1584.275
220.2858 1468.285
220.7679 1354.107
221.2500 1258.273
221.7322 1192.400
222.2143 1151.551
222.6964 1120.041
223.1785 1096.939
223.6606 1084.436
224.1427 1029.129
224.6249 858.0938
225.1070 706.8867
225.5891 646.0508
226.0712 659.2148
226.5533 677.0234
227.0354 626.5000
227.5176 492.7031
227.9997 396.6445
228.4818 376.7676
228.9639 363.6348
229.4460 333.2793
229.9281 284.1855
230.4103 225.4980
230.8924 162.8027
231.3745 88.26562
231.8566 45.03906
232.3387 62.01367
232.8208 83.07812
233.3030 82.76172
233.7851 60.09375
234.2672 29.15430
234.7493 4.291016
235.2314 14.37891
235.7135 26.09570
236.1957 16.25000
236.6778 12.17578
237.1599 36.99805
237.6420 87.15430
238.1241 134.8008
238.6062 143.4766
239.0884 89.60352
239.5705 76.05469
240.0526 140.6074
240.5347 208.3594
241.0168 233.9395
241.4989 213.7617
241.9811 172.3457
242.4632 136.4766
242.9453 105.1387
243.4274 85.01758
243.9095 79.54492
244.3916 80.91797
244.8738 86.08203
245.3559 93.83008
245.8380 103.3418
246.3201 114.6875
246.8022 131.4668
247.2843 136.0859
247.7665 117.0254
248.2486 95.23438
248.7307 84.03125
249.2128 85.60352
249.6949 97.29492
250.1770 120.0176
250.6592 165.4355
251.1413 172.9609
251.6234 95.04883
252.1055 13.50195
252.5876 3.378906
253.0697 50.17969
253.5519 125.8828
254.0340 173.1152
254.5161 186.1934
254.9982 180.1211
255.4803 127.5625
255.9624 74.17578
256.4445 67.92969
256.9267 111.4199
257.4088 151.1348
257.8909 124.0918
258.3730 7.410156
258.8551 55.39453
259.3372 7.072266
259.8194 58.34766
260.3015 56.66797
260.7836 19.38086
261.2657 107.6953
261.7478 144.1660
262.2299 117.8359
262.7121 123.6465
263.1942 206.3340
263.6763 293.1562
264.1584 317.2930
264.6405 274.3105
265.1227 215.7539
265.6048 183.8633
266.0869 181.8359
266.5690 195.9180
267.0511 241.3125
267.5332 292.4609
268.0154 326.5000
268.4975 342.3516
268.9796 357.4824
269.4617 390.7070
269.9438 440.5586
270.4259 465.4863
270.9081 447.4043
271.3902 415.8848
271.8723 386.0234
272.3544 359.8652
272.8365 351.0781
273.3186 373.6309
273.8008 426.7676
274.2829 477.7324
274.7650 543.5059
275.2471 594.2129
275.7292 597.8965
276.2113 557.5078
276.6935 513.9258
277.1756 491.7715
277.6577 491.7227
278.1398 500.9961
278.6219 537.0625
279.1040 568.5566
279.5862 570.3496
280.0683 545.1309
280.5504 514.4492
281.0325 486.3633
281.5146 465.0391
281.9967 460.5117
282.4789 484.3340
282.9610 513.6895
283.4431 545.0625
283.9252 574.5586
284.4073 576.1602
284.8894 526.1328
285.3716 441.4785
285.8537 377.6465
286.3358 325.6055
286.8179 304.6621
287.3000 346.7617
287.7821 436.0977
288.2643 507.1602
288.7464 525.4375
289.2285 509.8594
289.7106 511.9062
290.1927 546.0488
290.6748 574.8496
291.1570 571.0703
291.6391 545.3477
292.1212 533.0352
292.6033 551.9258
293.0854 586.4570
293.5675 604.8027
294.0497 606.0781
294.5318 602.8965
295.0139 592.8457
295.4960 578.8398
295.9781 570.5156
296.4602 572.5332
296.9424 589.7617
297.4245 625.1016
297.9066 676.7852
298.3887 721.0723
298.8708 746.7051
299.3529 766.7793
299.8351 803.4590
300.3172 864.7031
300.7993 932.5508
301.2814 979.3398
301.7635 1002.240
302.2456 1027.623
302.7278 1049.297
303.2099 1080.289
303.6920 1143.428
304.1741 1245.148
304.6562 1358.377
305.1383 1450.791
305.6205 1521.055
306.1026 1618.250
306.5847 1776.141
307.0668 1947.580
307.5489 2069.498
308.0310 2134.291
308.5132 2209.865
308.9953 2364.072
309.4774 2608.375
309.9595 2874.137
310.4416 3172.260
310.9237 3470.393
311.4059 3729.027
311.8880 3953.518
312.3701 4205.104
312.8522 4528.438
313.3343 4929.330
313.8164 5379.627
314.2986 5900.211
314.7807 6437.416
315.2628 6950.873
315.7449 7453.631
316.2270 8002.893
316.7091 8626.143
317.1913 9311.275
317.6734 10005.31
318.1555 10681.36
318.6376 11406.37
319.1197 12212.14
319.6018 13082.65
320.0840 13988.21
320.5661 14908.65
321.0482 15855.04
321.5303 16847.05
322.0124 17913.78
322.4945 18978.52
322.9767 20009.77
323.4588 21033.24
323.9409 22085.35
324.4230 23181.70
324.9051 24312.97
325.3872 25477.50
325.8694 26711.19
326.3515 27905.82
326.8336 29071.52
327.3157 30176.51
327.7978 31210.02
328.2799 32162.96
328.7621 33004.51
329.2442 33708.28
329.7263 34279.63
330.2084 34631.23
330.6905 34745.45
331.1726 34667.23
331.6548 34421.80
332.1369 34015.11
332.6190 33444.94
333.1011 32702.71
333.5832 31772.31
334.0653 30733.71
334.5475 29581.55
335.0296 28350.97
335.5117 27034.18
335.9938 25652.78
336.4759 24230.94
336.9580 22776.65
337.4402 21291.97
337.9223 19928.67
338.4044 18745.50
338.8865 17620.10
339.3686 16531.33
339.8507 15472.86
340.3329 14442.26
340.8150 13429.49
341.2971 12447.04
341.7792 11540.73
342.2613 10745.17
342.7434 9992.941
343.2256 9281.664
343.7077 8608.770
344.1898 7972.561
344.6719 7372.410
345.1540 6809.520
345.6361 6282.127
346.1183 5793.633
346.6004 5340.305
347.0825 4920.674
347.5646 4532.082
348.0467 4173.242
348.5288 3845.352
349.0110 3540.963
349.4931 3250.658
349.9752 2967.152
350.4573 2723.320
350.9394 2546.752
351.4215 2385.520
351.9037 2212.916
352.3858 2031.963
352.8679 1864.895
353.3500 1735.057
353.8321 1641.553
354.3142 1545.699
354.7964 1437.131
355.2785 1340.389
355.7606 1262.951
356.2427 1203.301
356.7248 1158.184
357.2069 1129.088
357.6891 1111.434
358.1712 1092.510
358.6533 1070.520
359.1354 1050.967
359.6175 1036.025
360.0996 1024.541
360.5818 1014.100
361.0639 1001.744
361.5460 995.6914
362.0281 1008.127
362.5102 1039.754
362.9923 1081.180
363.4745 1142.615
363.9566 1204.316
364.4387 1237.650
364.9208 1233.908
365.4029 1244.891
365.8850 1316.922
366.3672 1440.654
366.8493 1568.287
367.3314 1696.020
367.8135 1813.721
368.2956 1900.162
368.7777 1958.324
369.2599 2039.605
369.7420 2183.219
370.2241 2357.682
370.7062 2499.385
371.1883 2593.502
371.6704 2702.475
372.1526 2894.189
372.6347 3154.350
373.1168 3397.279
373.5989 3608.949
374.0810 3802.803
374.5631 3982.883
375.0453 4152.324
375.5274 4328.199
376.0095 4521.367
376.4916 4729.918
376.9737 4944.867
377.4558 5170.867
377.9380 5398.021
378.4201 5615.332
378.9022 5834.016
379.3843 6076.490
379.8664 6351.414
380.3485 6639.160
380.8307 6893.873
381.3128 7107.408
381.7949 7308.455
382.2770 7508.850
382.7591 7689.158
383.2412 7833.162
383.7234 7936.408
384.2055 8000.207
384.6876 8028.506
385.1697 8026.949
385.6518 7957.328
386.1339 7786.805
386.6161 7589.951
387.0982 7401.896
387.5803 7222.131
388.0624 7029.129
388.5445 6799.381
389.0266 6537.857
389.5088 6301.064
389.9909 6133.744
390.4730 5943.164
390.9551 5684.570
391.4372 5402.500
391.9193 5157.912
392.4015 4977.982
392.8836 4832.070
393.3657 4651.973
393.8478 4413.631
394.3299 4202.670
394.8120 4048.344
395.2942 3909.098
395.7763 3765.754
396.2584 3612.750
396.7405 3443.641
397.2226 3239.170
397.7047 2999.475
398.1869 2787.203
398.6690 2629.947
399.1511 2475.787
399.6332 2287.963
400.1153 2083.842
400.5974 1899.592
401.0796 1766.742
401.5617 1660.092
402.0438 1520.391
402.5259 1338.895
403.0080 1157.719
403.4901 985.7539
403.9723 832.7891
404.4544 719.9648
404.9365 666.0586
405.4186 628.8613
405.9007 574.6309
406.3828 506.8242
406.8650 442.8789
407.3471 387.7891
407.8292 340.9805
408.3113 301.4980
408.7934 269.8750
409.2755 241.0078
409.7577 216.4766
410.2398 192.7500
410.7219 157.9277
411.2040 109.9258
411.6861 77.59961
412.1682 99.05078
412.6504 184.9668
413.1325 220.2363
413.6146 167.1914
414.0967 100.4414
414.5788 50.93164
415.0609 22.11523
415.5431 15.26758
416.0252 33.25195
416.5073 70.61328
416.9894 101.2148
417.4715 148.8105
417.9536 160.0469
418.4358 97.24414
418.9179 10.81250
419.4000 46.28906
419.8821 57.96680
420.3642 44.93945
420.8463 38.40820
421.3285 43.95508
421.8106 40.23047
422.2927 12.17969
422.7748 11.45312
423.2569 8.148438
423.7390 14.57422
424.2212 27.89844
424.7033 4.285156
425.1854 47.92578
425.6675 74.76367
426.1496 57.10156
426.6317 45.96484
427.1139 69.56055
427.5960 106.9258
428.0781 131.4062
428.5602 132.9434
429.0423 121.7285
429.5244 106.8594
430.0066 88.13867
430.4887 75.80859
430.9708 78.17969
431.4529 83.09180
431.9350 77.19727
432.4171 60.07422
432.8993 40.08789
433.3814 18.44141
433.8635 2.609375
434.3456 17.71289
434.8277 25.19922
435.3098 34.52344
435.7920 60.91211
436.2741 100.3340
436.7562 109.2520
437.2383 46.80664
437.7204 10.26172
438.2025 6.962891
438.6847 40.04688
439.1668 80.88086
439.6489 91.64648
440.1310 79.47852
440.6131 63.02148
441.0952 28.16602
441.5774 9.164063
442.0595 26.75781
442.5416 49.63477
443.0237 40.40430
443.5058 2.541016
443.9879 41.71289
444.4701 29.76562
444.9522 45.58008
445.4343 83.55664
445.9164 38.66016
446.3985 1.689453
446.8806 8.035156
447.3628 42.30078
447.8449 73.73633
448.3270 86.17969
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1274.193 3.005859
1274.675 0.0000000E+00
