#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:22 +0300 (Thu, 07 Jun 2018) $
#$Revision: 940 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000411.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_1000411
loop_
_publ_author_name
'Grice, J. D.'
_publ_section_title
;
 A solution to the crystal structures of bismutite and beyerite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              693
_journal_page_last               698
_journal_paper_doi               10.2113/gscanmin.40.2.693
_journal_volume                  40
_journal_year                    2002
_chemical_compound_source        R060665
_chemical_formula_sum            'C Bi2 O5'
_chemical_name_mineral           Bismutite
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.865
_cell_length_b                   3.862
_cell_length_c                   13.675
_cell_volume                     204.122
_exptl_crystal_density_diffrn    8.297
_cod_original_formula_sum        'Bi2 C O5'
_cod_database_code               9004677
_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            R060665.rod
_rod_data_source.block           3500000
_rod_database.code               1000411
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 9004677 COD http://www.crystallography.net/cod/9004677.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
108.988 0.000
109.470 358.826
109.952 859.521
110.434 1457.463
110.916 2108.734
111.399 2813.491
111.881 3552.648
112.363 4308.746
112.845 5051.318
113.327 5836.275
113.809 6678.533
114.291 7572.568
114.773 8519.112
115.256 9511.218
115.738 10551.231
116.220 11625.884
116.702 12752.999
117.184 13891.752
117.666 15057.424
118.148 16244.829
118.630 17398.314
119.113 18475.180
119.595 19493.938
120.077 20472.201
120.559 21429.646
121.041 22335.930
121.523 23177.195
122.005 23942.244
122.487 24656.000
122.969 25323.115
123.451 25947.330
123.934 26529.926
124.416 27042.445
124.898 27521.547
125.380 28021.844
125.862 28566.172
126.344 29117.262
126.826 29622.902
127.308 30083.914
127.790 30551.010
128.273 31034.439
128.755 31546.879
129.237 32117.336
129.719 32754.211
130.201 33454.453
130.683 34211.785
131.165 35030.164
131.648 35905.258
132.130 36833.477
132.612 37817.836
133.094 38851.656
133.576 39932.105
134.058 41063.555
134.540 42237.383
135.022 43460.152
135.504 44729.039
135.986 46020.844
136.469 47325.867
136.951 48675.121
137.433 50108.312
137.915 51625.289
138.397 53096.289
138.879 54498.629
139.361 55863.301
139.843 57290.367
140.326 58793.438
140.808 60362.312
141.290 62032.879
141.772 63835.461
142.254 65607.570
142.736 67276.734
143.218 68875.438
143.700 70624.562
144.182 72570.234
144.665 74614.680
145.147 76628.992
145.629 78559.828
146.111 80573.703
146.593 82708.766
147.075 85006.477
147.557 87278.328
148.039 89471.539
148.521 91643.305
149.004 93904.930
149.486 96348.508
149.968 98754.938
150.450 101098.641
150.932 103370.078
151.414 105565.281
151.896 107705.742
152.378 109777.648
152.861 111741.203
153.343 113597.812
153.825 115383.578
154.307 117115.781
154.789 118868.719
155.271 120518.320
155.753 122064.469
156.235 123497.844
156.717 124824.562
157.200 126036.430
157.682 127161.734
158.164 128219.883
158.646 129291.367
159.128 130209.484
159.610 130933.328
160.092 131455.922
160.574 131775.531
161.057 131851.781
161.539 131723.562
162.021 131427.359
162.503 131012.383
162.985 130386.734
163.467 129501.422
163.949 128357.812
164.431 126985.031
164.913 125344.367
165.396 123497.125
165.878 121527.391
166.360 119501.375
166.842 117333.672
167.324 114982.922
167.806 112415.672
168.288 109791.828
168.770 107163.367
169.253 104537.336
169.735 101913.141
170.217 99305.430
170.699 96722.430
171.181 94178.180
171.663 91658.258
172.145 89204.430
172.627 86788.742
173.109 84444.586
173.592 82207.828
174.074 80119.977
174.556 78143.352
175.038 76253.656
175.520 74432.078
176.002 72676.906
176.484 70999.523
176.966 69406.094
177.449 67893.203
177.931 66462.391
178.413 65119.617
178.895 63850.918
179.377 62675.371
179.859 61553.500
180.341 60405.344
180.823 59221.930
181.305 58086.730
181.788 57070.320
182.270 56159.242
182.752 55274.570
183.234 54393.383
183.716 53521.977
184.198 52702.414
184.680 51937.711
185.162 51196.934
185.645 50427.090
186.127 49642.180
186.609 48884.633
187.091 48191.031
187.573 47543.203
188.055 46902.391
188.537 46261.195
189.019 45624.367
189.501 44981.457
189.984 44328.742
190.466 43693.133
190.948 43102.273
191.430 42544.180
191.912 41958.277
192.394 41330.703
192.876 40698.711
193.358 40133.805
193.840 39640.973
194.323 39162.289
194.805 38674.258
195.287 38177.453
195.769 37673.984
196.251 37157.422
196.733 36634.430
197.215 36113.250
197.697 35586.391
198.180 35097.453
198.662 34709.875
199.144 34430.250
199.626 34068.352
200.108 33582.078
200.590 33004.258
201.072 32441.211
201.554 31879.678
202.036 31366.850
202.519 30954.631
203.001 30655.535
203.483 30352.609
203.965 30022.490
204.447 29668.867
204.929 29338.234
205.411 29043.836
205.893 28729.467
206.376 28327.617
206.858 27812.045
207.340 27330.096
207.822 26924.842
208.304 26589.064
208.786 26210.795
209.268 25780.621
209.750 25335.727
210.232 24911.658
210.714 24512.801
211.197 24142.066
211.679 23811.832
212.161 23524.410
212.643 23208.863
213.125 22854.580
213.607 22492.961
214.089 22160.496
214.572 21867.959
215.054 21573.307
215.536 21260.471
216.018 20921.719
216.500 20618.057
216.982 20365.887
217.464 20132.377
217.946 19864.438
218.428 19544.928
218.911 19230.406
219.393 18938.318
219.875 18674.633
220.357 18413.342
220.839 18152.787
221.321 17897.172
221.803 17643.787
222.285 17395.902
222.767 17150.740
223.250 16911.387
223.732 16678.799
224.214 16447.086
224.696 16215.572
225.178 15986.541
225.660 15756.775
226.142 15539.193
226.624 15301.691
227.107 15021.156
227.589 14647.373
228.071 14364.959
228.553 14216.152
229.035 14141.236
229.517 13995.096
229.999 13741.928
230.481 13467.432
230.963 13205.738
231.445 12952.367
231.928 12716.270
232.410 12501.613
232.892 12302.158
233.374 12110.201
233.856 11927.941
234.338 11749.430
234.820 11572.002
235.303 11403.877
235.785 11221.396
236.267 11016.799
236.749 10797.840
237.231 10597.521
237.713 10432.215
238.195 10266.742
238.677 10082.422
239.159 9866.615
239.641 9659.717
240.124 9459.082
240.606 9267.869
241.088 9096.471
241.570 8959.385
242.052 8825.383
242.534 8675.002
243.016 8489.670
243.498 8325.299
243.981 8184.107
244.463 8065.076
244.945 7968.871
245.427 7913.363
245.909 7855.002
246.391 7767.377
246.873 7640.619
247.355 7500.523
247.837 7336.883
248.320 7158.287
248.802 7013.264
249.284 6923.193
249.766 6840.225
250.248 6736.260
250.730 6607.434
251.212 6468.389
251.694 6314.592
252.176 6152.980
252.659 6009.162
253.141 5890.074
253.623 5782.076
254.105 5674.213
254.587 5561.998
255.069 5467.473
255.551 5403.422
256.033 5361.275
256.516 5287.645
256.998 5163.250
257.480 5034.297
257.962 4928.219
258.444 4841.043
258.926 4784.791
259.408 4772.900
259.890 4793.381
260.372 4775.744
260.855 4690.596
261.337 4612.967
261.819 4606.459
262.301 4714.891
262.783 4761.230
263.265 4709.727
263.747 4580.822
264.229 4475.924
264.711 4408.693
265.194 4341.340
265.676 4239.830
266.158 4085.984
266.640 3972.994
267.122 3927.389
267.604 3930.158
268.086 3892.029
268.569 3794.822
269.051 3697.188
269.533 3645.836
270.015 3655.596
270.497 3646.707
270.979 3606.986
271.461 3543.615
271.943 3486.594
272.425 3440.182
272.908 3390.059
273.390 3317.062
273.872 3212.883
274.354 3148.014
274.836 3139.979
275.318 3171.531
275.800 3186.260
276.282 3182.402
276.764 3166.697
277.247 3147.338
277.729 3126.123
278.211 3070.811
278.693 2960.691
279.175 2826.125
279.657 2758.531
280.139 2766.309
280.621 2793.998
281.103 2810.828
281.586 2816.576
282.068 2809.016
282.550 2785.312
283.032 2750.820
283.514 2719.053
283.996 2690.854
284.478 2658.598
284.960 2617.639
285.443 2568.193
285.925 2511.621
286.407 2444.680
286.889 2377.344
287.371 2332.596
287.853 2310.902
288.335 2292.025
288.817 2258.369
289.299 2214.361
289.782 2189.701
290.264 2192.432
290.746 2204.686
291.228 2196.709
291.710 2169.404
292.192 2138.713
292.674 2112.629
293.156 2090.578
293.638 2075.400
294.121 2072.223
294.603 2062.490
295.085 2006.885
295.567 1914.473
296.049 1837.688
296.531 1824.574
297.013 1848.111
297.496 1841.873
297.978 1797.354
298.460 1744.211
298.942 1712.633
299.424 1700.932
299.906 1703.498
300.388 1717.926
300.870 1744.188
301.352 1788.775
301.835 1854.762
302.317 1913.652
302.799 1930.033
303.281 1916.238
303.763 1903.633
304.245 1903.824
304.727 1913.127
305.209 1930.158
305.691 1955.076
306.174 1978.184
306.656 1992.744
307.138 2000.275
307.620 2003.770
308.102 2001.498
308.584 1998.580
309.066 2005.920
309.548 2024.303
310.030 2029.096
310.513 1982.053
310.995 1918.150
311.477 1883.361
311.959 1921.850
312.441 1973.639
312.923 2003.227
313.405 2011.041
313.887 2011.885
314.370 2006.297
314.852 2000.404
315.334 2000.150
315.816 2020.430
316.298 2034.797
316.780 2024.186
317.262 1993.359
317.744 1974.348
318.226 1988.355
318.709 2015.068
319.191 2039.381
319.673 2042.064
320.155 2060.049
320.637 2111.223
321.119 2188.695
321.601 2263.195
322.083 2332.113
322.565 2391.430
323.048 2437.924
323.530 2459.611
324.012 2483.326
324.494 2518.186
324.976 2558.100
325.458 2585.736
325.940 2559.178
326.422 2551.482
326.905 2596.006
327.387 2741.883
327.869 2857.889
328.351 2930.637
328.833 2972.854
329.315 3009.199
329.797 3016.684
330.279 3043.387
330.762 3111.984
331.244 3250.611
331.726 3347.953
332.208 3384.010
332.690 3390.471
333.172 3414.719
333.654 3466.408
334.136 3520.092
334.618 3567.369
335.100 3605.947
335.583 3660.416
336.065 3736.988
336.547 3822.537
337.029 3904.068
337.511 3982.008
337.993 4052.588
338.475 4106.912
338.957 4148.107
339.440 4230.637
339.922 4373.785
340.404 4510.908
340.886 4566.488
341.368 4528.461
341.850 4522.729
342.332 4584.416
342.814 4692.240
343.297 4767.359
343.779 4807.230
344.261 4840.465
344.743 4890.764
345.225 4956.955
345.707 5020.402
346.189 5078.590
346.671 5134.504
347.153 5195.359
347.635 5260.736
348.118 5326.254
348.600 5390.711
349.082 5452.477
349.564 5507.932
350.046 5555.787
350.528 5597.488
351.010 5634.170
351.492 5665.748
351.975 5694.078
352.457 5705.758
352.939 5719.098
353.421 5772.393
353.903 5873.916
354.385 5966.859
354.867 5992.033
355.349 5974.541
355.832 5961.354
356.314 5990.783
356.796 6022.621
357.278 6018.574
357.760 5978.529
358.242 5937.186
358.724 5910.453
359.206 5895.133
359.688 5887.514
360.171 5899.994
360.653 5907.191
361.135 5886.898
361.617 5844.645
362.099 5819.910
362.581 5849.299
363.063 5887.314
363.545 5902.285
364.027 5876.225
364.510 5841.334
364.992 5806.910
365.474 5769.467
365.956 5718.555
366.438 5621.916
366.920 5537.396
367.402 5490.881
367.884 5502.934
368.366 5516.756
368.849 5548.205
369.331 5577.023
369.813 5567.713
370.295 5484.969
370.777 5407.139
371.259 5355.992
371.741 5337.252
372.224 5317.480
372.706 5297.779
373.188 5274.996
373.670 5243.646
374.152 5195.615
374.634 5157.953
375.116 5141.939
375.598 5143.684
376.080 5124.523
376.562 5080.422
377.045 5025.049
377.527 4967.340
378.009 4905.596
378.491 4854.229
378.973 4820.174
379.455 4794.494
379.937 4750.777
380.419 4687.217
380.902 4628.766
381.384 4596.299
381.866 4585.445
382.348 4563.613
382.830 4525.350
383.312 4485.248
383.794 4467.066
384.276 4467.586
384.759 4469.582
385.241 4460.430
385.723 4447.193
386.205 4447.488
386.687 4462.039
387.169 4473.234
387.651 4463.438
388.133 4438.568
388.615 4409.213
389.098 4376.953
389.580 4342.990
390.062 4306.781
390.544 4268.508
391.026 4236.076
391.508 4221.779
391.990 4212.645
392.472 4196.641
392.954 4171.430
393.437 4140.312
393.919 4106.355
394.401 4069.248
394.883 4024.252
395.365 3949.846
395.847 3883.848
396.329 3848.969
396.811 3862.711
397.293 3868.021
397.776 3846.029
398.258 3812.314
398.740 3789.236
399.222 3789.166
399.704 3787.895
400.186 3784.650
400.668 3781.408
401.151 3752.918
401.633 3673.658
402.115 3591.848
402.597 3551.168
403.079 3576.516
403.561 3588.498
404.043 3575.666
404.525 3541.365
405.007 3498.254
405.490 3441.166
405.972 3388.127
406.454 3351.711
406.936 3332.750
407.418 3315.949
407.900 3303.057
408.382 3287.514
408.864 3254.527
409.346 3203.963
409.828 3149.879
410.311 3088.021
410.793 3027.410
411.275 2981.100
411.757 2942.906
412.239 2905.115
412.721 2884.172
413.203 2859.203
413.685 2830.377
414.168 2786.029
414.650 2761.615
415.132 2729.311
415.614 2696.965
416.096 2675.889
416.578 2634.215
417.060 2612.762
417.542 2581.623
418.025 2515.895
418.507 2509.168
418.989 2481.902
419.471 2440.934
419.953 2399.084
420.435 2365.846
420.917 2330.412
421.399 2289.078
421.881 2242.104
422.364 2187.838
422.846 2109.898
423.328 2031.824
423.810 1978.820
424.292 1993.314
424.774 1988.723
425.256 1939.115
425.738 1849.082
426.220 1785.980
426.703 1766.236
427.185 1754.332
427.667 1732.814
428.149 1703.619
428.631 1657.664
429.113 1585.480
429.595 1500.314
430.077 1428.893
430.560 1369.023
431.042 1329.344
431.524 1324.457
432.006 1351.963
432.488 1346.570
432.970 1301.506
433.452 1250.385
433.934 1237.791
434.417 1258.197
434.899 1260.756
435.381 1226.803
435.863 1172.108
436.345 1118.923
436.827 1068.526
437.309 1031.029
437.791 1023.148
438.273 1030.437
438.755 1034.029
439.238 1033.573
439.720 1019.683
440.202 970.508
440.684 902.632
441.166 848.439
441.648 839.294
442.130 835.635
442.612 810.541
443.095 761.522
443.577 718.650
444.059 695.222
444.541 680.957
445.023 667.317
445.505 651.930
445.987 637.979
446.469 636.121
446.952 639.187
447.434 616.826
447.916 546.697
448.398 473.151
448.880 413.058
449.362 367.246
449.844 330.938
450.326 307.650
450.808 290.655
451.290 271.373
451.773 249.795
452.255 226.768
452.737 202.763
453.219 177.551
453.701 144.441
454.183 101.204
454.665 63.301
455.147 47.218
455.630 49.488
456.112 44.170
456.594 27.012
457.076 3.646
457.558 16.581
458.040 34.847
458.522 56.346
459.004 85.534
459.487 118.705
459.969 156.330
460.451 197.970
460.933 229.927
461.415 237.771
461.897 230.524
462.379 218.534
462.861 199.754
463.343 182.602
463.826 161.806
464.308 143.576
464.790 149.584
465.272 208.665
465.754 276.016
466.236 333.316
466.718 384.051
467.200 413.479
467.682 413.326
468.165 394.921
468.647 369.321
469.129 324.088
469.611 292.606
470.093 285.979
470.575 300.805
471.057 302.654
471.539 282.729
472.022 270.048
472.504 294.130
472.986 359.606
473.468 390.011
473.950 372.073
474.432 332.914
474.914 314.541
475.396 315.115
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