#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:44 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1175 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000594.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_1000594
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 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            R060665.rod
_rod_data_source.block           3500000
_rod_database.code               1000594
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
96.38110 0.0000000E+00
96.86321 14.67139
97.34533 28.00928
97.82745 28.14600
98.30956 28.96143
98.79168 31.77686
99.27380 37.37598
99.75591 44.99414
100.2380 54.32812
100.7201 61.56641
101.2023 59.90088
101.6844 45.31885
102.1665 30.31641
102.6486 19.20166
103.1307 10.64893
103.6128 3.222656
104.0950 3.631836
104.5771 8.453613
105.0592 12.61328
105.5413 15.69727
106.0234 16.07520
106.5055 12.24854
106.9877 5.346680
107.4698 0.4384770
107.9519 2.981934
108.4340 6.335449
108.9161 12.62646
109.3982 20.95752
109.8804 29.16064
110.3625 34.99463
110.8446 37.62598
111.3267 41.73486
111.8088 47.47021
112.2909 54.28613
112.7731 61.83057
113.2552 70.06152
113.7373 79.26611
114.2194 89.79248
114.7015 101.6562
115.1836 115.2578
115.6658 133.0322
116.1479 151.3901
116.6300 166.2061
117.1121 175.8677
117.5942 183.0234
118.0763 194.1235
118.5584 210.6982
119.0406 226.9639
119.5227 239.5771
120.0048 250.2773
120.4869 263.9102
120.9690 282.5254
121.4511 305.8838
121.9333 332.1519
122.4154 362.5400
122.8975 393.6216
123.3796 421.4365
123.8617 445.4424
124.3438 470.9297
124.8260 502.3037
125.3081 535.6489
125.7902 567.2085
126.2723 594.4648
126.7544 620.4126
127.2365 651.7969
127.7187 691.3628
128.2008 732.4365
128.6829 772.0679
129.1650 811.9678
129.6471 854.3594
130.1292 900.8730
130.6114 951.3086
131.0935 1002.200
131.5756 1051.911
132.0577 1104.158
132.5398 1159.743
133.0219 1218.740
133.5041 1280.536
133.9862 1344.757
134.4683 1411.663
134.9504 1481.912
135.4325 1554.160
135.9146 1630.052
136.3968 1711.330
136.8789 1797.709
137.3610 1886.374
137.8431 1972.674
138.3252 2055.885
138.8073 2143.643
139.2895 2237.414
139.7716 2335.739
140.2537 2437.411
140.7358 2541.916
141.2179 2649.164
141.7000 2758.299
142.1821 2868.740
142.6643 2982.537
143.1464 3100.791
143.6285 3223.056
144.1106 3348.510
144.5927 3477.263
145.0748 3609.164
145.5570 3743.836
146.0391 3881.035
146.5212 4020.875
147.0033 4163.868
147.4854 4310.481
147.9675 4457.655
148.4497 4606.011
148.9318 4755.425
149.4139 4906.583
149.8960 5058.965
150.3781 5212.542
150.8602 5366.042
151.3424 5522.145
151.8245 5674.711
152.3066 5823.113
152.7887 5969.098
153.2708 6117.113
153.7529 6267.718
154.2351 6415.393
154.7172 6549.486
155.1993 6657.001
155.6814 6764.242
156.1635 6876.894
156.6456 6988.836
157.1278 7093.058
157.6099 7186.387
158.0920 7268.528
158.5741 7336.657
159.0562 7390.272
159.5383 7433.177
160.0205 7462.966
160.5026 7482.170
160.9847 7497.078
161.4668 7512.253
161.9489 7524.377
162.4310 7522.509
162.9131 7507.159
163.3953 7479.524
163.8774 7439.148
164.3595 7386.466
164.8416 7325.354
165.3237 7258.039
165.8058 7182.492
166.2880 7096.027
166.7701 6994.829
167.2522 6884.797
167.7343 6773.699
168.2164 6662.947
168.6985 6545.316
169.1807 6416.457
169.6628 6279.056
170.1449 6133.319
170.6270 5977.666
171.1091 5815.374
171.5912 5653.903
172.0734 5493.545
172.5555 5333.595
173.0376 5171.104
173.5197 5008.107
174.0018 4846.366
174.4839 4687.359
174.9661 4531.025
175.4482 4378.918
175.9303 4230.902
176.4124 4088.002
176.8945 3951.522
177.3766 3820.250
177.8588 3693.397
178.3409 3569.346
178.8230 3447.801
179.3051 3335.084
179.7872 3236.392
180.2693 3141.106
180.7515 3046.444
181.2336 2952.617
181.7157 2862.246
182.1978 2777.429
182.6799 2698.511
183.1620 2622.902
183.6441 2549.876
184.1263 2479.816
184.6084 2414.055
185.0905 2352.137
185.5726 2291.793
186.0547 2231.111
186.5368 2169.884
187.0190 2112.362
187.5011 2061.439
187.9832 2012.611
188.4653 1962.549
188.9474 1911.152
189.4296 1859.803
189.9117 1809.034
190.3938 1759.370
190.8759 1714.271
191.3580 1676.982
191.8401 1643.377
192.3223 1608.813
192.8044 1572.599
193.2865 1536.193
193.7686 1499.870
194.2507 1463.978
194.7328 1430.835
195.2150 1403.187
195.6971 1378.299
196.1792 1349.806
196.6613 1315.132
197.1434 1281.150
197.6255 1253.453
198.1077 1230.271
198.5898 1208.274
199.0719 1185.557
199.5540 1162.063
200.0361 1138.792
200.5182 1116.393
201.0004 1093.099
201.4825 1067.382
201.9646 1040.200
202.4467 1014.371
202.9288 992.8103
203.4109 975.1787
203.8930 955.0742
204.3752 929.4128
204.8573 904.2822
205.3394 882.9814
205.8215 864.4497
206.3036 845.5210
206.7857 823.5925
207.2679 798.5508
207.7500 774.3933
208.2321 750.5469
208.7142 728.0657
209.1963 707.6304
209.6784 688.9634
210.1606 671.4729
210.6427 654.9739
211.1248 640.0464
211.6069 623.0039
212.0890 601.4551
212.5711 580.0986
213.0533 560.5017
213.5354 542.8857
214.0175 526.4927
214.4996 510.5623
214.9817 494.9568
215.4638 480.7712
215.9460 468.8801
216.4281 457.0137
216.9102 443.9722
217.3923 429.9812
217.8744 415.6885
218.3565 401.5820
218.8387 387.5886
219.3208 374.7014
219.8029 363.7310
220.2850 352.8962
220.7671 341.1282
221.2492 328.4226
221.7314 315.2986
222.2135 301.8315
222.6956 288.0767
223.1777 276.2769
223.6598 268.1846
224.1419 260.7065
224.6240 251.3313
225.1062 239.9751
225.5883 228.9207
226.0704 220.5789
226.5525 214.4712
227.0346 206.1870
227.5167 192.7913
227.9989 178.8467
228.4810 169.2585
228.9631 164.3789
229.4452 160.2112
229.9273 154.2407
230.4094 146.8691
230.8916 139.0569
231.3737 130.5815
231.8558 121.9583
232.3379 113.6895
232.8200 105.7637
233.3021 98.30884
233.7843 91.59766
234.2664 85.31787
234.7485 78.86792
235.2306 71.11011
235.7127 63.95581
236.1948 60.98608
236.6770 63.52026
237.1591 64.40088
237.6412 57.78394
238.1233 48.05200
238.6054 39.79858
239.0875 34.80981
239.5697 31.33618
240.0518 26.54858
240.5339 19.80566
241.0160 13.64795
241.4981 9.191650
241.9802 5.672852
242.4624 2.454102
242.9445 0.6733400
243.4266 3.508301
243.9087 5.670166
244.3908 7.005859
244.8729 8.008057
245.3550 8.906006
245.8372 9.538574
246.3193 9.536865
246.8014 8.742676
247.2835 7.790283
247.7656 8.020508
248.2477 9.991943
248.7299 11.81812
249.2120 12.75610
249.6941 13.65698
250.1762 15.25244
250.6583 17.76050
251.1404 20.62793
251.6226 23.05298
252.1047 24.80957
252.5868 26.45898
253.0689 28.44800
253.5510 30.10132
254.0331 30.68970
254.5153 30.12427
254.9974 29.34399
255.4795 30.07764
255.9616 33.77222
256.4437 35.68799
256.9258 34.94360
257.4080 33.31763
257.8901 31.82275
258.3722 30.71069
258.8543 29.83716
259.3364 28.99121
259.8185 28.05078
260.3007 27.47852
260.7828 28.18921
261.2649 28.58740
261.7470 27.40356
262.2291 24.69385
262.7112 21.52295
263.1934 19.08594
263.6755 17.44092
264.1576 16.47974
264.6397 16.73853
265.1218 17.09644
265.6039 17.11182
266.0861 16.64282
266.5682 15.58154
267.0503 13.71924
267.5324 10.83130
268.0145 8.508057
268.4966 7.361572
268.9788 6.118164
269.4609 3.757813
269.9430 0.5915530
270.4251 2.138184
270.9072 3.326660
271.3893 2.936035
271.8715 3.020996
272.3536 3.103760
272.8357 3.994873
273.3178 6.958496
273.7999 11.16675
274.2820 14.35181
274.7642 14.79639
275.2463 12.79907
275.7284 12.20190
276.2105 13.00439
276.6926 14.75732
277.1747 18.12378
277.6568 22.32349
278.1389 25.61548
278.6211 26.93604
279.1032 26.81543
279.5853 27.50830
280.0674 29.57495
280.5495 31.59668
281.0316 33.22656
281.5138 34.57959
281.9959 35.85400
282.4780 37.14771
282.9601 38.40698
283.4422 39.61597
283.9243 41.07568
284.4065 41.95654
284.8886 41.01416
285.3707 39.67383
285.8528 40.59253
286.3349 44.89795
286.8170 50.05908
287.2992 51.29663
287.7813 47.11401
288.2634 44.51465
288.7455 45.52002
289.2276 48.33203
289.7097 50.98877
290.1919 53.05762
290.6740 54.76440
291.1561 56.26099
291.6382 57.50830
292.1203 58.93652
292.6024 60.58423
293.0846 62.42896
293.5667 64.47827
294.0488 66.71985
294.5309 69.05444
295.0130 71.39734
295.4951 73.70947
295.9773 75.87146
296.4594 78.43420
296.9415 80.45361
297.4236 80.58423
297.9057 79.00659
298.3878 77.90161
298.8700 78.84851
299.3521 81.71094
299.8342 84.60730
300.3163 88.47424
300.7984 91.50708
301.2805 91.74817
301.7627 89.86938
302.2448 89.10107
302.7269 91.53101
303.2090 95.91565
303.6911 98.44641
304.1732 98.63647
304.6554 98.15320
305.1375 97.09790
305.6196 95.83264
306.1017 95.50879
306.5838 96.88037
307.0659 99.00610
307.5481 99.77820
308.0302 98.71167
308.5123 98.15625
308.9944 99.88232
309.4765 102.4283
309.9586 102.9877
310.4408 100.5947
310.9229 97.18567
311.4050 95.31030
311.8871 94.96985
312.3692 95.29773
312.8513 96.61475
313.3335 98.19324
313.8156 99.06787
314.2977 99.22009
314.7798 99.25757
315.2619 99.72498
315.7440 100.5573
316.2262 100.9664
316.7083 100.2340
317.1904 99.49243
317.6725 99.95654
318.1546 101.5366
318.6367 102.7643
319.1188 102.5985
319.6010 101.4377
320.0831 100.9956
320.5652 101.1654
321.0473 102.1443
321.5294 104.9275
322.0115 108.7764
322.4937 110.8479
322.9758 109.2153
323.4579 105.7917
323.9400 105.5450
324.4221 109.5251
324.9042 113.8843
325.3864 117.9237
325.8685 121.3715
326.3506 123.2122
326.8327 122.7527
327.3148 122.2311
327.7969 125.9149
328.2791 134.7924
328.7612 141.2043
329.2433 141.3516
329.7254 139.3127
330.2075 139.8318
330.6896 143.7703
331.1718 149.1516
331.6539 154.1038
332.1360 158.4950
332.6181 163.0536
333.1002 168.3208
333.5823 173.2612
334.0645 176.7256
334.5466 178.9287
335.0287 181.5330
335.5108 185.6509
335.9929 191.1311
336.4750 196.6890
336.9572 202.9906
337.4393 208.6766
337.9214 212.6959
338.4035 215.6538
338.8856 218.9421
339.3677 223.2047
339.8499 228.1716
340.3320 233.2048
340.8141 238.7018
341.2962 243.5443
341.7783 247.3069
342.2604 250.3757
342.7426 253.0231
343.2247 255.3190
343.7068 257.7601
344.1889 261.0620
344.6710 265.6029
345.1531 270.0154
345.6353 274.5232
346.1174 278.7035
346.5995 282.0129
347.0816 284.5322
347.5637 287.0541
348.0458 290.2720
348.5280 294.2354
349.0101 298.1572
349.4922 303.3956
349.9743 307.2800
350.4564 307.5232
350.9385 305.4697
351.4207 304.3557
351.9028 306.1906
352.3849 310.1448
352.8670 312.6360
353.3491 312.1010
353.8312 312.0599
354.3134 313.0017
354.7955 314.6344
355.2776 316.8937
355.7597 319.7086
356.2418 322.4037
356.7239 323.8068
357.2061 323.2122
357.6882 322.6697
358.1703 322.0051
358.6524 321.5028
359.1345 321.3455
359.6166 321.5315
360.0987 322.0537
360.5808 323.0487
361.0630 324.7057
361.5451 324.9653
362.0272 322.8431
362.5093 320.4264
362.9914 317.9664
363.4735 315.7437
363.9557 314.4775
364.4378 314.7607
364.9199 315.8668
365.4020 314.5607
365.8841 308.2883
366.3662 303.0322
366.8484 299.3445
367.3305 297.0615
367.8126 296.7440
368.2947 298.3553
368.7768 299.9170
369.2589 297.9084
369.7411 290.3855
370.2232 284.6274
370.7053 282.6121
371.1874 280.8383
371.6695 277.1116
372.1516 271.6750
372.6338 266.3132
373.1159 262.8191
373.5980 261.1188
374.0801 258.4637
374.5622 253.3175
375.0443 249.1177
375.5265 247.9907
376.0086 248.2610
376.4907 247.3165
376.9728 243.7375
377.4549 238.5472
377.9370 233.6809
378.4192 228.6866
378.9013 225.3584
379.3834 226.6746
379.8655 228.3281
380.3476 226.2632
380.8297 219.7368
381.3119 212.8145
381.7940 210.3529
382.2761 212.2220
382.7582 212.0366
383.2403 207.5579
383.7224 202.4952
384.2046 199.8618
384.6867 198.9597
385.1688 197.0553
385.6509 191.2102
386.1330 183.6431
386.6151 179.7157
387.0973 180.2643
387.5794 181.5066
388.0615 181.8270
388.5436 181.3245
389.0257 179.9248
389.5078 177.2249
389.9900 174.3068
390.4721 171.8978
390.9542 170.0032
391.4363 169.0421
391.9184 169.8066
392.4005 170.7314
392.8827 169.3251
393.3648 165.4033
393.8469 162.0671
394.3290 160.8680
394.8111 160.9194
395.2932 161.2156
395.7754 161.6978
396.2575 161.3593
396.7396 158.7900
397.2217 154.2589
397.7038 151.0300
398.1859 149.6096
398.6681 149.1553
399.1501 149.9103
399.6323 151.3350
400.1144 151.4038
400.5965 148.8153
401.0786 144.7194
401.5607 142.6108
402.0428 143.8813
402.5250 144.2781
403.0071 142.3201
403.4892 139.4192
403.9713 137.2147
404.4534 136.0953
404.9355 135.3652
405.4177 134.1785
405.8998 132.3451
406.3819 131.0759
406.8640 131.5406
407.3461 131.5354
407.8282 129.1058
408.3104 125.3024
408.7925 122.8738
409.2746 123.5363
409.7567 126.4208
410.2388 127.8970
410.7209 126.0171
411.2031 125.3135
411.6852 128.1697
412.1673 131.4733
412.6494 131.8829
413.1315 128.6678
413.6136 123.9868
414.0958 120.8145
414.5779 119.6460
415.0600 117.3591
415.5421 112.3285
416.0242 107.9786
416.5063 106.2848
416.9885 106.4364
417.4706 106.2686
417.9527 104.0299
418.4348 100.4534
418.9169 98.70898
419.3990 100.1505
419.8812 101.0677
420.3633 99.72644
420.8454 97.47644
421.3275 95.60547
421.8096 94.48694
422.2917 93.53125
422.7739 91.92651
423.2560 89.82458
423.7381 88.66772
424.2202 89.09644
424.7023 89.53284
425.1844 88.93604
425.6666 87.51868
426.1487 85.75598
426.6308 83.71082
427.1129 81.42249
427.5950 78.98511
428.0771 76.37769
428.5593 73.75964
429.0414 70.84375
429.5235 68.22095
430.0056 67.15308
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