#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:40 +0300 (Thu, 26 Apr 2018) $
#$Revision: 550 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000098.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_1000098
loop_
_publ_author_name
'Mereiter, K.'
'Preisinger, A.'
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
 Locality: Schneeberg, Saxony, Germany
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  123
_journal_year                    1986
_chemical_compound_source        R080139
_chemical_formula_sum            'As Bi2 H O6'
_chemical_name_mineral           Atelestite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.08
_cell_angle_gamma                90
_cell_length_a                   7.000
_cell_length_b                   7.430
_cell_length_c                   10.831
_cell_volume                     538.475
_exptl_crystal_density_diffrn    7.276
_cod_original_formula_sum        'Bi2 As O6 H'
_cod_database_code               9009868
_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            R080139.rod
_rod_data_source.block           3500000
_rod_database.code               1000098
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 9009868 COD http://www.crystallography.net/cod/9009868.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.8518 0.0000000E+00
146.3340 10.69165
146.8161 19.65234
147.2982 25.51538
147.7803 20.29883
148.2624 4.761475
148.7445 5.424072
149.2267 10.95557
149.7088 9.323975
150.1909 1.665283
150.6730 11.81396
151.1551 30.19580
151.6372 53.56177
152.1194 83.20044
152.6015 121.5500
153.0836 171.4182
153.5657 222.9297
154.0478 276.7493
154.5299 331.7061
155.0121 386.9998
155.4942 442.4106
155.9763 496.6289
156.4584 546.7700
156.9405 592.6909
157.4227 638.0308
157.9048 682.3833
158.3869 726.8982
158.8690 773.1248
159.3511 820.0947
159.8332 871.9971
160.3154 933.1262
160.7975 1003.129
161.2796 1078.795
161.7617 1157.239
162.2438 1239.219
162.7259 1328.056
163.2081 1423.701
163.6902 1529.100
164.1723 1644.463
164.6544 1770.851
165.1365 1907.635
165.6186 2055.251
166.1008 2212.889
166.5829 2382.999
167.0650 2562.680
167.5471 2756.378
168.0292 2971.003
168.5113 3207.318
168.9935 3453.163
169.4756 3691.000
169.9577 3930.994
170.4398 4142.236
170.9219 4344.684
171.4040 4511.639
171.8862 4624.343
172.3683 4675.157
172.8504 4664.821
173.3325 4594.241
173.8146 4430.470
174.2967 4236.286
174.7789 3993.947
175.2610 3728.425
175.7431 3465.178
176.2252 3212.505
176.7073 2974.402
177.1894 2767.287
177.6716 2594.235
178.1537 2442.455
178.6358 2311.565
179.1179 2199.843
179.6000 2102.252
180.0821 2017.244
180.5643 1945.459
181.0464 1887.230
181.5285 1840.786
182.0106 1805.979
182.4927 1783.450
182.9749 1772.721
183.4570 1771.616
183.9391 1779.005
184.4212 1797.199
184.9033 1826.072
185.3854 1866.664
185.8676 1916.250
186.3497 1973.341
186.8318 2037.976
187.3139 2108.695
187.7960 2185.070
188.2781 2267.989
188.7603 2358.110
189.2424 2456.010
189.7245 2560.914
190.2066 2671.779
190.6887 2788.629
191.1708 2912.560
191.6530 3046.694
192.1351 3187.003
192.6172 3333.185
193.0993 3484.604
193.5814 3640.929
194.0635 3802.854
194.5457 3974.099
195.0278 4140.827
195.5099 4302.928
195.9920 4455.412
196.4741 4595.548
196.9562 4722.762
197.4384 4835.825
197.9205 4931.889
198.4026 5014.012
198.8847 5063.706
199.3668 5078.924
199.8489 5063.758
200.3311 5024.559
200.8132 4966.051
201.2953 4889.222
201.7774 4798.118
202.2595 4683.983
202.7416 4563.424
203.2238 4434.058
203.7059 4299.340
204.1880 4160.649
204.6701 4018.422
205.1522 3875.824
205.6344 3748.546
206.1165 3638.633
206.5986 3537.784
207.0807 3442.801
207.5628 3355.978
208.0449 3281.714
208.5271 3222.705
209.0092 3177.305
209.4913 3140.185
209.9734 3108.778
210.4555 3086.161
210.9376 3073.403
211.4198 3070.257
211.9019 3076.532
212.3840 3093.089
212.8661 3118.891
213.3482 3149.601
213.8303 3187.980
214.3125 3226.236
214.7946 3262.106
215.2767 3294.997
215.7588 3321.956
216.2409 3346.512
216.7230 3358.901
217.2052 3349.039
217.6873 3316.330
218.1694 3262.022
218.6515 3185.750
219.1336 3087.391
219.6157 2971.620
220.0979 2832.006
220.5800 2678.582
221.0621 2520.748
221.5442 2357.910
222.0263 2196.981
222.5084 2043.808
222.9906 1897.690
223.4727 1759.657
223.9548 1631.645
224.4369 1512.364
224.9190 1402.117
225.4011 1300.324
225.8833 1206.999
226.3654 1121.947
226.8475 1046.423
227.3296 974.9192
227.8117 907.5330
228.2938 843.2307
228.7760 783.0630
229.2581 726.7573
229.7402 672.6804
230.2223 618.2490
230.7044 562.1689
231.1866 509.5098
231.6687 462.3395
232.1508 417.5021
232.6329 372.7781
233.1150 327.7523
233.5971 284.5161
234.0793 246.1990
234.5614 214.7340
235.0435 183.7249
235.5256 150.7781
236.0077 119.6403
236.4898 92.93030
236.9720 71.10938
237.4541 52.55701
237.9362 35.28418
238.4183 19.70435
238.9004 4.819946
239.3825 9.812866
239.8647 23.51270
240.3468 35.53101
240.8289 45.95398
241.3110 55.45630
241.7931 65.12720
242.2752 75.39832
242.7574 84.19312
243.2395 92.94714
243.7216 99.46338
244.2037 101.6034
244.6858 99.48267
245.1679 95.45764
245.6501 91.92883
246.1322 88.77856
246.6143 87.01978
247.0964 87.38965
247.5785 88.43042
248.0606 89.80322
248.5428 91.18298
249.0249 91.69910
249.5070 90.83447
249.9891 88.57410
250.4712 82.11389
250.9533 68.19946
251.4355 52.92078
251.9176 41.12024
252.3997 32.63672
252.8818 22.97070
253.3639 8.190186
253.8460 12.08044
254.3282 31.95300
254.8103 49.58728
255.2924 68.27014
255.7745 90.08850
256.2566 115.0381
256.7387 141.9352
257.2209 170.0039
257.7030 199.5060
258.1851 230.8547
258.6672 265.2723
259.1493 300.3983
259.6314 333.5762
260.1136 365.2438
260.5957 399.6681
261.0778 440.8729
261.5599 486.5339
262.0420 529.1627
262.5241 565.6759
263.0063 602.7207
263.4884 645.6270
263.9705 693.8641
264.4526 742.7384
264.9347 788.6448
265.4168 834.9072
265.8990 886.4395
266.3811 944.9570
266.8632 1006.217
267.3453 1067.452
267.8275 1128.735
268.3096 1191.752
268.7917 1256.408
269.2738 1323.719
269.7559 1394.611
270.2380 1469.854
270.7202 1544.644
271.2023 1616.610
271.6844 1685.529
272.1665 1751.322
272.6486 1815.970
273.1307 1874.030
273.6129 1923.400
274.0950 1964.321
274.5771 1994.859
275.0592 2015.137
275.5413 2024.653
276.0234 2020.249
276.5056 2000.270
276.9877 1965.908
277.4698 1920.464
277.9519 1864.253
278.4340 1798.591
278.9161 1721.799
279.3983 1635.592
279.8804 1545.147
280.3625 1447.923
280.8446 1351.457
281.3267 1260.281
281.8088 1173.569
282.2910 1088.608
282.7731 1003.452
283.2552 919.2805
283.7373 839.6277
284.2194 763.4253
284.7015 694.4924
285.1837 634.6523
285.6658 581.5679
286.1479 531.6523
286.6300 483.1901
287.1121 437.3679
287.5942 397.1583
288.0764 363.0420
288.5585 333.8035
289.0406 308.9811
289.5227 288.2736
290.0048 272.1804
290.4869 260.9656
290.9691 253.4436
291.4512 247.6312
291.9333 243.5448
292.4154 241.2693
292.8975 240.3372
293.3796 241.4551
293.8618 245.7253
294.3439 253.4255
294.8260 263.0084
295.3081 271.9031
295.7902 279.1278
296.2723 289.7889
296.7545 306.5488
297.2366 324.9968
297.7187 342.5134
298.2008 359.1512
298.6829 377.4541
299.1650 399.5009
299.6472 425.3651
300.1293 454.5303
300.6114 488.0800
301.0935 524.3867
301.5756 564.7432
302.0577 607.9651
302.5399 650.7523
303.0220 688.1536
303.5041 720.6440
303.9862 762.7253
304.4683 824.7065
304.9504 884.5116
305.4326 935.0771
305.9147 977.8000
306.3968 1016.154
306.8789 1052.623
307.3610 1086.364
307.8431 1113.075
308.3253 1135.331
308.8074 1146.075
309.2895 1143.131
309.7716 1129.667
310.2537 1108.710
310.7358 1081.380
311.2180 1049.295
311.7001 1014.964
312.1822 974.3962
312.6643 937.1844
313.1464 903.7096
313.6285 874.3193
314.1107 849.0518
314.5928 827.9573
315.0749 811.3831
315.5570 799.8214
316.0392 793.1871
316.5213 792.0657
317.0034 800.2856
317.4855 811.1211
317.9676 821.0537
318.4497 829.8485
318.9319 839.4537
319.4140 852.7250
319.8961 870.3164
320.3782 885.0748
320.8603 898.1929
321.3424 906.7568
321.8246 910.7098
322.3067 909.3384
322.7888 901.2070
323.2709 885.1992
323.7530 861.5056
324.2351 831.9819
324.7173 795.4099
325.1994 753.7889
325.6815 705.1122
326.1636 652.9639
326.6457 601.3850
327.1278 552.3759
327.6100 505.7131
328.0921 460.1641
328.5742 414.0886
329.0563 372.8809
329.5384 336.5813
330.0205 305.5463
330.5027 280.9612
330.9848 263.0225
331.4669 249.5262
331.9490 237.1727
332.4311 225.3440
332.9132 217.4379
333.3954 214.8015
333.8775 215.8251
334.3596 220.6758
334.8417 228.9861
335.3238 239.2061
335.8059 250.0085
336.2881 261.4047
336.7702 273.7317
337.2523 286.2555
337.7344 300.7998
338.2165 318.3943
338.6986 338.5066
339.1808 360.0892
339.6629 382.8076
340.1450 406.4193
340.6271 430.2079
341.1092 454.2130
341.5913 478.2109
342.0735 501.3365
342.5556 524.6741
343.0377 550.2412
343.5198 579.4888
344.0019 609.1614
344.4840 633.3037
344.9662 650.8286
345.4483 668.2792
345.9304 688.8040
346.4125 709.2974
346.8946 727.5247
347.3767 743.2404
347.8589 757.1548
348.3410 770.0360
348.8231 781.8972
349.3052 791.7288
349.7873 799.9683
350.2694 805.1464
350.7516 806.1027
351.2337 803.4470
351.7158 799.5132
352.1979 796.1851
352.6800 792.6997
353.1621 786.0215
353.6443 774.7252
354.1264 763.1315
354.6085 755.0149
355.0906 748.2584
355.5727 739.2166
356.0548 725.6915
356.5370 710.3210
357.0191 696.3411
357.5012 683.9177
357.9833 672.7615
358.4654 663.7302
358.9475 655.4230
359.4297 645.7930
359.9118 634.0421
360.3939 623.3818
360.8760 617.1265
361.3581 614.3253
361.8402 609.8784
362.3224 602.0933
362.8045 593.4685
363.2866 586.0853
363.7687 579.8132
364.2508 574.8993
364.7329 573.1248
365.2151 572.1648
365.6972 567.6039
366.1793 558.5667
366.6614 548.9539
367.1436 542.0682
367.6257 536.9810
368.1078 530.7335
368.5899 522.9343
369.0720 513.6315
369.5541 502.4840
370.0363 489.7141
370.5184 476.8718
371.0005 465.1650
371.4826 453.3857
371.9647 438.6896
372.4468 420.3278
372.9290 401.5990
373.4111 383.5693
373.8932 366.0668
374.3753 349.2195
374.8574 333.0959
375.3395 317.4342
375.8217 302.2723
376.3038 287.7511
376.7859 272.4630
377.2680 254.5236
377.7501 236.9222
378.2322 222.0300
378.7144 209.9851
379.1965 199.9320
379.6786 191.2180
380.1607 183.9590
380.6428 178.5056
381.1249 175.8341
381.6071 173.6653
382.0892 170.6473
382.5713 167.6118
383.0534 166.3109
383.5355 167.5332
384.0176 170.4139
384.4998 173.0211
384.9819 174.1125
385.4640 177.1155
385.9461 184.0106
386.4282 191.6764
386.9103 197.5026
387.3925 201.0981
387.8746 203.4955
388.3567 205.6035
388.8388 207.2191
389.3209 210.1107
389.8030 216.2266
390.2852 221.4250
390.7673 224.0447
391.2494 224.5334
391.7315 224.0032
392.2136 223.1034
392.6957 221.6936
393.1779 219.2802
393.6600 214.9724
394.1421 210.8427
394.6242 208.1818
395.1063 205.1035
395.5884 199.5153
396.0706 191.0546
396.5527 181.7753
397.0348 174.3903
397.5169 169.5541
397.9990 164.2129
398.4811 158.2875
398.9633 151.9736
399.4454 145.3606
399.9275 138.4102
400.4096 130.8042
400.8917 122.1630
401.3738 112.8517
401.8560 104.5848
402.3381 98.24854
402.8202 91.30750
403.3023 82.57654
403.7844 73.09448
404.2665 63.91956
404.7487 55.39050
405.2308 46.91711
405.7129 37.54028
406.1950 27.07178
406.6771 17.78796
407.1592 10.50085
407.6414 4.268188
408.1235 1.526489
408.6056 6.915894
409.0877 11.95850
409.5698 16.90125
410.0519 21.45703
410.5341 24.73730
411.0162 26.34302
411.4983 28.07458
411.9804 31.57715
412.4625 35.78210
412.9446 38.75830
413.4268 39.73779
413.9089 40.22607
414.3910 41.39990
414.8731 43.10767
415.3553 44.70776
415.8374 46.16785
416.3195 47.13538
416.8016 47.06750
417.2837 46.04858
417.7658 44.24121
418.2480 40.77380
418.7301 37.01538
419.2122 34.87732
419.6943 34.47852
420.1764 34.03333
420.6585 32.17700
421.1407 28.96387
421.6228 25.49048
422.1049 21.43018
422.5870 17.50061
423.0691 13.78894
423.5512 10.43188
424.0334 7.854736
424.5155 6.260864
424.9976 5.000732
425.4797 2.852783
425.9618 0.5968020
426.4439 4.239014
426.9261 8.723511
427.4082 12.91809
427.8903 15.85986
428.3724 17.66174
428.8545 19.14941
429.3366 20.94470
429.8188 23.05249
430.3009 25.61377
430.7830 29.29199
431.2651 32.72095
431.7472 35.58154
432.2293 38.11902
432.7115 40.71973
433.1936 43.51282
433.6757 46.15320
434.1578 47.75269
434.6399 47.55017
435.1220 48.97864
435.6042 54.48792
436.0863 59.82373
436.5684 62.49707
437.0505 63.06921
437.5326 63.87207
438.0147 66.58862
438.4969 70.73132
438.9790 74.64514
439.4611 78.32776
439.9432 81.74524
440.4253 84.05530
440.9074 86.49890
441.3896 90.89343
441.8717 98.02844
442.3538 104.8218
442.8359 107.6217
443.3180 107.2709
443.8001 108.9762
444.2823 114.3619
444.7644 120.9152
445.2465 126.4526
445.7286 131.1219
446.2107 135.2705
446.6928 138.6418
447.1750 141.7121
447.6571 145.1820
448.1392 148.9668
448.6213 152.2083
449.1034 154.4131
449.5855 155.8788
450.0677 157.2934
450.5498 158.5590
451.0319 159.8287
451.5140 161.9032
451.9961 163.7188
452.4782 163.4354
452.9604 160.7681
453.4425 157.7806
453.9246 156.6631
454.4067 157.6735
454.8888 158.0931
455.3709 158.0349
455.8531 157.3590
456.3352 155.0110
456.8173 152.2953
457.2994 151.3745
457.7815 153.1677
458.2636 156.5609
458.7458 159.1951
459.2279 160.3682
459.7100 162.3440
460.1921 165.7499
460.6742 169.3771
461.1563 172.4597
461.6385 175.1040
462.1206 177.9001
462.6027 181.2314
463.0848 185.0359
463.5669 189.1820
464.0491 193.8025
464.5312 198.4765
465.0133 202.8754
465.4954 207.3314
465.9775 212.1648
466.4597 217.4047
466.9418 222.7820
467.4239 228.2223
467.9060 233.6295
468.3881 238.5877
468.8702 243.0271
469.3524 247.2236
469.8345 250.9195
470.3166 254.3618
470.7987 258.6074
471.2808 264.4994
471.7629 271.0920
472.2451 277.7213
472.7272 284.2976
473.2093 290.5192
473.6914 296.3453
474.1735 301.6455
474.6556 305.9926
475.1378 309.0261
475.6199 312.7670
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