#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:47:41 +0300 (Thu, 24 May 2018) $
#$Revision: 776 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000274.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_1000274
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 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            R080139.rod
_rod_data_source.block           3500000
_rod_database.code               1000274
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
143.0764 0.0000000E+00
143.5585 97.92383
144.0406 147.8369
144.5228 126.0625
145.0049 130.0928
145.4870 77.90918
145.9691 13.86328
146.4512 35.19336
146.9333 59.72559
147.4155 54.21191
147.8976 21.62988
148.3797 8.155273
148.8618 22.43652
149.3439 41.84863
149.8260 79.17480
150.3082 113.3633
150.7903 188.2705
151.2724 306.5498
151.7545 466.6152
152.2366 672.2207
152.7188 924.0771
153.2009 1219.312
153.6830 1552.402
154.1651 1916.125
154.6472 2323.618
155.1293 2781.687
155.6115 3298.155
156.0936 3813.189
156.5757 4310.556
157.0578 4805.707
157.5399 5308.021
158.0220 5825.082
158.5042 6347.566
158.9863 6863.258
159.4684 7367.710
159.9505 7890.433
160.4326 8428.013
160.9147 8988.175
161.3969 9582.252
161.8790 10187.36
162.3611 10846.58
162.8432 11581.95
163.3253 12385.23
163.8074 13274.29
164.2896 14250.13
164.7717 15315.43
165.2538 16476.13
165.7359 17715.32
166.2180 19060.20
166.7001 20547.63
167.1823 22196.91
167.6644 23920.50
168.1465 25710.02
168.6286 27538.23
169.1107 29327.23
169.5928 31137.02
170.0750 32837.84
170.5571 34350.26
171.0392 35717.39
171.5213 36757.38
172.0034 37373.41
172.4855 37552.62
172.9677 37228.71
173.4498 36235.84
173.9319 34749.82
174.4140 32990.71
174.8961 30869.17
175.3782 28665.03
175.8604 26565.69
176.3425 24569.16
176.8246 22750.02
177.3067 21144.38
177.7888 19731.01
178.2709 18494.77
178.7531 17433.28
179.2352 16525.09
179.7173 15738.64
180.1994 15069.23
180.6815 14513.11
181.1636 14080.77
181.6458 13762.44
182.1279 13544.52
182.6100 13422.16
183.0921 13394.32
183.5742 13461.11
184.0563 13621.97
184.5385 13864.62
185.0206 14184.20
185.5027 14578.39
185.9848 15020.78
186.4669 15500.64
186.9490 16022.27
187.4312 16621.08
187.9133 17288.58
188.3954 18017.64
188.8775 18789.94
189.3596 19602.09
189.8417 20465.14
190.3239 21372.90
190.8060 22333.02
191.2881 23353.35
191.7702 24446.85
192.2523 25598.77
192.7344 26787.66
193.2166 28002.20
193.6987 29220.42
194.1808 30465.83
194.6629 31724.27
195.1450 32939.21
195.6271 34113.21
196.1093 35204.59
196.5914 36176.15
197.0735 37022.48
197.5556 37724.04
198.0377 38301.72
198.5198 38751.30
199.0020 38948.22
199.4841 38900.27
199.9662 38657.50
200.4483 38284.16
200.9304 37779.20
201.4125 37159.52
201.8947 36418.80
202.3768 35551.71
202.8589 34629.80
203.3410 33640.00
203.8231 32610.46
204.3052 31599.19
204.7874 30595.78
205.2695 29635.38
205.7516 28725.89
206.2337 27861.81
206.7158 27079.16
207.1979 26375.73
207.6801 25753.36
208.1622 25228.61
208.6443 24803.59
209.1264 24457.57
209.6085 24182.89
210.0906 23980.53
210.5728 23842.37
211.0549 23766.06
211.5370 23756.54
212.0191 23832.79
212.5012 24010.40
212.9833 24236.73
213.4655 24495.12
213.9476 24801.49
214.4297 25091.99
214.9118 25383.41
215.3939 25648.99
215.8760 25841.14
216.3581 25984.81
216.8403 26000.15
217.3224 25850.71
217.8045 25531.64
218.2866 25055.92
218.7687 24416.16
219.2508 23622.08
219.7330 22706.91
220.2151 21639.43
220.6972 20510.55
221.1793 19366.60
221.6614 18174.87
222.1435 17027.31
222.6257 15912.13
223.1078 14843.01
223.5899 13824.30
224.0720 12839.66
224.5541 11928.51
225.0362 11091.80
225.5184 10344.35
226.0005 9654.103
226.4826 9023.238
226.9647 8447.109
227.4468 7892.912
227.9289 7362.521
228.4111 6858.318
228.8932 6382.982
229.3753 5945.291
229.8574 5519.359
230.3395 5110.080
230.8216 4715.186
231.3038 4317.867
231.7859 3905.975
232.2680 3513.417
232.7501 3156.321
233.2322 2844.284
233.7143 2546.505
234.1965 2257.916
234.6786 1982.419
235.1607 1727.065
235.6428 1490.708
236.1249 1275.566
236.6070 1083.764
237.0892 921.5986
237.5713 768.8154
238.0534 627.5820
238.5355 495.0117
239.0176 363.7148
239.4997 227.2930
239.9819 98.56934
240.4640 15.94727
240.9461 115.0449
241.4282 204.6094
241.9103 284.4404
242.3924 354.7227
242.8746 414.6201
243.3567 457.0488
243.8388 499.6465
244.3209 551.1553
244.8030 618.5459
245.2851 674.8164
245.7673 720.9590
246.2494 755.4434
246.7315 774.6191
247.2136 775.7383
247.6957 765.6904
248.1778 744.2002
248.6600 703.8711
249.1421 676.7988
249.6242 675.3525
250.1063 680.7500
250.5884 654.9229
251.0705 584.8291
251.5527 505.8496
252.0348 433.7061
252.5169 375.4219
252.9990 295.9863
253.4811 190.4873
253.9632 66.04297
254.4454 61.94824
254.9275 188.9453
255.4096 329.7480
255.8917 490.1338
256.3738 670.6260
256.8560 864.3594
257.3381 1071.542
257.8202 1293.198
258.3023 1535.897
258.7844 1798.742
259.2665 2078.926
259.7487 2376.717
260.2308 2690.881
260.7129 3022.135
261.1950 3370.087
261.6771 3733.632
262.1592 4110.104
262.6414 4493.160
263.1235 4897.010
263.6056 5323.003
264.0877 5775.884
264.5698 6235.301
265.0519 6694.752
265.5341 7167.407
266.0162 7677.516
266.4983 8229.585
266.9804 8794.211
267.4625 9368.812
267.9446 9948.631
268.4268 10556.62
268.9089 11193.10
269.3910 11835.69
269.8731 12468.22
270.3552 13087.00
270.8373 13695.35
271.3195 14307.06
271.8016 14915.16
272.2837 15480.99
272.7658 16021.61
273.2479 16496.47
273.7300 16883.68
274.2122 17185.19
274.6943 17384.72
275.1764 17481.17
275.6585 17471.84
276.1406 17337.34
276.6227 17072.43
277.1049 16701.24
277.5870 16232.59
278.0691 15663.08
278.5512 15034.62
279.0333 14346.13
279.5154 13607.16
279.9976 12840.92
280.4797 12039.10
280.9618 11241.88
281.4439 10458.68
281.9260 9692.762
282.4081 8932.284
282.8903 8164.621
283.3724 7413.375
283.8545 6737.206
284.3366 6138.646
284.8187 5585.557
285.3008 5063.912
285.7830 4570.378
286.2651 4121.290
286.7472 3716.891
287.2293 3352.843
287.7114 3022.888
288.1935 2726.967
288.6757 2461.479
289.1578 2228.849
289.6399 2026.154
290.1220 1848.888
290.6041 1694.512
291.0862 1568.666
291.5684 1482.294
292.0505 1433.793
292.5326 1410.277
293.0147 1407.088
293.4968 1423.756
293.9789 1461.039
294.4611 1519.592
294.9432 1592.643
295.4253 1669.388
295.9074 1753.188
296.3895 1855.373
296.8716 1981.713
297.3538 2129.942
297.8359 2295.981
298.3180 2478.605
298.8001 2669.540
299.2822 2858.155
299.7643 3052.424
300.2465 3268.609
300.7286 3514.777
301.2107 3785.383
301.6928 4080.532
302.1749 4396.053
302.6570 4722.066
303.1392 5042.527
303.6213 5369.204
304.1034 5715.703
304.5855 6109.399
305.0676 6505.623
305.5497 6881.812
306.0319 7233.408
306.5140 7556.807
306.9961 7858.883
307.4782 8118.628
307.9603 8318.100
308.4424 8456.286
308.9246 8530.036
309.4067 8529.066
309.8888 8458.854
310.3709 8335.183
310.8530 8147.604
311.3351 7924.816
311.8173 7683.398
312.2994 7411.141
312.7815 7152.650
313.2636 6927.502
313.7457 6736.055
314.2278 6578.092
314.7100 6457.459
315.1921 6370.039
315.6742 6310.779
316.1563 6277.229
316.6384 6285.525
317.1205 6358.988
317.6027 6474.226
318.0848 6601.398
318.5669 6759.555
319.0490 6902.558
319.5311 7005.266
320.0132 7065.040
320.4954 7126.097
320.9775 7228.344
321.4596 7323.368
321.9417 7368.256
322.4238 7361.544
322.9059 7296.389
323.3881 7169.164
323.8702 6981.359
324.3523 6739.854
324.8344 6409.936
325.3165 6050.648
325.7986 5694.084
326.2808 5344.826
326.7629 4996.434
327.2450 4640.201
327.7271 4282.632
328.2092 3947.875
328.6913 3626.384
329.1735 3336.834
329.6556 3080.948
330.1377 2854.299
330.6198 2669.685
331.1019 2533.032
331.5840 2436.818
332.0662 2363.882
332.5483 2307.979
333.0304 2283.936
333.5125 2298.879
333.9946 2356.651
334.4767 2431.741
334.9589 2523.290
335.4410 2631.807
335.9231 2757.725
336.4052 2898.680
336.8873 3061.557
337.3694 3252.734
337.8516 3469.603
338.3336 3676.864
338.8158 3869.445
339.2979 4064.918
339.7800 4286.607
340.2621 4537.635
340.7442 4782.426
341.2263 5006.311
341.7085 5220.879
342.1906 5455.772
342.6727 5715.851
343.1548 5978.600
343.6369 6238.953
344.1190 6493.583
344.6012 6723.697
345.0833 6922.766
345.5654 7101.213
346.0475 7274.572
346.5296 7442.117
347.0117 7606.455
347.4939 7779.982
347.9760 7950.293
348.4581 8079.012
348.9402 8161.773
349.4223 8213.992
349.9044 8252.009
350.3866 8274.986
350.8687 8281.399
351.3508 8273.034
351.8329 8246.061
352.3150 8190.532
352.7971 8107.430
353.2793 8016.511
353.7614 7931.652
354.2435 7846.232
354.7256 7748.914
355.2077 7631.619
355.6898 7509.334
356.1720 7395.740
356.6541 7286.277
357.1362 7167.187
357.6183 7013.828
358.1004 6856.048
358.5826 6720.391
359.0647 6614.178
359.5468 6521.003
360.0289 6443.332
360.5110 6372.736
360.9931 6291.762
361.4753 6180.211
361.9574 6068.860
362.4395 5972.315
362.9216 5891.759
363.4037 5819.816
363.8858 5761.981
364.3680 5708.778
364.8501 5650.180
365.3322 5582.703
365.8143 5513.590
366.2964 5451.487
366.7785 5396.078
367.2607 5318.468
367.7428 5193.151
368.2249 5056.887
368.7070 4933.490
369.1891 4847.103
369.6712 4746.745
370.1534 4625.688
370.6355 4487.587
371.1176 4346.471
371.5997 4201.971
372.0818 4053.906
372.5639 3899.734
373.0461 3734.826
373.5282 3574.501
374.0103 3419.047
374.4924 3263.650
374.9745 3101.916
375.4566 2928.480
375.9388 2761.730
376.4209 2609.147
376.9030 2468.350
377.3851 2334.127
377.8672 2203.647
378.3493 2083.491
378.8315 1983.535
379.3136 1903.229
379.7957 1830.646
380.2778 1763.419
380.7599 1701.980
381.2420 1641.291
381.7242 1582.707
382.2063 1536.231
382.6884 1513.701
383.1705 1509.486
383.6526 1504.497
384.1347 1494.836
384.6169 1491.318
385.0990 1513.878
385.5811 1555.595
386.0632 1594.625
386.5453 1620.552
387.0274 1637.974
387.5096 1650.019
387.9917 1657.021
388.4738 1667.028
388.9559 1694.590
389.4380 1727.151
389.9201 1747.896
390.4023 1748.640
390.8844 1739.798
391.3665 1727.593
391.8486 1711.344
392.3307 1689.649
392.8128 1659.200
393.2950 1624.582
393.7771 1587.924
394.2592 1549.274
394.7413 1509.323
395.2234 1470.656
395.7055 1430.555
396.1877 1384.892
396.6698 1324.711
397.1519 1266.455
397.6340 1216.363
398.1161 1176.132
398.5982 1131.284
399.0804 1080.920
399.5625 1025.939
400.0446 967.0039
400.5267 901.9883
401.0088 836.4355
401.4909 771.8818
401.9731 707.8691
402.4552 643.7959
402.9373 579.8252
403.4194 515.6387
403.9015 449.6660
404.3836 379.0342
404.8658 318.4521
405.3479 271.8350
405.8300 230.7734
406.3121 181.5098
406.7942 122.7383
407.2763 62.79102
407.7585 0.3554690
408.2406 62.09375
408.7227 104.4834
409.2048 124.8115
409.6869 141.0908
410.1690 172.1094
410.6512 213.6045
411.1333 246.5186
411.6154 265.4385
412.0975 277.6191
412.5796 297.2402
413.0617 321.7344
413.5439 339.4072
414.0260 338.0518
414.5081 328.3350
414.9902 326.2949
415.4723 333.9951
415.9544 340.3252
416.4366 333.2803
416.9187 319.3760
417.4008 308.3652
417.8829 306.6191
418.3650 306.7031
418.8471 308.2607
419.3293 309.6172
419.8114 302.3877
420.2935 278.0850
420.7756 246.9297
421.2577 215.1006
421.7398 181.3574
422.2220 151.0791
422.7041 126.0234
423.1862 104.9531
423.6683 85.66406
424.1504 77.30762
424.6325 61.22656
425.1147 27.79297
425.5968 26.70117
426.0789 65.35156
426.5610 74.68262
427.0431 80.45215
427.5252 105.1016
428.0074 159.7754
428.4895 207.2939
428.9716 242.7021
429.4537 268.2168
429.9358 289.0273
430.4179 303.1631
430.9001 319.1738
431.3822 344.1387
431.8643 378.3350
432.3464 401.2529
432.8285 410.3008
433.3106 416.3896
433.7928 433.5254
434.2749 460.6689
434.7570 489.1797
435.2391 517.2070
435.7212 544.3867
436.2033 568.3135
436.6855 589.5811
437.1676 614.0508
437.6497 648.0195
438.1318 687.4775
438.6139 725.7178
439.0960 761.1240
439.5782 797.4453
440.0603 840.1191
440.5424 885.7891
441.0245 928.0010
441.5066 963.1465
441.9887 994.8418
442.4709 1022.650
442.9530 1046.916
443.4351 1075.555
443.9172 1112.855
444.3993 1154.814
444.8814 1198.731
445.3636 1250.292
445.8457 1294.912
446.3278 1327.344
446.8099 1351.416
447.2920 1376.758
447.7741 1409.461
448.2563 1437.762
448.7384 1457.510
449.2205 1467.109
449.7026 1477.830
450.1847 1493.025
450.6668 1505.427
451.1490 1507.022
451.6311 1494.397
452.1132 1484.350
452.5953 1480.209
453.0774 1480.054
453.5595 1476.660
454.0417 1469.234
454.5238 1456.870
455.0059 1433.870
455.4880 1405.016
455.9701 1391.790
456.4522 1396.775
456.9344 1405.419
457.4165 1396.862
457.8986 1377.693
458.3807 1369.343
458.8628 1384.065
459.3449 1408.815
459.8271 1429.181
460.3092 1446.147
460.7913 1464.415
461.2734 1484.652
461.7555 1509.626
462.2376 1542.487
462.7198 1584.639
463.2019 1630.146
463.6840 1676.148
464.1661 1723.734
464.6482 1774.265
465.1303 1824.432
465.6125 1880.588
466.0946 1946.681
466.5767 2021.174
467.0588 2089.555
467.5409 2138.174
468.0230 2191.249
468.5052 2260.855
468.9873 2358.675
469.4694 2445.225
469.9515 2515.334
470.4336 2579.007
470.9157 2653.357
471.3979 2743.785
471.8800 2827.188
472.3621 2895.944
472.8442 2953.061
473.3263 3015.632
473.8084 3083.667
474.2906 3158.427
474.7727 3247.981
475.2548 3346.720
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