#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:40 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1174 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000593.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_1000593
loop_
_publ_author_name
'Seitz, A.'
'Rosler, U.'
'Schubert, K.'
_publ_section_title
;
 Kristallstruktur von beta-Be(OH)2
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               105
_journal_volume                  261
_journal_year                    1950
_chemical_compound_source        R060659
_chemical_formula_sum            'Be H2 O2'
_chemical_name_mineral           Behoite
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.620
_cell_length_b                   7.039
_cell_length_c                   4.535
_cell_volume                     147.479
_exptl_crystal_density_diffrn    1.938
_cod_original_formula_sum        'Be (O2 H2)'
_cod_database_code               9012320
_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            R060659.rod
_rod_data_source.block           3500000
_rod_database.code               1000593
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 9012320 COD http://www.crystallography.net/cod/9012320.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
145.3697 0.0000000E+00
145.8518 0.2894130
146.3340 0.2076420
146.8161 0.1508480
147.2982 0.5695340
147.7803 1.5259000E-02
148.2624 0.4060520
148.7445 0.4320980
149.2267 0.6787870
149.7088 0.4936980
150.1909 0.4190370
150.6730 0.7894740
151.1551 0.9386600
151.6372 0.7306370
152.1194 0.9876400
152.6015 0.4117580
153.0836 0.5385590
153.5657 1.008057
154.0478 0.8012080
154.5300 1.011597
155.0121 1.063248
155.4942 0.5286710
155.9763 1.192612
156.4584 1.420288
156.9405 0.8446960
157.4227 1.420746
157.9048 0.9411320
158.3869 0.7692410
158.8690 0.9439540
159.3511 0.7806850
159.8332 1.091568
160.3154 0.9557800
160.7975 0.7485500
161.2796 0.7187960
161.7617 0.2066650
162.2438 0.6011960
162.7259 0.3820500
163.2081 0.4752200
163.6902 0.6430050
164.1723 0.2817690
164.6544 0.4904020
165.1365 0.1725770
165.6186 9.7717002E-02
166.1008 9.7274996E-02
166.5829 0.3763280
167.0650 0.2640380
167.5471 0.1914830
168.0292 0.1873780
168.5113 0.1487880
168.9935 0.2914430
169.4756 8.3618000E-02
169.9577 3.7032999E-02
170.4398 2.7327999E-02
170.9219 0.4900970
171.4040 0.5887300
171.8862 0.2471010
172.3683 8.7631002E-02
172.8504 0.4283910
173.3325 0.1474300
173.8146 0.3037260
174.2967 1.8173000E-02
174.7789 0.1234890
175.2610 0.2276310
175.7431 0.8341370
176.2252 0.7595520
176.7073 0.6691890
177.1894 1.128754
177.6716 0.5759430
178.1537 1.027313
178.6358 1.078049
179.1179 1.312302
179.6000 1.149506
180.0822 1.109344
180.5643 1.466507
181.0464 1.603485
181.5285 1.394653
182.0106 1.640335
182.4927 1.073669
182.9749 1.219589
183.4570 1.672806
183.9391 1.483231
184.4212 1.735016
184.9033 1.818176
185.3854 1.136002
185.8676 1.783585
186.3497 1.855789
186.8318 1.337143
187.3139 1.938736
187.7960 1.501297
188.2781 1.434631
188.7603 1.646881
189.2424 1.568359
189.7245 1.948959
190.2066 1.888458
190.6887 1.789474
191.1708 1.863586
191.6530 1.450836
192.1351 1.944519
192.6172 1.820877
193.0993 2.006058
193.5814 2.262192
194.0635 1.985596
194.5457 2.275131
195.0278 1.689377
195.5099 1.837769
195.9920 1.908066
196.4741 2.447220
196.9562 1.868011
197.4384 1.997177
197.9205 2.427887
198.4026 2.436600
198.8847 2.621536
199.3668 2.283783
199.8489 2.436600
200.3311 2.453903
200.8132 2.630096
201.2953 2.995468
201.7774 3.275162
202.2595 3.397629
202.7417 3.507797
203.2238 3.562286
203.7059 3.627701
204.1880 3.842667
204.6701 4.291748
205.1522 4.902832
205.6344 5.345749
206.1165 5.451859
206.5986 5.612549
207.0807 5.955017
207.5628 6.407425
208.0449 6.861008
208.5271 7.284103
209.0092 7.631332
209.4913 7.700348
209.9734 7.326340
210.4555 6.937820
210.9376 6.751068
211.4198 6.681686
211.9019 6.463470
212.3840 5.911148
212.8661 5.174866
213.3482 4.673477
213.8303 4.486099
214.3125 4.395248
214.7946 4.321793
215.2767 4.264282
215.7588 4.172241
216.2409 3.962906
216.7230 3.765076
217.2052 3.791153
217.6873 4.124374
218.1694 4.516327
218.6515 4.930420
219.1336 5.352936
219.6157 5.447128
220.0979 5.694260
220.5800 5.737457
221.0621 5.591187
221.5442 4.683441
222.0263 4.757233
222.5084 4.438904
222.9906 4.083801
223.4727 3.325928
223.9548 3.079941
224.4369 2.927719
224.9190 2.739059
225.4011 2.522186
225.8833 2.370483
226.3654 2.401123
226.8475 2.672821
227.3296 2.841537
227.8117 2.778549
228.2939 2.649643
228.7760 2.560776
229.2581 2.526489
229.7402 2.502060
230.2223 2.431015
230.7044 2.337402
231.1866 2.196625
231.6687 1.851501
232.1508 1.572800
232.6329 1.656967
233.1150 2.092499
233.5971 2.580902
234.0793 2.615311
234.5614 1.832794
235.0435 1.451691
235.5256 1.747391
236.0077 2.135391
236.4898 1.811188
236.9720 2.335785
237.4541 2.666595
237.9362 2.791214
238.4183 2.149872
238.9004 2.509918
239.3825 2.464844
239.8647 2.439423
240.3468 2.958130
240.8289 2.440292
241.3110 2.939148
241.7931 3.024033
242.2752 3.288437
242.7574 3.195038
243.2395 3.186981
243.7216 3.571213
244.2037 3.764160
244.6858 3.574997
245.1679 3.863434
245.6501 3.340729
246.1322 3.515274
246.6143 3.998154
247.0964 3.813309
247.5785 4.069412
248.0606 4.157852
248.5428 3.459595
249.0249 4.088913
249.5070 4.152283
249.9891 3.615433
250.4712 4.231949
250.9533 3.797806
251.4355 3.712845
251.9176 3.908951
252.3997 3.811783
252.8818 4.173065
253.3639 4.109116
253.8461 3.988846
254.3282 4.040604
254.8103 3.604004
255.2924 4.072937
255.7745 3.922989
256.2566 4.080475
256.7387 4.307404
257.2209 4.000534
257.7030 4.176041
258.1851 4.320877
258.6672 4.407623
259.1493 4.472946
259.6314 4.521698
260.1136 4.559204
260.5957 4.641449
261.0778 4.852661
261.5599 5.112000
262.0420 5.182220
262.5241 4.840652
263.0063 4.569458
263.4884 4.820999
263.9705 5.528854
264.4526 6.099136
264.9348 6.180252
265.4169 5.993576
265.8990 6.017044
266.3811 6.380798
266.8632 6.687439
267.3453 6.554108
267.8275 6.047623
268.3096 5.673416
268.7917 5.567841
269.2738 5.752014
269.7559 6.253082
270.2380 7.134430
270.7202 7.995224
271.2023 8.560425
271.6844 8.858612
272.1665 9.087250
272.6486 9.309219
273.1307 9.448486
273.6129 9.418854
274.0950 9.222214
274.5771 9.026413
275.0592 8.938721
275.5413 8.945938
276.0234 8.976456
276.5056 9.039841
276.9877 9.097229
277.4698 9.169662
277.9519 9.233215
278.4340 9.170914
278.9161 8.890137
279.3983 8.418900
279.8804 7.836716
280.3625 6.987350
280.8446 6.294418
281.3267 6.073898
281.8088 5.799576
282.2910 5.630219
282.7731 5.301422
283.2552 4.823730
283.7373 3.635925
284.2194 3.453125
284.7015 2.921341
285.1837 2.412125
285.6658 2.480606
286.1479 1.593872
286.6300 1.730682
287.1121 1.512619
287.5942 1.512939
288.0764 0.7924650
288.5585 1.057327
289.0406 1.132767
289.5227 1.029266
290.0048 0.1858670
290.4869 0.3173830
290.9691 6.9916002E-02
291.4512 0.1851040
291.9333 0.1074070
292.4154 0.5855710
292.8975 0.2853090
293.3796 0.3701780
293.8618 0.2669070
294.3439 0.5451510
294.8260 0.6950070
295.3081 0.4470210
295.7902 0.4067840
296.2723 0.6977390
296.7545 0.5345150
297.2366 1.160110
297.7187 1.078690
298.2008 0.6875460
298.6829 0.9190060
299.1650 0.7089690
299.6472 0.6560060
300.1293 1.345398
300.6114 0.7218630
301.0935 0.6546940
301.5756 1.158951
302.0577 0.5559690
302.5399 0.9642180
303.0220 1.000732
303.5041 0.7552640
303.9862 0.7872310
304.4683 0.3609010
304.9504 0.3598790
305.4326 0.3892520
305.9147 1.6785000E-02
306.3968 0.1632230
306.8789 0.1555790
307.3610 0.1596530
307.8431 0.6311490
308.3253 0.4335170
308.8074 0.1959990
309.2895 4.7545999E-02
309.7716 0.3255310
310.2537 0.4772030
310.7358 0.4121400
311.2180 0.5353240
311.7001 0.7022860
312.1822 6.7642003E-02
312.6643 0.9815830
313.1465 0.4782260
313.6286 0.4939730
314.1107 0.9028170
314.5928 0.9218140
315.0749 1.580582
315.5570 1.642059
316.0392 1.659180
316.5213 1.922623
317.0034 1.525192
317.4855 2.381805
317.9676 2.398148
318.4497 2.846832
318.9319 3.401047
319.4140 3.231827
319.8961 3.848572
320.3782 3.271347
320.8603 3.711182
321.3424 4.052414
321.8246 5.047180
322.3067 5.388947
322.7888 5.839767
323.2709 5.945068
323.7530 6.828781
324.2351 7.730743
324.7173 8.347717
325.1994 9.141510
325.6815 10.27937
326.1636 11.65526
326.6457 13.12006
327.1278 14.58286
327.6100 16.11949
328.0921 17.98021
328.5742 20.39847
329.0563 22.63846
329.5384 24.60320
330.0205 26.30403
330.5027 27.71071
330.9848 28.82195
331.4669 29.72662
331.9490 30.59135
332.4311 31.48615
332.9132 32.03336
333.3954 31.76634
333.8775 31.43251
334.3596 31.40834
334.8417 31.72514
335.3238 32.22218
335.8059 32.71304
336.2881 33.19406
336.7702 33.97736
337.2523 35.24425
337.7344 36.64603
338.2165 38.14072
338.6986 39.64168
339.1808 40.98677
339.6629 42.05222
340.1450 42.88979
340.6271 43.64888
341.1092 44.13857
341.5913 44.93240
342.0735 46.40843
342.5556 48.21556
343.0377 49.90253
343.5198 51.25012
344.0019 52.57364
344.4840 54.43930
344.9662 57.00363
345.4483 59.47284
345.9304 61.75548
346.4125 63.76166
346.8946 65.67290
347.3767 67.51674
347.8589 68.31155
348.3410 67.04791
348.8231 63.73328
349.3052 59.52139
349.7873 54.39227
350.2694 48.47643
350.7516 41.60637
351.2337 34.03595
351.7158 27.01495
352.1979 21.11206
352.6800 16.26924
353.1621 12.39091
353.6443 9.585602
354.1264 7.469864
354.6085 6.063507
355.0906 5.104034
355.5727 4.376633
356.0548 3.895874
356.5370 3.496506
357.0191 2.401794
357.5012 2.763779
357.9833 2.885040
358.4654 2.853470
358.9475 2.064438
359.4297 2.232422
359.9118 2.042572
360.3939 1.814270
360.8760 2.134888
361.3581 1.458893
361.8402 1.786545
362.3224 1.738983
362.8045 1.876465
363.2866 1.616577
363.7687 1.501877
364.2509 1.787689
364.7330 1.844528
365.2151 1.565887
365.6972 1.709290
366.1793 1.990219
366.6614 2.656982
367.1436 3.182877
367.6257 3.583694
368.1078 3.887741
368.5899 3.841309
369.0720 3.919281
369.5541 4.409439
370.0363 5.307129
370.5184 6.681549
371.0005 8.852020
371.4826 11.25409
371.9647 12.55380
372.4468 12.29336
372.9290 12.21620
373.4111 13.00960
373.8932 14.43817
374.3753 16.11404
374.8574 17.95311
375.3395 19.90326
375.8217 21.89532
376.3038 23.92537
376.7859 26.00697
377.2680 27.97247
377.7501 30.10709
378.2322 32.75664
378.7144 35.88788
379.1965 39.09892
379.6786 42.14793
380.1607 45.01717
380.6428 47.67528
381.1249 49.87553
381.6071 52.14702
382.0892 54.66168
382.5713 57.39229
383.0534 60.31462
383.5355 63.45053
384.0176 66.65558
384.4998 69.64304
384.9819 72.26260
385.4640 74.90639
385.9461 77.66620
386.4282 80.39600
386.9103 82.91280
387.3925 85.20644
387.8746 87.47159
388.3567 89.88831
388.8388 92.47806
389.3209 95.06738
389.8030 97.56958
390.2852 100.1755
390.7673 103.0486
391.2494 106.0776
391.7315 109.0285
392.2136 111.7515
392.6957 114.3297
393.1779 117.0625
393.6600 120.4194
394.1421 123.2304
394.6242 125.0978
395.1063 126.5955
395.5884 128.3507
396.0706 130.4706
396.5527 132.3733
397.0348 133.2759
397.5169 133.0065
397.9990 132.3944
398.4811 131.6902
398.9633 130.3940
399.4454 128.2718
399.9275 125.3708
400.4096 121.7979
400.8917 117.5564
401.3738 112.7548
401.8560 107.8559
402.3381 102.9097
402.8202 97.77231
403.3023 92.33026
403.7844 86.71362
404.2665 80.93988
404.7487 74.98871
405.2308 69.19324
405.7129 63.89627
406.1950 59.05154
406.6771 55.00696
407.1592 52.52319
407.6414 50.18704
408.1235 46.85698
408.6056 42.69043
409.0877 38.65410
409.5698 35.32629
410.0519 32.53194
410.5341 29.78665
411.0162 27.00488
411.4983 24.60506
411.9804 23.23071
412.4626 22.36009
412.9447 21.11320
413.4268 19.09770
413.9089 17.10352
414.3910 15.80667
414.8731 15.11424
415.3553 14.56970
415.8374 14.05983
416.3195 13.56287
416.8016 13.04305
417.2837 12.49779
417.7658 12.00325
418.2480 11.71786
418.7301 11.40820
419.2122 10.80093
419.6943 9.894135
420.1764 8.797913
420.6585 9.319962
421.1407 9.645554
421.6228 9.786224
422.1049 9.138474
422.5870 9.508881
423.0691 9.458588
423.5512 9.390198
424.0334 9.859848
424.5155 9.326050
424.9976 9.799484
425.4797 9.856857
425.9618 10.09801
426.4439 9.943802
426.9261 9.911285
427.4082 10.29678
427.8903 10.45461
428.3724 10.25482
428.8545 10.51009
429.3366 9.953400
429.8188 10.10971
430.3009 10.59406
430.7830 10.41603
431.2651 10.68025
431.7472 10.78581
432.2293 10.11751
432.7115 10.78273
433.1936 10.87616
433.6757 11.08435
434.1578 11.83571
434.6399 12.74678
435.1220 13.44666
435.6042 13.58528
436.0863 13.73016
436.5684 14.21770
437.0505 14.94153
437.5326 15.66786
438.0147 16.22981
438.4969 16.71048
438.9790 17.21104
439.4611 17.75594
439.9432 18.34657
440.4253 18.98819
440.9074 19.68958
441.3896 20.35338
441.8717 21.00513
442.3538 21.60213
442.8359 22.17082
443.3180 22.68834
443.8001 22.98688
444.2823 23.01022
444.7644 22.89757
445.2465 22.84776
445.7286 22.83244
446.2107 22.46770
446.6928 21.40666
447.1750 20.12762
447.6571 19.13487
448.1392 18.40408
448.6213 17.51631
449.1034 16.06703
449.5855 14.38515
450.0677 13.38239
450.5498 13.26498
451.0319 13.15829
451.5140 12.67618
451.9961 12.12651
452.4782 11.90645
452.9604 12.07178
453.4425 12.51915
453.9246 13.17177
454.4067 14.05003
454.8888 14.66991
455.3709 15.02452
455.8531 15.20038
456.3352 15.09302
456.8173 14.83751
457.2994 14.60271
457.7815 14.45808
458.2636 14.43822
458.7458 14.64931
459.2279 15.59676
459.7100 15.69650
460.1921 14.36983
460.6742 12.75771
461.1564 11.45854
461.6385 10.48860
462.1206 9.597504
462.6027 8.595657
463.0848 7.510971
463.5670 6.448761
464.0491 5.343445
464.5312 4.411575
465.0133 3.866653
465.4954 3.448746
465.9775 2.885880
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