#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:02:49 +0300 (Thu, 26 Apr 2018) $
#$Revision: 628 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000164.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_1000164
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        R130229
_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
_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            R130229.rod
_rod_data_source.block           3500000
_rod_database.code               1000164
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
94.45264 0.0000000E+00
94.93475 28.48340
95.41687 45.50879
95.89898 56.84375
96.38110 65.85645
96.86321 82.45410
97.34533 91.53320
97.82745 69.62207
98.30956 53.43652
98.79168 48.81836
99.27380 50.59863
99.75591 47.24121
100.2380 44.38086
100.7201 39.76953
101.2023 30.72656
101.6844 19.07715
102.1665 9.684570
102.6486 1.271484
103.1307 4.192383
103.6128 5.798828
104.0950 3.822266
104.5771 0.8896480
105.0592 5.336914
105.5413 9.355469
106.0234 13.54980
106.5055 17.33887
106.9877 20.86523
107.4698 25.79492
107.9519 31.86523
108.4340 38.08008
108.9161 44.69824
109.3982 50.90820
109.8804 55.00586
110.3625 54.36133
110.8446 46.91797
111.3267 44.71289
111.8088 50.60547
112.2909 58.64551
112.7731 66.78613
113.2552 74.33789
113.7373 81.27441
114.2194 87.40723
114.7015 90.77051
115.1836 97.11621
115.6658 110.4912
116.1479 124.8672
116.6300 134.0186
117.1121 135.6211
117.5942 132.3818
118.0763 130.0205
118.5584 127.4434
119.0406 127.9961
119.5227 135.0986
120.0048 148.5195
120.4869 157.8271
120.9690 159.8350
121.4511 159.4180
121.9333 164.4727
122.4154 175.7959
122.8975 190.6514
123.3796 207.8252
123.8617 226.1133
124.3438 242.2285
124.8260 251.7725
125.3081 259.4121
125.7902 269.4316
126.2723 283.8076
126.7544 301.1846
127.2365 318.3262
127.7187 335.7910
128.2008 352.1318
128.6829 366.0332
129.1650 379.1221
129.6471 394.0283
130.1292 413.2275
130.6114 436.0449
131.0935 451.9619
131.5756 459.9766
132.0577 461.6992
132.5398 457.0791
133.0219 446.2627
133.5041 429.1758
133.9862 405.1367
134.4683 372.6152
134.9504 342.3496
135.4325 316.8506
135.9146 290.9746
136.3968 260.0879
136.8789 224.4229
137.3610 189.5596
137.8431 162.5068
138.3252 144.7744
138.8073 128.2119
139.2895 112.0996
139.7716 96.96777
140.2537 83.54785
140.7358 72.17773
141.2179 62.08691
141.7000 52.80762
142.1821 44.26953
142.6643 35.60938
143.1464 25.99219
143.6285 15.85742
144.1106 6.353516
144.5927 3.899414
145.0748 11.08105
145.5570 12.18945
146.0391 7.207031
146.5212 0.4228520
147.0033 9.974609
147.4854 22.23242
147.9675 28.32324
148.4497 19.76953
148.9318 9.144531
149.4139 2.655273
149.8960 0.3945310
150.3781 0.3710940
150.8602 0.8613280
151.3424 4.456055
151.8245 6.761719
152.3066 5.768555
152.7887 3.555664
153.2708 0.4199220
153.7529 6.311523
154.2351 13.30078
154.7172 19.32812
155.1993 22.78516
155.6814 27.36719
156.1635 35.84375
156.6456 44.68164
157.1278 49.08984
157.6099 46.53613
158.0920 38.99902
158.5741 34.87598
159.0562 36.43457
159.5383 38.09180
160.0205 38.27441
160.5026 37.43555
160.9847 36.80762
161.4668 37.61035
161.9489 39.54297
162.4310 40.59863
162.9131 40.57129
163.3953 39.62402
163.8774 37.11719
164.3595 33.24414
164.8416 30.36816
165.3237 30.53613
165.8058 32.68848
166.2880 34.16309
166.7701 34.25586
167.2522 33.89648
167.7343 34.28516
168.2164 35.63184
168.6985 36.61914
169.1807 36.46680
169.6628 35.57031
170.1449 34.14941
170.6270 32.03516
171.1091 29.61523
171.5912 27.96484
172.0734 27.77148
172.5555 27.06152
173.0376 24.68164
173.5197 21.46094
174.0018 18.16992
174.4839 14.64746
174.9661 11.57617
175.4482 13.40332
175.9303 27.56055
176.4124 38.47559
176.8945 40.31738
177.3766 36.16309
177.8588 31.59277
178.3409 30.56445
178.8230 33.13379
179.3051 35.94141
179.7872 40.65820
180.2693 43.97070
180.7515 43.69629
181.2336 40.90527
181.7157 38.49902
182.1978 39.14160
182.6799 43.34375
183.1620 44.93457
183.6441 40.98535
184.1263 37.50586
184.6084 38.53711
185.0905 43.45898
185.5726 47.96289
186.0547 47.83398
186.5368 42.26758
187.0190 38.34277
187.5011 36.38965
187.9832 35.83789
188.4653 37.97949
188.9474 42.67383
189.4296 45.17090
189.9117 39.17969
190.3938 25.05176
190.8759 14.70020
191.3580 10.91504
191.8401 10.91797
192.3223 12.33887
192.8044 15.28711
193.2865 17.73145
193.7686 16.83398
194.2507 13.58301
194.7328 10.77637
195.2150 9.584961
195.6971 9.298828
196.1792 8.491211
196.6613 6.801758
197.1434 5.038086
197.6255 3.863281
198.1077 3.063477
198.5898 2.231445
199.0719 0.6826170
199.5540 1.248047
200.0361 1.677734
200.5182 0.6728520
201.0004 2.827148
201.4825 3.662109
201.9646 3.188477
202.4467 1.224609
202.9288 3.574219
203.4109 10.51562
203.8930 13.62695
204.3752 12.52148
204.8573 7.384766
205.3394 5.276367
205.8215 22.27539
206.3036 36.55176
206.7857 41.75391
207.2679 37.38184
207.7500 33.57227
208.2321 30.95703
208.7142 28.30859
209.1963 23.92676
209.6784 18.86621
210.1606 16.20312
210.6427 19.31152
211.1248 29.47266
211.6069 33.79492
212.0890 26.23340
212.5711 18.99219
213.0533 16.97461
213.5354 19.78516
214.0175 24.53125
214.4996 28.99414
214.9817 33.62402
215.4638 33.75586
215.9460 24.84375
216.4281 16.47754
216.9102 13.92090
217.3923 16.78809
217.8744 21.07129
218.3565 23.10840
218.8387 22.53320
219.3208 23.36230
219.8029 26.19922
220.2850 29.72949
220.7671 33.77246
221.2492 38.04980
221.7314 41.21777
222.2135 41.58398
222.6956 38.97461
223.1777 38.95703
223.6598 44.33203
224.1419 50.20898
224.6240 52.60645
225.1062 51.43555
225.5883 49.73535
226.0704 50.11523
226.5525 52.27734
227.0346 53.35938
227.5167 51.08203
227.9989 49.01660
228.4810 51.53125
228.9631 58.97852
229.4452 66.05371
229.9273 68.26855
230.4094 67.09473
230.8916 66.68945
231.3737 67.32129
231.8558 69.21387
232.3379 73.41113
232.8200 80.41113
233.3021 86.32910
233.7843 87.84570
234.2664 86.71387
234.7485 85.42090
235.2306 84.44824
235.7127 83.66602
236.1948 82.38379
236.6770 80.07129
237.1591 79.50000
237.6412 85.77930
238.1233 93.45801
238.6054 95.80762
239.0875 89.23730
239.5697 78.66699
240.0518 71.71973
240.5339 68.95020
241.0160 67.97266
241.4981 69.37500
241.9802 71.38672
242.4624 72.33984
242.9445 71.63281
243.4266 69.74805
243.9087 67.21191
244.3908 63.40527
244.8729 60.64648
245.3550 59.94141
245.8372 60.27051
246.3193 61.34668
246.8014 62.99219
247.2835 63.81250
247.7656 60.90625
248.2477 52.26172
248.7299 45.36230
249.2120 39.95020
249.6941 36.91406
250.1762 38.43945
250.6583 44.93164
251.1404 52.72656
251.6226 55.38867
252.1047 50.62109
252.5868 46.00098
253.0689 42.22070
253.5510 39.28125
254.0331 37.19434
254.5153 35.83789
254.9974 34.72852
255.4795 32.68555
255.9616 27.75781
256.4437 26.48730
256.9258 32.20898
257.4080 38.75781
257.8901 41.46582
258.3722 39.70508
258.8543 36.84668
259.3364 37.67871
259.8185 44.51660
260.3007 49.28906
260.7828 49.30957
261.2649 48.69043
261.7470 50.70898
262.2291 55.72168
262.7112 62.07520
263.1934 67.72168
263.6755 72.02637
264.1576 76.66211
264.6397 81.38672
265.1218 86.49023
265.6039 91.78418
266.0861 97.44824
266.5682 104.1807
267.0503 112.9248
267.5324 124.2295
268.0145 133.7559
268.4966 141.4131
268.9788 147.7900
269.4609 152.1357
269.9430 155.1709
270.4251 158.8555
270.9072 164.8506
271.3893 173.1826
271.8715 182.2256
272.3536 192.5576
272.8357 202.8184
273.3178 213.0273
273.7999 222.7656
274.2820 230.9648
274.7642 236.7910
275.2463 240.3984
275.7284 243.8145
276.2105 248.4092
276.6926 251.3838
277.1747 251.4863
277.6568 249.2090
278.1389 245.4482
278.6211 240.4395
279.1032 234.6572
279.5853 230.0771
280.0674 225.3525
280.5495 223.0586
281.0316 227.7344
281.5138 234.8486
281.9959 236.2334
282.4780 228.2461
282.9601 213.1787
283.4422 196.0898
283.9243 173.0098
284.4065 155.3691
284.8886 148.9580
285.3707 148.5254
285.8528 146.9023
286.3349 141.8174
286.8170 134.1738
287.2992 124.7578
287.7813 112.8115
288.2634 101.9951
288.7455 92.82715
289.2276 85.16992
289.7097 79.56152
290.1919 76.17188
290.6740 73.15332
291.1561 68.03320
291.6382 60.54297
292.1203 53.04102
292.6024 43.28027
293.0846 34.96777
293.5667 33.53516
294.0488 39.47168
294.5309 45.28906
295.0130 43.38574
295.4951 33.57129
295.9773 26.63574
296.4594 24.70312
296.9415 24.46777
297.4236 23.04102
297.9057 20.50488
298.3878 19.41895
298.8700 22.44238
299.3521 28.55664
299.8342 31.37891
300.3163 29.80273
300.7984 25.98535
301.2805 19.84863
301.7627 12.05176
302.2448 5.364258
302.7269 1.157227
303.2090 0.8242190
303.6911 1.428711
304.1732 1.474609
304.6554 2.343750
305.1375 3.137695
305.6196 12.58203
306.1017 19.98730
306.5838 22.94238
307.0659 22.83301
307.5481 21.97559
308.0302 20.22070
308.5123 18.32812
308.9944 15.57617
309.4765 13.01270
309.9586 12.96680
310.4408 16.40918
310.9229 20.85156
311.4050 23.16602
311.8871 23.50977
312.3692 22.49902
312.8513 19.08789
313.3335 14.95801
313.8156 12.44531
314.2977 11.97852
314.7798 11.21777
315.2619 6.853516
315.7440 0.5498050
316.2262 3.391602
316.7083 4.474609
317.1904 13.25391
317.6725 13.75781
318.1546 6.256836
318.6367 1.541992
319.1188 4.421875
319.6010 3.388672
320.0831 4.108398
320.5652 8.749023
321.0473 12.99316
321.5294 13.54785
322.0115 11.51465
322.4937 10.92383
322.9758 14.01562
323.4579 19.30859
323.9400 22.91309
324.4221 24.29004
324.9042 25.62012
325.3864 26.62012
325.8685 28.29395
326.3506 32.81934
326.8327 41.24609
327.3148 51.59668
327.7969 60.74805
328.2791 68.36328
328.7612 77.03027
329.2433 88.43945
329.7254 100.5811
330.2075 110.7354
330.6896 118.4531
331.1718 125.8926
331.6539 135.1650
332.1360 146.4492
332.6181 158.3672
333.1002 172.3887
333.5823 185.8115
334.0645 194.8486
334.5466 200.2979
335.0287 208.7402
335.5108 225.3457
335.9929 248.9648
336.4750 269.6562
336.9572 282.9316
337.4393 298.4092
337.9214 321.9414
338.4035 350.8662
338.8856 378.0430
339.3677 399.5449
339.8499 418.5908
340.3320 444.2588
340.8141 478.4814
341.2962 514.3564
341.7783 547.9258
342.2604 583.3984
342.7426 626.8857
343.2247 679.9551
343.7068 738.4307
344.1889 796.5186
344.6710 853.5518
345.1531 912.7969
345.6353 982.1367
346.1174 1047.871
346.5995 1104.159
347.0816 1148.073
347.5637 1173.778
348.0458 1176.608
348.5280 1155.943
349.0101 1105.213
349.4922 1012.799
349.9743 907.9561
350.4564 795.8984
350.9385 681.8057
351.4207 572.7080
351.9028 472.6543
352.3849 382.4561
352.8670 305.2324
353.3491 242.7617
353.8312 191.1377
354.3134 151.1270
354.7955 121.4023
355.2776 102.0410
355.7597 92.86621
356.2418 89.76758
356.7239 85.74121
357.2061 80.12207
357.6882 74.92090
358.1703 67.77734
358.6524 62.67090
359.1345 63.94434
359.6166 70.85645
360.0987 77.95312
360.5808 79.76172
361.0630 75.66602
361.5451 72.48242
362.0272 71.08789
362.5093 69.82617
362.9914 67.77734
363.4735 64.89551
363.9557 61.80859
364.4378 59.06445
364.9199 56.84766
365.4020 55.22266
365.8841 54.99707
366.3662 54.46680
366.8484 50.64746
367.3305 47.95703
367.8126 52.42969
368.2947 65.28223
368.7768 79.71484
369.2589 84.72168
369.7411 76.36230
370.2232 69.64160
370.7053 62.74316
371.1874 59.62402
371.6695 64.38477
372.1516 75.46387
372.6338 86.55371
373.1159 90.68652
373.5980 88.44824
374.0801 95.42676
374.5622 118.1963
375.0443 141.6914
375.5265 161.8789
376.0086 180.2744
376.4907 198.3389
376.9728 216.3008
377.4549 234.5830
377.9370 253.8926
378.4192 273.6699
378.9013 296.1768
379.3834 325.1191
379.8655 355.2129
380.3476 380.8623
380.8297 401.1221
381.3119 423.3281
381.7940 455.7539
382.2761 498.2471
382.7582 541.2393
383.2403 584.0303
383.7224 626.5693
384.2046 669.1367
384.6867 711.4727
385.1688 753.6582
385.6509 793.4814
386.1330 833.1826
386.6151 878.7617
387.0973 931.1602
387.5794 985.4072
388.0615 1037.202
388.5436 1089.716
389.0257 1148.200
389.5078 1214.960
389.9900 1285.301
390.4721 1354.720
390.9542 1423.847
391.4363 1496.044
391.9184 1573.198
392.4005 1653.042
392.8827 1733.085
393.3648 1813.547
393.8469 1892.356
394.3290 1970.015
394.8111 2045.052
395.2932 2114.857
395.7754 2179.803
396.2575 2238.546
396.7396 2292.210
397.2217 2339.130
397.7038 2370.820
398.1859 2386.460
398.6681 2387.498
399.1501 2373.806
399.6323 2346.101
400.1144 2306.306
400.5965 2254.856
401.0786 2192.688
401.5607 2122.189
402.0428 2042.938
402.5250 1957.597
403.0071 1864.264
403.4892 1765.940
403.9713 1665.495
404.4534 1564.210
404.9355 1462.850
405.4177 1361.650
405.8998 1259.780
406.3819 1166.728
406.8640 1084.075
407.3461 1007.861
407.8282 936.6562
408.3104 870.0498
408.7925 807.7705
409.2746 749.0508
409.7567 693.9609
410.2388 641.4492
410.7209 591.3555
411.2031 544.7012
411.6852 500.5957
412.1673 460.3486
412.6494 425.7891
413.1315 397.0996
413.6136 371.8984
414.0958 346.7988
414.5779 320.7891
415.0600 299.3789
415.5421 287.7568
416.0242 275.8340
416.5063 257.7090
416.9885 236.0811
417.4706 218.0850
417.9527 208.3730
418.4348 205.1309
418.9169 202.1973
419.3990 198.9365
419.8812 198.2266
420.3633 204.1221
420.8454 211.4551
421.3275 214.7871
421.8096 212.3262
422.2917 207.6133
422.7739 203.7471
423.2560 200.9590
423.7381 201.2793
424.2202 207.2988
424.7023 213.3291
425.1844 213.8105
425.6666 210.0635
426.1487 207.9346
426.6308 210.3408
427.1129 215.6172
427.5950 221.8418
428.0771 229.0977
428.5593 235.9727
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