#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:36 +0300 (Thu, 24 May 2018) $
#$Revision: 804 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000297.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_1000297
loop_
_publ_author_name
'Downs, J. W.'
'Ross, F. K.'
_publ_section_title
;
 Neutron-diffraction study of bertrandite Note: O2y has been corrected
;
_journal_name_full               'American Mineralogist'
_journal_page_first              979
_journal_page_last               983
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        R110025
_chemical_formula_sum            'Be4 H2 O9 Si2'
_chemical_name_mineral           Bertrandite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.7135
_cell_length_b                   15.268
_cell_length_c                   4.5683
_cell_volume                     607.756
_exptl_crystal_density_diffrn    2.604
_cod_original_formula_sum        'Si2 Be4 H2 O9'
_cod_database_code               9001104
_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            R110025.rod
_rod_data_source.block           3500000
_rod_database.code               1000297
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 9001104 COD http://www.crystallography.net/cod/9001104.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
169.1381 0.0000000E+00
169.6203 2.103699
170.1024 1.491150
170.5845 0.6775510
171.0666 0.4783330
171.5487 0.7056270
172.0309 2.630798
172.5130 4.915771
172.9951 7.160889
173.4772 9.504578
173.9593 12.24219
174.4414 14.97705
174.9236 18.29645
175.4057 23.19318
175.8878 29.73090
176.3699 35.91656
176.8520 39.48248
177.3341 41.49493
177.8163 44.33173
178.2984 48.93774
178.7805 54.86523
179.2626 61.41980
179.7447 68.36414
180.2268 76.32373
180.7090 86.14368
181.1911 97.43384
181.6732 108.9099
182.1553 120.1732
182.6374 131.1662
183.1195 141.9742
183.6017 153.1000
184.0838 162.2051
184.5659 168.4410
185.0480 171.2557
185.5301 167.9521
186.0123 153.4888
186.4944 131.5202
186.9765 113.4305
187.4586 99.32410
187.9407 89.36792
188.4228 84.74280
188.9050 85.08960
189.3871 86.99377
189.8692 89.35132
190.3513 91.96375
190.8334 93.77954
191.3155 94.52979
191.7977 95.01160
192.2798 96.87683
192.7619 100.1320
193.2440 102.7125
193.7261 103.0042
194.2082 101.2871
194.6904 100.7601
195.1725 101.6104
195.6546 103.6606
196.1367 107.0638
196.6188 112.0145
197.1009 116.2253
197.5831 117.6685
198.0652 116.3750
198.5473 116.9020
199.0294 119.3186
199.5115 123.8678
199.9937 131.3744
200.4758 141.8885
200.9579 154.0514
201.4400 166.9526
201.9221 180.5179
202.4042 195.6588
202.8864 212.5377
203.3685 230.8690
203.8506 250.3867
204.3327 271.1692
204.8148 291.9657
205.2969 315.4952
205.7791 344.3920
206.2612 356.9436
206.7433 350.7987
207.2254 328.6331
207.7075 293.6868
208.1896 240.7115
208.6718 189.9829
209.1539 152.2277
209.6360 129.4869
210.1181 110.8788
210.6002 96.02100
211.0823 84.82434
211.5645 77.37964
212.0466 74.36951
212.5287 73.51074
213.0108 73.95190
213.4929 76.19446
213.9750 77.83130
214.4572 78.40356
214.9393 78.40320
215.4214 79.45642
215.9035 82.11743
216.3856 84.71289
216.8678 86.11511
217.3499 85.78613
217.8320 86.08582
218.3141 87.29346
218.7962 89.08740
219.2783 90.46716
219.7605 91.19690
220.2426 91.82361
220.7247 92.42896
221.2068 92.52283
221.6889 93.95850
222.1710 97.09668
222.6532 101.5497
223.1353 105.9369
223.6174 109.9388
224.0995 114.8936
224.5816 121.6519
225.0637 131.0128
225.5459 140.8899
226.0280 150.8892
226.5101 161.6426
226.9922 174.6628
227.4743 192.9833
227.9564 210.8219
228.4386 225.5128
228.9207 235.5793
229.4028 246.1698
229.8849 261.4380
230.3670 276.3303
230.8492 276.4478
231.3313 257.1034
231.8134 230.1307
232.2955 199.0426
232.7776 159.4116
233.2597 127.1952
233.7419 103.7722
234.2240 87.39282
234.7061 74.28552
235.1882 65.04358
235.6703 58.20532
236.1524 53.42358
236.6346 52.00549
237.1167 49.62695
237.5988 45.57141
238.0809 40.81140
238.5630 37.64783
239.0451 36.81018
239.5273 36.46729
240.0094 35.78491
240.4915 34.21362
240.9736 33.78027
241.4557 35.26270
241.9378 37.50061
242.4200 38.08569
242.9021 36.51978
243.3842 34.04504
243.8663 30.78088
244.3484 25.80444
244.8306 22.95642
245.3127 23.51282
245.7948 25.53833
246.2769 25.20203
246.7590 20.64978
247.2411 16.91724
247.7233 16.20264
248.2054 19.99451
248.6875 21.49304
249.1696 19.50818
249.6517 15.88513
250.1338 13.67749
250.6160 13.44812
251.0981 13.72241
251.5802 14.23401
252.0623 15.21838
252.5444 15.22803
253.0265 13.87024
253.5087 11.90637
253.9908 10.39197
254.4729 9.428955
254.9550 8.657837
255.4371 7.926025
255.9192 7.229248
256.4014 6.980347
256.8835 7.891968
257.3656 8.755493
257.8477 7.510986
258.3298 2.172241
258.8120 1.036255
259.2941 0.1920170
259.7762 6.284424
260.2583 10.07861
260.7404 11.06360
261.2225 10.41370
261.7047 9.163452
262.1868 6.793335
262.6689 5.114136
263.1510 4.547852
263.6331 5.189331
264.1152 6.448608
264.5974 8.521240
265.0795 10.54138
265.5616 11.77356
266.0437 12.38416
266.5258 11.68652
267.0079 8.835693
267.4901 4.321533
267.9722 2.778076
268.4543 5.405762
268.9364 8.672119
269.4185 9.576416
269.9006 7.573975
270.3828 5.606079
270.8649 3.931030
271.3470 2.678345
271.8291 2.357544
272.3112 3.268555
272.7933 4.121948
273.2755 3.729370
273.7576 1.825073
274.2397 0.3166500
274.7218 0.6733400
275.2039 1.040405
275.6860 7.6660000E-02
276.1682 2.797485
276.6503 4.641602
277.1324 2.613403
277.6145 3.693359
278.0966 6.951050
278.5787 5.729736
279.0609 2.103760
279.5430 0.7785640
280.0251 2.039185
280.5072 3.336914
280.9893 2.993652
281.4715 0.9024660
281.9536 0.2261960
282.4357 1.455200
282.9178 3.255859
283.3999 3.244507
283.8820 1.396606
284.3642 0.3314210
284.8463 0.7730710
285.3284 7.3974997E-02
285.8105 5.2855998E-02
286.2926 0.8575440
286.7747 1.810669
287.2569 1.568237
287.7390 0.1948240
288.2211 0.1809080
288.7032 2.348755
289.1853 6.739258
289.6674 7.966187
290.1496 5.702637
290.6317 2.597534
291.1138 1.713501
291.5959 2.771729
292.0780 3.743042
292.5602 4.013428
293.0423 3.766968
293.5244 3.039551
294.0065 1.789917
294.4886 1.349487
294.9707 3.955322
295.4529 8.635620
295.9350 11.60938
296.4171 10.95142
296.8992 9.002441
297.3813 10.43103
297.8634 14.93652
298.3456 19.25964
298.8277 21.06726
299.3098 20.82715
299.7919 19.32581
300.2740 16.32043
300.7561 12.84680
301.2383 10.21338
301.7204 8.308228
302.2025 6.767334
302.6846 5.421753
303.1667 4.268311
303.6488 3.364014
304.1310 2.826904
304.6131 2.210815
305.0952 0.6929930
305.5773 1.318970
306.0594 2.718384
306.5415 2.483276
307.0237 1.571289
307.5058 0.9801030
307.9879 0.8405760
308.4700 0.8259280
308.9521 0.6506350
309.4343 0.4029540
309.9164 0.3186040
310.3985 0.6975100
310.8806 1.107666
311.3627 1.244629
311.8448 1.102905
312.3270 0.7598880
312.8091 0.4139400
313.2912 1.587280
313.7733 1.779907
314.2554 0.8111570
314.7375 3.209839
315.2197 3.718872
315.7018 2.500366
316.1839 0.9938960
316.6660 0.4802250
317.1481 1.817749
317.6302 2.884399
318.1124 3.536255
318.5945 4.043457
319.0766 4.953491
319.5587 5.912231
320.0408 5.721191
320.5229 2.412720
321.0051 1.037354
321.4872 2.915405
321.9693 2.203003
322.4514 1.310059
322.9335 0.7572020
323.4156 0.3413090
323.8978 0.3328860
324.3799 1.733521
324.8620 3.063721
325.3441 3.994507
325.8262 4.316528
326.3083 4.802734
326.7905 6.258301
327.2726 7.677124
327.7547 7.800415
328.2368 4.316772
328.7189 1.902832
329.2010 1.874390
329.6832 4.511719
330.1653 6.396362
330.6474 7.638306
331.1295 7.957397
331.6116 7.174072
332.0938 4.141724
332.5759 1.913086
333.0580 0.8851320
333.5401 0.9990230
334.0222 1.912354
334.5043 4.435791
334.9865 6.644165
335.4686 7.274414
335.9507 5.821411
336.4328 4.030762
336.9149 1.465454
337.3970 1.124146
337.8792 1.104614
338.3613 2.647583
338.8434 5.736450
339.3255 5.838013
339.8076 2.373657
340.2898 0.2651370
340.7719 0.2996830
341.2540 0.1469730
341.7361 1.031860
342.2182 2.375000
342.7003 3.454468
343.1825 3.893066
343.6646 3.898438
344.1467 4.520386
344.6288 5.579224
345.1109 6.564087
345.5930 7.597290
346.0752 8.686401
346.5573 10.07056
347.0394 12.24658
347.5215 14.33899
348.0036 13.72705
348.4857 10.49292
348.9679 8.018555
349.4500 9.609863
349.9321 13.98865
350.4142 17.40894
350.8963 19.18628
351.3784 20.20593
351.8606 21.27136
352.3427 22.44312
352.8248 23.93457
353.3069 26.37769
353.7890 28.85950
354.2711 30.14795
354.7533 30.08887
355.2354 29.61841
355.7175 29.52344
356.1996 29.56482
356.6817 29.32385
357.1638 27.71228
357.6460 26.40869
358.1281 27.42773
358.6102 30.52026
359.0923 32.54346
359.5744 31.08911
360.0565 27.94434
360.5387 24.82996
361.0208 22.34558
361.5029 19.81836
361.9850 16.33789
362.4671 12.46704
362.9492 9.997192
363.4314 10.44678
363.9135 11.70129
364.3956 12.89111
364.8777 14.43115
365.3598 14.69031
365.8419 11.95435
366.3241 8.022827
366.8062 5.635864
367.2883 6.564331
367.7704 7.677124
368.2526 7.949219
368.7347 7.071045
369.2168 7.032715
369.6989 8.963745
370.1810 11.08020
370.6631 11.90173
371.1453 10.06079
371.6274 8.898193
372.1095 9.048584
372.5916 10.19702
373.0737 10.48303
373.5558 9.603271
374.0380 8.545410
374.5201 7.721069
375.0022 6.934692
375.4843 6.977051
375.9664 8.223145
376.4485 10.00525
376.9307 10.97559
377.4128 10.95398
377.8949 10.66138
378.3770 10.25562
378.8591 9.622925
379.3412 9.345459
379.8234 9.681030
380.3055 10.04016
380.7876 9.497681
381.2697 8.120483
381.7518 7.271118
382.2339 7.562500
382.7161 8.427979
383.1982 8.501099
383.6803 7.798950
384.1624 7.069214
384.6445 6.744263
385.1266 6.821167
385.6088 7.585327
386.0909 9.452148
386.5730 10.79602
387.0551 8.552856
387.5372 4.150024
388.0193 1.450684
388.5015 4.253418
388.9836 8.881958
389.4657 11.35535
389.9478 11.40491
390.4299 10.81970
390.9120 10.81946
391.3942 10.97498
391.8763 10.72559
392.3584 9.650146
392.8405 8.333618
393.3226 6.925049
393.8047 5.521240
394.2869 4.433350
394.7690 3.213867
395.2511 2.428345
395.7332 2.731689
396.2154 5.082397
396.6975 7.125244
397.1796 8.575195
397.6617 9.333130
398.1438 9.259155
398.6259 7.205811
399.1081 5.494141
399.5902 5.226074
400.0723 6.869263
400.5544 6.657959
401.0365 1.889282
401.5186 2.823242
402.0008 3.298462
402.4829 3.989746
402.9650 8.702026
403.4471 8.736938
403.9292 5.320557
404.4113 3.692871
404.8935 4.353027
405.3756 5.631836
405.8577 6.904663
406.3398 8.274292
406.8219 8.817017
407.3040 8.467285
407.7862 7.466187
408.2683 5.919189
408.7504 3.810547
409.2325 1.913574
409.7146 0.3673100
410.1967 0.6928710
410.6789 0.7615970
411.1610 0.2041020
411.6431 1.491821
412.1252 2.615967
412.6073 3.580444
413.0894 4.356812
413.5716 4.888062
414.0537 5.276123
414.5358 5.611084
415.0179 5.870972
415.5000 6.038818
415.9821 5.662354
416.4643 5.380005
416.9464 6.183350
417.4285 8.210083
417.9106 9.726074
418.3927 8.716553
418.8748 6.841064
419.3570 6.073853
419.8391 8.394165
420.3212 10.66797
420.8033 11.60242
421.2854 11.38245
421.7675 10.91797
422.2497 10.69104
422.7318 10.17969
423.2139 8.887573
423.6960 5.723755
424.1781 4.120117
424.6602 6.142090
425.1424 9.536987
425.6245 10.84814
426.1066 7.529297
426.5887 5.298706
427.0709 5.833130
427.5530 9.145386
428.0351 11.11609
428.5172 11.03333
428.9993 10.63623
429.4814 11.52710
429.9636 14.18762
430.4457 15.11487
430.9278 13.77380
431.4099 11.23669
431.8920 10.06299
432.3741 10.47998
432.8563 10.37354
433.3384 8.024414
433.8205 4.034668
434.3026 2.872070
434.7847 4.793579
435.2668 7.414063
435.7490 7.849365
436.2311 6.859985
436.7132 7.313354
437.1953 10.75647
437.6774 14.86279
438.1595 16.43164
438.6417 15.88940
439.1238 14.98767
439.6059 14.52344
440.0880 14.37988
440.5701 14.57898
441.0522 15.21509
441.5344 15.56836
442.0165 15.08850
442.4986 14.10168
442.9807 12.99731
443.4628 11.34155
443.9449 10.14819
444.4271 10.10815
444.9092 11.00342
445.3913 11.54590
445.8734 11.58691
446.3555 11.13623
446.8376 9.872070
447.3198 6.396973
447.8019 4.774170
448.2840 6.688843
448.7661 9.812012
449.2482 10.87585
449.7303 8.909912
450.2125 6.452271
450.6946 3.552734
451.1767 0.3535160
451.6588 0.8344730
452.1409 0.4537350
452.6230 2.655273
453.1052 5.294556
453.5873 8.636353
454.0694 9.225342
454.5515 6.035278
455.0337 1.471924
455.5158 0.2032470
455.9979 0.8117680
456.4800 1.814453
456.9621 1.409180
457.4442 0.2608640
457.9264 4.8705999E-02
458.4085 0.7314450
458.8906 1.383911
459.3727 1.033325
459.8548 0.2705080
460.3369 2.5635000E-02
460.8191 9.2407003E-02
461.3012 0.2479250
461.7833 1.466553
462.2654 3.193604
462.7475 4.700684
463.2296 6.295044
463.7118 7.077515
464.1939 5.975952
464.6760 2.890625
465.1581 0.6875000
465.6402 0.5356450
466.1223 1.393311
466.6045 2.515259
467.0866 4.465454
467.5687 5.759033
468.0508 6.022461
468.5329 5.637939
469.0150 5.400391
469.4972 5.324097
469.9793 5.319824
470.4614 5.405762
470.9435 5.595703
471.4256 5.630859
471.9077 5.582153
472.3899 5.276611
472.8720 4.435791
473.3541 2.998169
473.8362 1.763306
474.3183 0.7056880
474.8004 0.1160890
475.2826 0.9133300
475.7647 2.983154
476.2468 4.782104
476.7289 5.371582
477.2110 5.151001
477.6931 4.989380
478.1753 4.886963
478.6574 4.683228
479.1395 4.132690
479.6216 3.420776
480.1037 2.837036
480.5858 2.527832
481.0680 2.237061
481.5501 1.796021
482.0322 1.248413
482.5143 0.7271730
482.9964 0.1044920
483.4786 0.3336180
483.9607 0.2736820
484.4428 0.3590090
484.9249 0.6149900
485.4070 0.1264650
485.8892 0.6837160
486.3713 1.590698
486.8534 4.385620
487.3355 4.483154
487.8176 0.2100830
488.2997 6.986694
488.7819 9.834839
489.2640 6.853271
489.7461 4.239136
490.2282 4.309692
490.7103 6.831543
491.1924 7.664063
491.6746 6.464478
492.1567 4.886841
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1302.596 0.0000000E+00
