#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:36 +0300 (Thu, 26 Apr 2018) $
#$Revision: 579 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000121.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_1000121
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 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            R110025.rod
_rod_data_source.block           3500000
_rod_database.code               1000121
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
141.7098 0.0000000E+00
142.1919 0.5577620
142.6740 0.7280430
143.1561 0.5244370
143.6383 8.0406003E-02
144.1204 3.1105001E-02
144.6025 0.2310940
145.0846 1.120621
145.5667 1.480667
146.0488 1.330284
146.5310 0.9366530
147.0131 0.5140990
147.4952 6.7244999E-02
147.9773 0.2500610
148.4594 0.1200790
148.9415 0.3725360
149.4237 0.7594760
149.9058 0.7748410
150.3879 0.5470280
150.8700 0.4263840
151.3521 0.4726940
151.8342 0.6477810
152.3164 0.9953840
152.7985 1.478065
153.2806 1.823700
153.7627 1.758911
154.2448 1.274422
154.7269 0.8396610
155.2091 0.3797610
155.6912 0.1055150
156.1733 0.2552490
156.6554 0.7980270
157.1375 1.380859
157.6196 1.515854
158.1018 0.9529110
158.5839 0.6753230
159.0660 0.9727020
159.5481 1.370949
160.0302 1.519653
160.5123 1.354660
160.9945 1.122643
161.4766 1.246109
161.9587 1.803917
162.4408 2.681007
162.9229 4.166618
163.4050 5.801804
163.8871 7.176491
164.3693 8.141563
164.8514 8.792084
165.3335 9.345604
165.8156 9.921570
166.2977 10.23188
166.7798 9.968376
167.2620 9.468452
167.7441 9.309578
168.2262 9.805107
168.7083 10.64352
169.1904 10.87792
169.6725 10.08237
170.1547 9.571068
170.6368 10.08133
171.1189 11.35066
171.6010 12.46745
172.0831 12.94057
172.5652 13.07699
173.0474 13.58196
173.5295 14.65975
174.0116 15.71360
174.4937 16.17769
174.9758 16.05463
175.4579 16.07132
175.9401 16.76746
176.4222 17.65642
176.9043 18.12266
177.3864 17.89301
177.8685 17.61510
178.3506 18.18739
178.8328 19.83442
179.3149 21.55259
179.7970 22.79868
180.2791 24.04610
180.7612 25.80361
181.2433 28.33359
181.7255 31.19150
182.2076 33.49123
182.6897 35.28689
183.1718 36.29977
183.6539 36.22890
184.1360 35.61266
184.6181 34.93245
185.1003 34.40816
185.5824 34.04659
186.0645 33.89568
186.5466 34.40916
187.0287 34.56199
187.5108 34.13062
187.9930 33.29997
188.4751 32.23815
188.9572 31.02534
189.4393 29.73303
189.9214 28.78535
190.4035 28.24288
190.8857 27.97849
191.3678 27.93472
191.8499 28.16206
192.3320 28.80318
192.8141 29.98959
193.2962 31.63062
193.7784 33.03661
194.2605 33.95379
194.7426 34.96187
195.2247 36.47952
195.7068 38.29176
196.1889 39.75636
196.6711 40.40097
197.1532 40.39761
197.6353 40.73036
198.1174 41.38916
198.5995 42.41481
199.0816 44.03276
199.5638 46.21532
200.0459 48.49057
200.5280 50.40459
201.0101 52.32872
201.4922 55.11496
201.9743 59.17729
202.4565 63.69878
202.9386 68.44019
203.4207 73.44617
203.9028 77.52945
204.3849 80.83182
204.8670 82.36245
205.3492 80.47747
205.8313 74.11864
206.3134 65.24210
206.7955 55.41635
207.2776 44.07793
207.7597 34.27126
208.2419 27.75597
208.7240 23.34987
209.2061 20.42032
209.6882 19.00728
210.1703 18.50004
210.6524 17.85292
211.1346 16.91949
211.6167 16.24846
212.0988 16.15640
212.5809 16.31780
213.0630 16.46644
213.5451 16.51252
214.0273 16.42843
214.5094 16.10284
214.9915 15.27401
215.4736 14.72349
215.9557 14.55871
216.4378 14.67501
216.9200 15.02396
217.4021 15.58150
217.8842 16.28918
218.3663 16.99722
218.8484 17.87640
219.3305 18.50355
219.8127 18.51969
220.2948 18.35216
220.7769 18.44605
221.2590 18.99466
221.7411 19.94788
222.2232 21.16469
222.7054 22.98252
223.1875 24.67714
223.6696 26.20053
224.1517 27.58514
224.6338 28.82494
225.1159 29.92051
225.5980 30.94485
226.0802 32.11376
226.5623 33.42825
227.0444 34.89340
227.5265 37.14734
228.0086 39.37302
228.4907 40.48843
228.9729 40.03489
229.4550 38.33160
229.9371 36.11693
230.4192 33.26712
230.9013 30.14984
231.3834 26.33351
231.8656 22.39459
232.3477 19.23895
232.8298 17.25320
233.3119 16.03479
233.7940 14.74069
234.2761 13.23282
234.7583 11.98257
235.2404 11.04153
235.7225 10.44572
236.2046 10.31382
236.6867 10.75424
237.1688 11.50157
237.6510 12.11461
238.1331 12.57307
238.6152 13.04921
239.0973 13.78188
239.5794 14.56345
240.0615 14.91891
240.5437 14.66138
241.0258 14.05916
241.5079 13.47274
241.9900 12.91311
242.4721 12.20478
242.9542 11.18356
243.4364 9.958618
243.9185 8.799187
244.4006 7.749947
244.8827 6.799599
245.3648 5.923843
245.8469 5.120392
246.3290 4.422623
246.8112 3.898949
247.2933 3.500854
247.7754 3.058655
248.2575 2.518456
248.7396 1.992332
249.2217 1.481796
249.7039 1.025841
250.1860 0.7909930
250.6681 1.020515
251.1502 1.569527
251.6323 1.931519
252.1144 2.154785
252.5966 2.036835
253.0787 1.240982
253.5608 5.4198999E-02
254.0429 0.8821030
254.5250 1.127365
255.0071 0.8325500
255.4893 0.5685810
255.9714 0.3242260
256.4535 0.1248250
256.9356 4.7828998E-02
257.4177 0.1687010
257.8998 0.1850430
258.3820 1.5472000E-02
258.8641 0.2979970
259.3462 0.2760620
259.8283 0.2842640
260.3104 0.7704320
260.7925 1.027222
261.2747 1.117493
261.7568 1.066422
262.2389 0.8488080
262.7210 0.5173800
263.2031 0.1365660
263.6852 0.4407730
264.1674 0.7957760
264.6495 0.7609860
265.1316 0.5228730
265.6137 0.2557300
266.0958 3.0800000E-02
266.5779 0.1501160
267.0601 0.2785030
267.5422 0.3397750
268.0243 0.3686290
268.5064 0.3237760
268.9885 0.2792050
269.4706 0.3333130
269.9528 0.5154040
270.4349 0.7186740
270.9170 0.7229160
271.3991 0.3901290
271.8812 0.1248320
272.3633 0.1638340
272.8455 0.3152080
273.3276 0.1036830
273.8097 0.4826660
274.2918 1.149178
274.7739 1.441658
275.2560 1.199211
275.7382 0.8957210
276.2202 0.2646030
276.7024 0.2219390
277.1845 0.1370540
277.6666 0.5015180
278.1487 1.233658
278.6308 1.462563
279.1129 0.9356230
279.5951 0.7848510
280.0772 1.244240
280.5593 1.803192
281.0414 2.232803
281.5235 2.508881
282.0056 2.702377
282.4878 2.872772
282.9699 3.013313
283.4520 3.188835
283.9341 3.646515
284.4162 3.903648
284.8983 3.632523
285.3805 2.973671
285.8626 2.305473
286.3447 1.910530
286.8268 1.787651
287.3089 1.766724
287.7910 1.843559
288.2732 2.015648
288.7553 2.426804
289.2374 2.926216
289.7195 3.185387
290.2016 2.972504
290.6837 2.429985
291.1659 2.366722
291.6480 3.380211
292.1301 4.170258
292.6122 4.506363
293.0943 4.496628
293.5764 4.201546
294.0586 3.631233
294.5407 2.998665
295.0228 2.881653
295.5049 3.744797
295.9870 4.588905
296.4691 5.501564
296.9513 6.326881
297.4334 6.908257
297.9155 7.191795
298.3976 7.215286
298.8797 7.028641
299.3618 6.505142
299.8440 5.982109
300.3261 5.518829
300.8082 5.023499
301.2903 4.380447
301.7724 3.585342
302.2545 2.755882
302.7367 2.004898
303.2188 1.305870
303.7009 0.8674850
304.1830 0.7251740
304.6651 0.7807160
305.1472 1.107117
305.6294 1.625580
306.1115 2.046204
306.5936 2.110977
307.0757 1.797813
307.5578 1.476601
308.0399 0.9760590
308.5221 0.6328660
309.0042 0.7177430
309.4863 1.095070
309.9684 1.394569
310.4505 1.361313
310.9326 1.062721
311.4148 0.9751970
311.8969 1.397942
312.3790 1.578606
312.8611 1.195480
313.3432 0.5094680
313.8253 9.4864003E-02
314.3075 0.4536510
314.7896 0.5742340
315.2717 0.4515150
315.7538 0.2204740
316.2359 0.6913300
316.7180 0.8570250
317.2001 0.8135990
317.6823 0.5793910
318.1644 0.1446690
318.6465 0.2850950
319.1286 0.3919750
319.6107 1.1101000E-02
320.0928 0.3181530
320.5750 0.5234830
321.0571 0.6437610
321.5392 0.5507810
322.0213 0.2895280
322.5034 0.1614990
322.9855 0.4928670
323.4677 1.389557
323.9498 1.980377
324.4319 2.057877
324.9140 2.057915
325.3961 2.227654
325.8782 2.519577
326.3604 2.742897
326.8425 2.765099
327.3246 2.597511
327.8067 2.358620
328.2888 1.748611
328.7709 1.414299
329.2531 1.808586
329.7352 2.537064
330.2173 2.877907
330.6994 2.481209
331.1815 1.715172
331.6636 1.517838
332.1458 2.895500
332.6279 3.560051
333.1100 2.828903
333.5921 1.656670
334.0742 0.9687270
334.5563 1.003853
335.0385 1.453438
335.5206 1.868317
336.0027 2.276505
336.4848 2.477295
336.9669 2.318993
337.4490 2.097290
337.9312 2.039604
338.4133 2.130829
338.8954 2.144150
339.3775 1.820686
339.8596 1.053612
340.3417 0.9955520
340.8239 2.399605
341.3060 3.644547
341.7881 4.056320
342.2702 3.873421
342.7523 3.646370
343.2344 3.714485
343.7166 4.009552
344.1987 4.199905
344.6808 4.006882
345.1629 4.033768
345.6450 4.431923
346.1271 5.038979
346.6093 5.741997
347.0914 6.483025
347.5735 7.154259
348.0556 7.503799
348.5377 7.174751
349.0198 7.180649
349.5020 7.812286
349.9841 8.516571
350.4662 8.915039
350.9483 8.971237
351.4304 8.895546
351.9125 8.941864
352.3947 9.179604
352.8768 9.070267
353.3589 8.183144
353.8410 7.380661
354.3231 6.990189
354.8052 6.922119
355.2874 6.930084
355.7695 6.845154
356.2516 6.703857
356.7337 6.713356
357.2158 6.912773
357.6979 7.231026
358.1800 8.049004
358.6621 8.806831
359.1443 8.785217
359.6264 7.712921
360.1085 6.139763
360.5906 5.073006
361.0727 4.763474
361.5548 4.309746
362.0370 3.349060
362.5191 2.431480
363.0012 1.909920
363.4833 1.802689
363.9654 1.899963
364.4475 2.091362
364.9297 2.401794
365.4118 2.365639
365.8939 1.601303
366.3760 0.8950880
366.8581 0.5953830
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368.3045 0.4981460
368.7866 0.3186490
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372.1614 1.125252
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375.0541 0.7927400
375.5362 0.6610180
376.0183 0.4015200
376.5005 0.1343150
376.9826 2.8403999E-02
377.4647 7.6629996E-02
377.9468 0.1292040
378.4289 0.2415620
378.9110 0.2599260
379.3932 4.5554999E-02
379.8753 0.3279950
380.3574 0.7501140
380.8395 1.302238
381.3216 1.814095
381.8037 1.958290
382.2859 1.736710
382.7680 1.470879
383.2501 1.255676
383.7322 1.101013
384.2143 0.9983900
384.6964 0.9403990
385.1786 0.9666210
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386.1428 1.615448
386.6249 1.650017
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387.5891 0.5474780
388.0713 0.4416660
388.5534 0.7752380
389.0355 1.112419
389.5176 1.506744
389.9997 1.777596
390.4818 1.641800
390.9640 1.115028
391.4461 0.6201100
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393.3745 0.8525240
393.8567 1.038788
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395.3030 1.668213
395.7851 0.9850230
396.2672 7.4874997E-02
396.7494 0.3839420
397.2315 0.2330250
397.7136 3.0906999E-02
398.1957 0.5562820
398.6778 1.075577
399.1599 1.371681
399.6420 1.426979
400.1241 1.348648
400.6063 1.223373
401.0884 1.044716
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402.0526 0.4299010
402.5347 0.1300890
403.0168 3.0396000E-02
403.4990 5.2733999E-02
403.9811 9.5031999E-02
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404.9453 0.8511660
405.4274 1.099129
405.9095 1.160828
406.3917 1.082443
406.8738 0.5564960
407.3559 6.9954000E-02
407.8380 0.1184840
408.3201 0.7082370
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410.2486 0.8964770
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411.2128 1.575706
411.6949 1.599945
412.1771 1.457695
412.6592 1.328468
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413.6234 1.333199
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415.5519 1.605347
416.0340 2.142494
416.5161 2.547340
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418.9267 2.064423
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419.8909 2.066238
420.3730 1.944580
420.8552 1.737648
421.3373 1.532433
421.8194 1.359741
422.3015 1.199471
422.7836 0.9814150
423.2657 0.7086790
423.7479 0.5977710
424.2300 0.8117750
424.7121 1.170311
425.1942 1.389755
425.6763 1.455124
426.1584 1.469818
426.6406 1.434624
427.1227 1.390358
427.6048 1.437820
428.0869 1.603584
428.5690 1.732964
429.0511 1.667175
429.5333 1.402443
430.0154 1.193886
430.4975 1.058037
430.9796 0.9633410
431.4617 0.9218750
431.9438 0.9091800
432.4260 0.8215560
432.9081 0.5827330
433.3902 0.3508380
433.8723 0.5260540
434.3544 1.620888
434.8365 2.266205
435.3187 2.127739
435.8008 1.714172
436.2829 1.450020
436.7650 1.374619
437.2471 1.238510
437.7292 0.7529910
438.2114 0.1037600
438.6935 0.5414890
439.1756 0.2010120
439.6577 0.1669080
440.1398 0.4941640
440.6219 0.7183000
441.1040 0.7200850
441.5862 0.4513780
442.0683 9.7069003E-02
442.5504 2.0233000E-02
443.0325 0.3358840
443.5146 0.5769880
443.9967 0.7104720
444.4789 0.7542880
444.9610 0.6381380
445.4431 0.4188160
445.9252 0.2674790
446.4073 0.2674030
446.8894 0.4391330
447.3716 1.014435
447.8537 2.381470
448.3358 3.172409
448.8179 2.058952
449.3000 0.3663940
449.7821 0.4124600
450.2643 0.1599120
450.7464 1.021263
451.2285 1.198128
451.7106 0.8461230
452.1927 0.7911300
452.6748 1.320847
453.1570 1.922646
453.6391 2.071045
454.1212 1.844452
454.6033 1.491829
455.0854 0.9499820
455.5675 0.4195330
456.0497 0.1111220
456.5318 7.4160001E-03
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