#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:17:30 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1066 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000511.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_1000511
loop_
_publ_author_name
'Burns, P. C.'
'Hawthorne, F. C.'
_publ_section_title
;
 Hydrogen bonding in borcarite, an unusual borate-carbonate mineral
 Locality: Yakutskaya, Russia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              297
_journal_page_last               304
_journal_paper_doi               10.1180/minmag.1995.059.395.13
_journal_volume                  59
_journal_year                    1995
_chemical_compound_source        R110094
_chemical_formula_sum            'C2 H6 B4 Ca4 Mg O18'
_chemical_name_mineral           Borcarite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.04
_cell_angle_gamma                90
_cell_length_a                   17.840
_cell_length_b                   8.380
_cell_length_c                   4.445
_cell_volume                     649.906
_exptl_crystal_density_diffrn    2.790
_cod_original_formula_sum        'Ca4 Mg B4 C2 O18 H6'
_cod_database_code               9009498
_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            R110094.rod
_rod_data_source.block           3500000
_rod_database.code               1000511
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 9009498 COD http://www.crystallography.net/cod/9009498.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
135.3290 0.0000000E+00
135.8112 0.7369100
136.2933 1.638649
136.7754 2.475118
137.2575 2.889541
137.7396 2.555144
138.2217 2.538298
138.7039 2.849744
139.1860 3.241341
139.6681 3.171994
140.1502 2.688689
140.6323 3.110776
141.1144 4.920425
141.5966 6.524811
142.0787 6.618818
142.5608 6.223765
143.0429 5.354539
143.5250 4.414469
144.0071 3.442898
144.4893 2.442314
144.9714 1.412107
145.4535 0.2008990
145.9356 0.8910010
146.4177 1.580850
146.8998 1.817836
147.3820 1.737150
147.8641 1.310527
148.3462 0.5058960
148.8283 0.3937520
149.3104 1.590907
149.7925 2.793991
150.2747 3.687710
150.7568 3.630147
151.2389 3.886474
151.7210 4.836956
152.2031 6.760569
152.6852 8.453695
153.1674 9.661545
153.6495 10.69319
154.1316 12.00673
154.6137 13.91812
155.0958 15.87363
155.5779 17.60927
156.0601 18.75009
156.5422 20.49384
157.0243 23.32818
157.5064 26.85552
157.9885 30.30605
158.4706 33.93917
158.9528 37.14745
159.4349 39.57300
159.9170 40.69498
160.3991 41.86240
160.8812 43.20073
161.3633 44.83033
161.8455 47.06715
162.3276 50.63448
162.8097 54.45084
163.2918 57.88474
163.7739 60.41454
164.2560 63.00853
164.7382 66.04684
165.2203 69.48399
165.7024 73.14602
166.1845 76.90266
166.6666 80.88691
167.1487 85.18341
167.6309 90.14662
168.1130 95.15375
168.5951 100.3750
169.0772 105.5956
169.5593 109.3232
170.0414 111.3504
170.5236 111.1830
171.0057 108.1853
171.4878 100.6094
171.9699 91.28909
172.4520 82.16978
172.9341 73.24282
173.4163 64.92265
173.8984 57.05821
174.3805 50.00088
174.8626 44.53088
175.3447 41.69675
175.8268 40.06433
176.3090 37.99247
176.7911 35.49002
177.2732 33.27407
177.7553 31.62153
178.2374 30.42841
178.7195 29.76389
179.2017 30.28909
179.6838 31.13493
180.1659 30.84628
180.6480 29.37345
181.1301 27.56767
181.6122 26.03218
182.0944 24.78426
182.5765 23.91781
183.0586 23.36842
183.5407 23.22414
184.0228 23.90481
184.5049 25.53584
184.9871 27.20437
185.4692 27.56929
185.9513 26.87277
186.4334 26.37998
186.9155 26.59966
187.3976 27.47017
187.8798 28.89983
188.3619 30.94217
188.8440 33.26444
189.3261 35.15809
189.8082 36.70619
190.2903 38.82437
190.7725 42.11814
191.2546 46.47379
191.7367 51.02323
192.2188 55.80443
192.7009 60.61409
193.1830 65.04608
193.6652 69.15427
194.1473 72.85975
194.6294 76.08663
195.1115 78.84235
195.5936 81.08914
196.0757 82.70156
196.5579 84.02178
197.0400 85.61666
197.5221 87.47684
198.0042 89.67339
198.4863 92.30846
198.9684 95.37101
199.4506 98.64534
199.9327 102.1027
200.4148 105.7379
200.8969 109.5063
201.3790 113.4549
201.8611 117.4943
202.3433 121.1992
202.8254 124.3914
203.3075 129.3871
203.7896 136.6456
204.2717 145.4507
204.7538 153.8902
205.2360 161.8458
205.7181 169.9803
206.2002 178.7865
206.6823 188.3362
207.1644 197.8702
207.6465 207.8461
208.1287 217.4728
208.6108 225.1588
209.0929 231.5606
209.5750 234.2869
210.0571 231.9613
210.5392 224.5319
211.0214 212.1662
211.5035 193.4347
211.9856 170.3190
212.4677 148.5210
212.9498 127.3362
213.4319 108.9105
213.9140 94.60850
214.3962 85.12144
214.8783 77.20998
215.3604 70.72621
215.8425 65.60749
216.3246 61.95871
216.8067 59.98722
217.2889 59.00193
217.7710 58.57808
218.2531 58.67343
218.7352 59.46639
219.2173 61.05630
219.6994 63.37364
220.1816 66.02129
220.6637 69.17351
221.1458 72.42088
221.6279 75.37758
222.1100 77.72024
222.5921 80.71233
223.0743 84.64085
223.5564 89.29937
224.0385 93.91073
224.5206 98.19401
225.0027 102.7074
225.4848 107.8347
225.9670 113.7892
226.4491 119.7710
226.9312 125.8670
227.4133 131.9779
227.8954 137.9237
228.3775 143.6743
228.8597 149.0981
229.3418 154.1337
229.8239 159.0261
230.3060 162.9650
230.7881 165.5732
231.2702 167.1304
231.7524 168.8871
232.2345 171.0098
232.7166 173.0713
233.1987 174.7076
233.6808 175.5019
234.1629 176.6579
234.6451 178.2236
235.1272 180.2199
235.6093 182.8025
236.0914 186.3172
236.5735 190.0195
237.0556 193.3813
237.5378 195.9134
238.0199 199.0046
238.5020 202.7724
238.9841 207.2552
239.4662 212.3508
239.9483 218.2895
240.4305 224.4853
240.9126 230.7207
241.3947 237.0721
241.8768 243.3447
242.3589 249.7363
242.8410 256.0270
243.3232 261.6833
243.8053 267.3710
244.2874 271.4667
244.7695 273.1777
245.2516 272.5356
245.7337 269.5022
246.2159 264.0880
246.6980 256.2350
247.1801 245.8573
247.6622 232.3587
248.1443 217.0820
248.6264 200.5402
249.1086 181.6669
249.5907 163.8108
250.0728 146.9209
250.5549 131.1087
251.0370 116.6493
251.5191 103.4344
252.0013 91.71747
252.4834 81.52626
252.9655 73.17740
253.4476 65.79154
253.9297 59.39308
254.4118 53.95940
254.8940 49.36299
255.3761 45.83472
255.8582 42.71456
256.3403 39.69655
256.8224 36.59182
257.3046 34.26141
257.7867 32.92134
258.2688 32.23352
258.7509 31.53543
259.2330 30.67216
259.7151 30.12937
260.1973 30.20245
260.6794 31.10477
261.1615 31.63029
261.6436 31.60752
262.1257 31.35352
262.6078 31.41751
263.0900 31.91495
263.5721 32.45263
264.0542 32.82288
264.5363 32.94146
265.0184 33.55690
265.5005 34.87643
265.9827 36.46141
266.4648 37.58881
266.9469 37.93824
267.4290 38.75882
267.9111 40.63345
268.3932 43.65117
268.8754 46.14896
269.3575 48.12775
269.8396 49.58214
270.3217 50.49014
270.8038 50.86633
271.2859 50.61278
271.7681 49.54913
272.2502 47.71167
272.7323 46.02975
273.2144 44.59404
273.6965 43.18916
274.1786 41.75936
274.6608 40.42522
275.1429 38.27407
275.6250 34.77851
276.1071 30.20466
276.5892 26.49524
277.0714 23.89933
277.5535 21.62907
278.0356 18.83452
278.5177 15.41354
278.9998 12.54945
279.4819 10.60567
279.9641 9.368702
280.4462 7.997478
280.9283 6.446018
281.4104 4.938362
281.8925 3.621407
282.3746 2.495541
282.8568 1.534641
283.3389 0.7524380
283.8210 0.1192860
284.3031 0.4674640
284.7852 1.021000
285.2673 1.426960
285.7495 1.497318
286.2316 1.269848
286.7137 1.270897
287.1958 1.611610
287.6779 2.144314
288.1600 2.585781
288.6422 2.935684
289.1243 3.256413
289.6064 3.688587
290.0885 4.162758
290.5706 4.224415
291.0527 3.755367
291.5349 3.055706
292.0170 2.512554
292.4991 2.134792
292.9812 1.974358
293.4633 2.369286
293.9454 3.034485
294.4276 2.885384
294.9097 1.712769
295.3918 0.3737830
295.8739 7.4215002E-02
296.3560 0.6207890
296.8381 1.144974
297.3203 1.215923
297.8024 0.9831430
298.2845 0.7232510
298.7666 0.4313580
299.2487 0.1485860
299.7308 8.0220001E-03
300.2130 6.8614997E-02
300.6951 0.3173980
301.1772 1.067669
301.6593 1.947910
302.1414 2.344860
302.6235 2.274761
303.1057 2.207703
303.5878 2.615734
304.0699 3.288689
304.5520 3.815971
305.0341 3.853451
305.5162 3.899700
305.9984 4.739056
306.4805 6.214546
306.9626 7.381008
307.4447 7.167660
307.9268 6.419613
308.4089 6.240219
308.8911 7.115200
309.3732 8.324329
309.8553 9.491753
310.3374 10.56721
310.8195 11.39967
311.3016 11.45782
311.7838 11.41107
312.2659 11.90882
312.7480 13.36345
313.2301 14.83220
313.7122 15.79175
314.1943 16.36695
314.6765 16.79604
315.1586 16.91589
315.6407 17.13501
316.1228 17.81042
316.6049 19.02448
317.0870 20.28621
317.5692 21.46452
318.0513 22.58207
318.5334 23.61510
319.0155 24.63351
319.4976 25.48954
319.9797 26.12866
320.4619 26.55704
320.9440 26.72980
321.4261 26.68755
321.9082 26.37032
322.3903 25.72968
322.8724 24.19189
323.3546 22.80716
323.8367 22.00787
324.3188 21.79670
324.8009 21.35833
325.2830 20.32889
325.7651 19.15133
326.2473 18.12528
326.7294 17.55215
327.2115 16.88778
327.6936 15.89219
328.1757 14.70028
328.6578 13.94966
329.1400 14.25372
329.6221 14.49640
330.1042 14.15000
330.5863 12.31129
331.0684 11.39425
331.5505 11.88241
332.0327 13.20564
332.5148 14.10180
332.9969 14.32854
333.4790 14.44929
333.9611 14.67783
334.4432 15.09628
334.9254 15.24744
335.4075 14.91383
335.8896 14.49296
336.3717 14.63936
336.8538 15.74355
337.3359 16.45007
337.8180 16.24275
338.3001 15.14424
338.7823 14.53708
339.2644 14.65216
339.7465 14.82038
340.2286 14.31428
340.7107 13.01189
341.1928 11.78452
341.6750 10.78886
342.1571 9.995163
342.6392 9.420990
343.1213 9.089699
343.6034 8.852459
344.0855 8.677036
344.5677 8.546040
345.0498 8.116428
345.5319 7.204758
346.0140 6.197151
346.4961 6.016857
346.9782 6.626797
347.4604 7.034229
347.9425 6.458950
348.4246 5.209148
348.9067 4.390186
349.3888 4.104576
349.8709 4.076370
350.3531 4.167904
350.8352 4.276443
351.3173 4.035610
351.7994 2.809380
352.2815 1.326717
352.7636 0.9352260
353.2458 1.636471
353.7279 2.472599
354.2100 2.708096
354.6921 2.506851
355.1742 2.159462
355.6563 1.635223
356.1385 1.146328
356.6206 0.8335270
357.1027 0.7078130
357.5848 0.8239780
358.0669 1.627674
358.5490 2.488304
359.0312 2.720947
359.5133 1.923393
359.9954 1.088051
360.4775 0.8238790
360.9596 0.9378620
361.4417 1.024284
361.9239 1.039688
362.4060 0.8901440
362.8881 0.3757250
363.3702 0.6687130
363.8523 1.287565
364.3344 0.8212050
364.8166 0.1122550
365.2987 0.8131030
365.7808 1.054283
366.2629 1.094555
366.7450 0.9303590
367.2271 0.5664500
367.7093 0.2430840
368.1914 0.1931690
368.6735 0.4678880
369.1556 0.3973690
369.6377 0.5392460
370.1198 1.171238
370.6020 1.304956
371.0841 1.081163
371.5662 1.034824
372.0483 1.505238
372.5304 1.738491
373.0125 1.286085
373.4947 0.3915250
373.9768 1.132029
374.4589 0.5275040
374.9410 0.6779590
375.4231 1.259258
375.9052 1.003708
376.3874 0.7382430
376.8695 0.7435470
377.3516 1.009121
377.8337 1.071753
378.3158 0.9028850
378.7979 0.6175040
379.2801 0.2285940
379.7622 0.2868560
380.2443 0.4210410
380.7264 9.1833003E-02
381.2085 0.9075640
381.6906 0.9604680
382.1728 0.2336580
382.6549 0.3943980
383.1370 0.1581380
383.6191 0.7117770
384.1012 1.274876
384.5833 1.394096
385.0655 1.351643
385.5476 1.508444
386.0297 1.821512
386.5118 2.129349
386.9939 2.317516
387.4760 2.471668
387.9582 2.751116
388.4403 3.162666
388.9224 3.535469
389.4045 3.607512
389.8866 3.582846
390.3687 3.763300
390.8509 4.428762
391.3330 5.132111
391.8151 5.544081
392.2972 5.719984
392.7793 5.892817
393.2614 6.010592
393.7436 6.272871
394.2257 6.887695
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395.1899 9.147541
395.6720 9.644520
396.1541 9.876863
396.6363 10.32876
397.1184 11.27192
397.6005 12.37325
398.0826 13.50567
398.5647 14.63891
399.0468 15.68822
399.5290 16.65167
400.0111 17.54522
400.4932 18.37247
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401.9395 20.65913
402.4217 21.35065
402.9038 21.97240
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404.3501 23.89159
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406.2786 30.79859
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407.2428 35.76504
407.7249 37.98311
408.2071 39.07330
408.6892 39.27635
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409.6534 41.99124
410.1355 43.80177
410.6176 44.89914
411.0998 45.37922
411.5819 45.63213
412.0640 45.72902
412.5461 45.64444
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413.5103 45.06797
413.9925 44.24361
414.4746 42.60492
414.9567 40.46717
415.4388 38.26379
415.9209 35.99392
416.4030 33.87821
416.8852 32.32202
417.3673 30.99117
417.8494 29.33031
418.3315 26.32408
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419.2957 22.16304
419.7779 21.96155
420.2600 22.16432
420.7421 22.86695
421.2242 23.49393
421.7063 23.62025
422.1884 22.89383
422.6706 22.42415
423.1527 22.47131
423.6348 22.89324
424.1169 23.45288
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425.0811 25.08770
425.5633 25.71715
426.0454 26.13888
426.5275 26.58602
427.0096 26.98783
427.4917 27.56115
427.9738 28.43213
428.4560 29.71917
428.9381 31.00817
429.4202 32.30534
429.9023 33.55862
430.3844 34.59290
430.8665 35.33227
431.3487 35.95106
431.8308 36.46774
432.3129 36.93274
432.7950 38.19242
433.2771 40.46411
433.7592 42.75928
434.2414 43.68251
434.7235 43.35020
435.2056 43.10062
435.6877 43.49767
436.1698 44.12762
436.6519 44.12605
437.1341 43.49919
437.6162 42.53010
438.0983 41.40485
438.5804 40.15899
439.0625 38.83509
439.5446 37.48581
440.0268 35.75865
440.5089 33.11122
440.9910 29.90198
441.4731 26.82667
441.9552 23.93472
442.4373 21.38257
442.9195 19.32303
443.4016 17.75230
443.8837 16.31992
444.3658 14.94083
444.8479 13.59764
445.3300 12.29075
445.8122 10.93955
446.2943 9.712505
446.7764 8.514843
447.2585 7.449093
447.7406 6.781521
448.2227 7.214138
448.7049 7.358494
449.1870 6.643112
449.6691 4.819139
450.1512 3.713276
450.6333 3.723917
451.1154 4.032276
451.5976 3.831861
452.0797 2.939438
452.5618 2.173706
453.0439 1.715157
453.5260 1.438215
454.0081 0.8326870
454.4903 0.1835610
454.9724 1.001457
455.4545 1.224840
455.9366 0.9233470
456.4187 0.5127410
456.9008 3.9237998E-02
457.3830 0.4340900
457.8651 6.3198000E-02
458.3472 0.8066040
458.8293 1.274006
459.3114 0.8530540
459.7935 9.3042001E-02
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