#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:54:13 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1004 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000461.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_1000461
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        R060591
_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            R060591.rod
_rod_data_source.block           3500000
_rod_database.code               1000461
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
157.5064 0.0000000E+00
157.9885 0.5234300
158.4706 0.2237550
158.9528 9.4733998E-02
159.4349 0.1478730
159.9170 0.2402420
160.3991 0.3710860
160.8812 2.159935
161.3633 4.764305
161.8455 7.312614
162.3276 8.974365
162.8097 10.72815
163.2918 13.28642
163.7739 17.01263
164.2560 21.19277
164.7382 25.41785
165.2203 29.79491
165.7024 34.75555
166.1845 40.88914
166.6666 47.54907
167.1487 54.12138
167.6309 61.17790
168.1130 67.44128
168.5951 72.63159
169.0772 76.59188
169.5593 78.12563
170.0414 75.87643
170.5236 70.96939
171.0057 64.74905
171.4878 56.51162
171.9699 47.95335
172.4520 40.35872
172.9341 33.68707
173.4163 27.89194
173.8984 22.91858
174.3805 18.77513
174.8626 15.57686
175.3447 13.94276
175.8268 12.90617
176.3090 11.18480
176.7911 8.776382
177.2732 6.754013
177.7553 5.635086
178.2374 4.998184
178.7195 4.515991
179.2017 4.129272
179.6838 3.815460
180.1659 3.566956
180.6480 3.397644
181.1301 3.197495
181.6122 2.718613
182.0944 2.090469
182.5765 1.734161
183.0586 2.009857
183.5407 2.650269
184.0228 3.110168
184.5049 3.346695
184.9871 3.542877
185.4692 3.723587
185.9513 3.959320
186.4334 4.619385
186.9155 6.049896
187.3976 8.051941
187.8798 9.987915
188.3619 11.80031
188.8440 13.64095
189.3261 15.50070
189.8082 17.42982
190.2903 19.88165
190.7725 23.10719
191.2546 27.09929
191.7367 31.71956
192.2188 37.21054
192.7009 42.73891
193.1830 46.65862
193.6652 48.95641
194.1473 50.98790
194.6294 53.64397
195.1115 56.82617
195.5936 59.08514
196.0757 60.09090
196.5579 60.57930
197.0400 61.90417
197.5221 64.09410
198.0042 66.73631
198.4863 69.79269
198.9684 73.25648
199.4506 76.49748
199.9327 79.33261
200.4148 82.05228
200.8969 85.20677
201.3790 88.83675
201.8611 92.85446
202.3433 97.14819
202.8254 101.6840
203.3075 106.8770
203.7896 112.6577
204.2717 119.1186
204.7538 126.4223
205.2360 134.5503
205.7181 143.5513
206.2002 153.5757
206.6823 164.7285
207.1644 176.2800
207.6465 188.5380
208.1287 200.9292
208.6108 212.6677
209.0929 224.5774
209.5750 233.6412
210.0571 238.5247
210.5392 239.8091
211.0214 234.3564
211.5035 220.7081
211.9856 200.6168
212.4677 178.8681
212.9498 154.1665
213.4319 130.6006
213.9140 110.2413
214.3962 93.13658
214.8783 79.01926
215.3604 68.00009
215.8425 59.91235
216.3246 53.26721
216.8067 48.10724
217.2889 44.17873
217.7710 41.34047
218.2531 39.71674
218.7352 38.79462
219.2173 38.55032
219.6994 38.96858
220.1816 39.94225
220.6637 41.49025
221.1458 43.57048
221.6279 46.19014
222.1100 49.56415
222.5921 52.93831
223.0743 56.14059
223.5564 59.28740
224.0385 63.11116
224.5206 67.54066
225.0027 72.60275
225.4848 78.40413
225.9670 85.22197
226.4491 92.01889
226.9312 98.81982
227.4133 105.5525
227.8954 112.2720
228.3775 119.0352
228.8597 125.5134
229.3418 131.4856
229.8239 137.1075
230.3060 141.8132
230.7881 145.3172
231.2702 147.8369
231.7524 150.2343
232.2345 152.4265
232.7166 154.5554
233.1987 156.6389
233.6808 158.5535
234.1629 160.6143
234.6451 162.7802
235.1272 165.1188
235.6093 167.9467
236.0914 171.3141
236.5735 175.0892
237.0556 179.1201
237.5378 183.0346
238.0199 188.0402
238.5020 194.5537
238.9841 202.2448
239.4662 209.3923
239.9483 215.1765
240.4305 221.6245
240.9126 230.0629
241.3947 241.8380
241.8768 252.6152
242.3589 262.0678
242.8410 270.4120
243.3232 278.6292
243.8053 287.2575
244.2874 294.9075
244.7695 301.0185
245.2516 306.3583
245.7337 308.5751
246.2159 307.5657
246.6980 303.3215
247.1801 295.9614
247.6622 285.2572
248.1443 271.7220
248.6264 255.3348
249.1086 234.4013
249.5907 214.4048
250.0728 195.3405
250.5549 177.2927
251.0370 160.3721
251.5191 144.0283
252.0013 129.6573
252.4834 117.8063
252.9655 109.1017
253.4476 101.5659
253.9297 95.10229
254.4118 89.86443
254.8940 86.13809
255.3761 84.27968
255.8582 83.29053
256.3403 82.79651
256.8224 82.77336
257.3046 83.29922
257.7867 84.37119
258.2688 85.97546
258.7509 88.18929
259.2330 91.28745
259.7151 94.37166
260.1973 97.07008
260.6794 99.19382
261.1615 101.5025
261.6436 103.8183
262.1257 106.4435
262.6078 109.9776
263.0900 114.6875
263.5721 119.6033
264.0542 124.2291
264.5363 128.4649
265.0184 133.5823
265.5005 139.9221
265.9827 146.8477
266.4648 153.4989
266.9469 159.5926
267.4290 166.1412
267.9111 173.8093
268.3932 182.6944
268.8754 190.4834
269.3575 197.0392
269.8396 202.6899
270.3217 207.7727
270.8038 212.3339
271.2859 216.0626
271.7681 218.7751
272.2502 220.4768
272.7323 221.7639
273.2144 222.8188
273.6965 223.0382
274.1786 222.0523
274.6608 220.0536
275.1429 215.7403
275.6250 208.7558
276.1071 199.2273
276.5892 187.2657
277.0714 172.6080
277.5535 156.8092
278.0356 141.0462
278.5177 125.2511
278.9998 110.1186
279.4819 95.62865
279.9641 81.88600
280.4462 70.06224
280.9283 60.26724
281.4104 51.77496
281.8925 43.88026
282.3746 36.57640
282.8568 30.37236
283.3389 25.49937
283.8210 21.66435
284.3031 18.16113
284.7852 14.99979
285.2673 12.01511
285.7495 8.858047
286.2316 5.596985
286.7137 3.181000
287.1958 1.857620
287.6779 1.244873
288.1600 0.6297150
288.6422 9.9950004E-03
289.1243 0.5499110
289.6064 1.039276
290.0885 1.445724
290.5706 1.611923
291.0527 1.468399
291.5349 1.230255
292.0170 1.262085
292.4991 1.543991
292.9812 1.842285
293.4633 2.095917
293.9454 2.271347
294.4276 2.224686
294.9097 1.924347
295.3918 1.502563
295.8739 0.9676670
296.3560 0.3784480
296.8381 5.8440998E-02
297.3203 0.4074710
297.8024 1.097656
298.2845 1.384964
298.7666 1.211105
299.2487 1.005157
299.7308 1.317001
300.2130 1.954422
300.6951 2.441223
301.1772 2.502197
301.6593 2.329788
302.1414 2.250473
302.6235 2.245499
303.1057 2.063049
303.5878 1.247803
304.0699 0.1288910
304.5520 0.6556400
305.0341 0.6670990
305.5162 0.4881590
305.9984 0.6175380
306.4805 1.038513
306.9626 1.733429
307.4447 2.945145
307.9268 4.376541
308.4089 5.674362
308.8911 6.755997
309.3732 7.616318
309.8553 8.030518
310.3374 8.182739
310.8195 8.665451
311.3016 9.959839
311.7838 11.62949
312.2659 13.26277
312.7480 14.79204
313.2301 16.35583
313.7122 18.06755
314.1943 19.89134
314.6765 21.72049
315.1586 23.62968
315.6407 25.44472
316.1228 27.06105
316.6049 28.42361
317.0870 29.69702
317.5692 31.11176
318.0513 32.44681
318.5334 33.38049
319.0155 33.42519
319.4976 33.38043
319.9797 33.71193
320.4619 34.50623
320.9440 34.90498
321.4261 34.33501
321.9082 33.37411
322.3903 32.57257
322.8724 32.37814
323.3546 32.02022
323.8367 31.23758
324.3188 30.04767
324.8009 28.88388
325.2830 27.91835
325.7651 26.94444
326.2473 25.83524
326.7294 24.13127
327.2115 22.82571
327.6936 22.18320
328.1757 22.08473
328.6578 21.89043
329.1400 21.13535
329.6221 20.66969
330.1042 20.86963
330.5863 22.17816
331.0684 23.42865
331.5505 24.55650
332.0327 25.62950
332.5148 26.79178
332.9969 28.09296
333.4790 29.41145
333.9611 30.76097
334.4432 32.21425
334.9254 33.37402
335.4075 34.16394
335.8896 34.70453
336.3717 35.24332
336.8538 36.04834
337.3359 36.16551
337.8180 35.16632
338.3001 33.07983
338.7823 31.24426
339.2644 29.76834
339.7465 28.38022
340.2286 26.84094
340.7107 25.16830
341.1928 23.30569
341.6750 21.14998
342.1571 18.85185
342.6392 17.17271
343.1213 16.16295
343.6034 15.42473
344.0855 14.64996
344.5677 13.85550
345.0498 13.28699
345.5319 13.03615
346.0140 12.93158
346.4961 12.63663
346.9782 12.15022
347.4604 11.63419
347.9425 11.22360
348.4246 10.87350
348.9067 10.44510
349.3888 9.942184
349.8709 9.307953
350.3531 8.342346
350.8352 7.146667
351.3173 6.106873
351.7994 5.537445
352.2815 5.177368
352.7636 4.506714
353.2458 3.528259
353.7279 2.651428
354.2100 2.236862
354.6921 2.143799
355.1742 2.159744
355.6563 2.463608
356.1385 2.576767
356.6206 1.718292
357.1027 0.1195370
357.5848 1.065857
358.0669 0.7547300
358.5490 8.0825999E-02
359.0312 0.5266420
359.5133 0.3182980
359.9954 7.7698000E-02
360.4775 0.4689640
360.9596 0.8462680
361.4417 1.174255
361.9239 1.385681
362.4060 1.600143
362.8881 2.007065
363.3702 2.742706
363.8523 3.039246
364.3344 2.228455
364.8166 0.9936520
365.2987 0.1040040
365.7808 0.1369320
366.2629 0.1537780
366.7450 0.2234190
367.2271 0.9941250
367.7093 1.378876
368.1914 0.7623750
368.6735 5.9753001E-02
369.1556 0.1331480
369.6377 0.8055110
370.1198 1.506668
370.6020 1.836838
371.0841 1.879791
371.5662 1.939636
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372.5304 2.130508
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373.4947 1.987686
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374.4589 2.311157
374.9410 2.701889
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375.9052 2.793716
376.3874 2.642914
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377.8337 2.128128
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378.7979 2.241196
379.2801 2.588638
379.7622 3.168610
380.2443 3.806778
380.7264 4.551193
381.2085 5.272766
381.6906 5.513351
382.1728 5.260300
382.6549 5.082855
383.1370 5.487930
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384.1012 6.871216
384.5833 7.024017
385.0655 7.121399
385.5476 7.689972
386.0297 8.618103
386.5118 9.477386
386.9939 9.940048
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387.9582 10.79448
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389.4045 14.12952
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390.3687 17.31027
390.8509 17.59506
391.3330 17.90985
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392.7793 23.20029
393.2614 24.76604
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394.7078 30.61246
395.1899 33.03885
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396.1541 37.42613
396.6363 39.48816
397.1184 41.38277
397.6005 43.31793
398.0826 45.39554
398.5647 47.64494
399.0468 49.81642
399.5290 51.75610
400.0111 53.68028
400.4932 55.75882
400.9753 57.88608
401.4574 60.31981
401.9395 63.06465
402.4217 66.12320
402.9038 69.48146
403.3859 73.27344
403.8680 77.17053
404.3501 81.00528
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406.2786 97.38206
406.7607 101.7992
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408.2071 114.1564
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409.1713 120.8323
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411.5819 121.9712
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412.5461 116.2279
413.0282 112.0562
413.5103 106.9963
413.9925 101.6570
414.4746 95.98723
414.9567 90.25558
415.4388 84.93321
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416.4030 75.97751
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418.3315 67.00546
418.8136 65.68062
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419.7779 65.69759
420.2600 66.21875
420.7421 66.51210
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422.1884 67.39482
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423.1527 69.60390
423.6348 71.43629
424.1169 73.16391
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427.4917 83.87476
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428.4560 86.81778
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431.8308 101.7786
432.3129 104.2987
432.7950 107.1877
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433.7592 113.8949
434.2414 116.0217
434.7235 117.0670
435.2056 117.5849
435.6877 117.7499
436.1698 117.5144
436.6519 116.8998
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437.6162 114.0868
438.0983 111.3358
438.5804 107.5785
439.0625 102.5206
439.5446 95.83900
440.0268 88.76210
440.5089 82.21556
440.9910 76.07030
441.4731 70.15482
441.9552 64.14586
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444.3658 40.45212
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445.3300 33.42604
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446.2943 27.85678
446.7764 24.82785
447.2585 21.79240
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448.2227 18.15103
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449.1870 16.57710
449.6691 16.30931
450.1512 15.71059
450.6333 14.73610
451.1154 13.49184
451.5976 11.96208
452.0797 9.937866
452.5618 8.429672
453.0439 7.724823
453.5260 7.563950
454.0081 7.147888
454.4903 6.459015
454.9724 5.677261
455.4545 4.759125
455.9366 3.770203
456.4187 3.264343
456.9008 3.338074
457.3830 3.489212
457.8651 2.950760
458.3472 1.971390
458.8293 1.409866
459.3114 1.778091
459.7935 2.423965
460.2757 2.529404
460.7578 2.175949
461.2399 1.793579
461.7220 1.836716
462.2041 1.873047
462.6862 1.314514
463.1684 0.1462860
463.6505 1.171921
464.1326 0.7074890
464.6147 0.4952850
465.0968 1.475693
465.5789 1.944565
466.0611 2.136490
466.5432 1.981079
467.0253 1.526428
467.5074 1.250641
467.9895 1.140335
468.4716 1.281982
468.9538 1.756195
469.4359 2.814178
469.9180 3.627258
470.4001 4.079071
470.8822 4.371338
471.3643 4.797058
471.8465 5.359802
472.3286 6.061508
472.8107 7.022476
473.2928 8.125168
473.7749 8.661499
474.2570 8.527573
474.7392 8.346786
475.2213 8.473495
475.7034 8.922150
476.1855 9.846268
476.6676 11.32233
477.1497 13.08011
477.6319 14.95988
478.1140 16.85191
478.5961 18.36270
479.0782 19.13228
479.5603 19.55034
480.0424 19.89693
480.5246 20.21590
481.0067 20.84218
481.4888 22.24420
481.9709 23.89949
482.4530 25.32452
482.9352 26.32506
483.4173 27.33916
483.8994 28.47504
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