#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:19 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1169 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000588.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_1000588
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 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            R060591.rod
_rod_data_source.block           3500000
_rod_database.code               1000588
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
151.8681 0.0000000E+00
152.3502 0.1156460
152.8323 0.1148610
153.3145 0.9709630
153.7966 2.207977
154.2787 3.715416
154.7608 5.427246
155.2429 7.302689
155.7250 9.382149
156.2072 11.70930
156.6893 14.03136
157.1714 16.14349
157.6535 18.30531
158.1356 20.59590
158.6177 23.05071
159.0999 25.79198
159.5820 28.94645
160.0641 32.51482
160.5462 36.04395
161.0283 39.27805
161.5104 42.39654
161.9926 45.52232
162.4747 48.68283
162.9568 51.95317
163.4389 55.36983
163.9210 58.94861
164.4031 62.78751
164.8853 66.95733
165.3674 71.77155
165.8495 77.65683
166.3316 84.97910
166.8137 93.05547
167.2958 101.5559
167.7780 110.3427
168.2601 117.8393
168.7422 123.7335
169.2243 127.6548
169.7064 128.1115
170.1885 124.9251
170.6707 118.8873
171.1528 110.2654
171.6349 99.46526
172.1170 88.00403
172.5991 76.63835
173.0812 65.31780
173.5634 55.16798
174.0455 46.73787
174.5276 39.17336
175.0097 32.21159
175.4918 25.82966
175.9739 20.16479
176.4561 15.44639
176.9382 11.77149
177.4203 8.671890
177.9024 6.256676
178.3845 4.254364
178.8666 2.625229
179.3488 1.325310
179.8309 0.2440800
180.3130 0.7581860
180.7951 1.764885
181.2772 2.443031
181.7593 2.628944
182.2415 2.638405
182.7236 2.729477
183.2057 2.953835
183.6878 3.143906
184.1699 3.041222
184.6520 2.497314
185.1342 1.906380
185.6163 1.370750
186.0984 0.7513200
186.5805 9.6869998E-02
187.0626 1.217278
187.5447 2.565468
188.0269 4.122192
188.5090 5.924255
188.9911 7.737366
189.4732 9.465866
189.9553 11.17744
190.4374 13.02127
190.9196 15.13609
191.4017 17.21976
191.8838 18.84599
192.3659 20.01431
192.8480 21.03490
193.3301 21.95240
193.8123 22.81039
194.2944 23.76685
194.7765 24.82430
195.2586 26.05174
195.7407 27.48608
196.2228 29.12516
196.7050 30.87753
197.1871 32.65427
197.6692 34.46346
198.1513 36.45180
198.6334 38.68745
199.1155 41.10854
199.5977 43.64732
200.0798 46.31027
200.5619 49.14385
201.0440 52.22346
201.5261 55.59055
202.0082 59.05856
202.4904 62.49146
202.9725 66.13036
203.4546 70.07887
203.9367 74.36960
204.4188 79.04945
204.9009 84.14085
205.3831 89.60583
205.8652 95.62314
206.3473 102.1745
206.8294 109.2108
207.3115 117.0197
207.7936 125.4712
208.2758 133.9338
208.7579 141.7173
209.2400 149.8559
209.7221 154.6965
210.2042 156.7311
210.6863 155.7039
211.1685 150.9514
211.6506 142.5614
212.1327 131.6788
212.6148 119.6776
213.0969 105.5490
213.5790 92.68494
214.0612 80.54211
214.5433 69.89042
215.0254 61.36734
215.5075 55.14925
215.9896 50.57127
216.4717 46.80659
216.9539 43.96859
217.4360 41.90860
217.9181 40.71483
218.4002 40.24445
218.8823 40.46614
219.3644 41.37776
219.8466 42.69157
220.3287 43.98245
220.8108 45.14848
221.2929 46.91451
221.7750 49.66402
222.2571 52.95995
222.7393 56.24856
223.2214 59.38950
223.7035 62.63386
224.1856 66.32059
224.6677 70.39191
225.1498 74.63188
225.6320 79.23527
226.1141 83.91520
226.5962 88.16607
227.0783 91.85036
227.5604 95.29213
228.0425 99.10375
228.5247 103.0983
229.0068 106.3389
229.4889 108.1634
229.9710 108.9814
230.4531 109.6739
230.9352 110.2865
231.4174 110.8360
231.8995 111.3965
232.3816 111.9240
232.8637 112.2688
233.3458 112.2116
233.8279 111.9013
234.3101 111.7739
234.7922 111.7113
235.2743 112.0910
235.7564 113.1125
236.2385 114.6465
236.7206 116.4723
237.2028 118.4978
237.6849 120.6964
238.1670 123.0033
238.6491 125.3071
239.1312 127.9540
239.6133 131.2730
240.0955 134.9925
240.5776 138.6603
241.0597 141.9109
241.5418 144.9069
242.0239 148.4049
242.5060 152.9420
242.9882 157.3490
243.4703 161.6017
243.9524 165.4942
244.4345 168.8616
244.9166 171.6750
245.3987 173.7239
245.8809 174.0800
246.3630 172.2003
246.8451 169.0550
247.3272 165.0226
247.8093 159.8924
248.2914 153.2605
248.7736 144.8425
249.2557 134.9908
249.7378 125.2108
250.2199 115.0096
250.7020 105.5252
251.1841 96.96263
251.6663 89.19633
252.1484 82.08649
252.6305 75.51689
253.1126 69.65839
253.5947 64.90972
254.0768 62.02390
254.5590 59.55057
255.0411 57.22184
255.5232 55.31127
256.0053 54.21457
256.4874 54.10119
256.9695 54.64330
257.4517 55.04944
257.9338 54.97079
258.4159 55.18484
258.8980 55.74911
259.3801 56.58452
259.8622 57.60855
260.3444 58.79250
260.8265 60.17028
261.3086 61.81562
261.7907 64.03492
262.2728 66.06108
262.7549 67.42796
263.2371 68.82715
263.7192 70.93449
264.2013 73.93372
264.6834 77.55219
265.1655 81.42530
265.6476 85.62295
266.1298 89.93696
266.6119 94.46644
267.0940 99.07525
267.5761 103.5759
268.0582 107.9591
268.5403 112.3998
269.0225 117.1966
269.5046 122.5246
269.9867 127.2517
270.4688 131.1899
270.9509 134.6046
271.4330 137.6868
271.9152 140.4622
272.3973 142.9754
272.8794 145.4328
273.3615 147.7868
273.8436 148.7372
274.3257 148.2907
274.8079 146.4219
275.2900 143.0079
275.7721 138.0609
276.2542 131.9204
276.7363 124.6603
277.2184 116.2616
277.7006 107.3086
278.1827 97.26756
278.6648 87.16008
279.1469 77.52553
279.6290 68.42809
280.1111 60.07500
280.5933 52.61229
281.0754 46.09986
281.5575 40.21600
282.0396 35.02837
282.5217 30.38199
283.0038 26.20730
283.4860 22.49824
283.9681 19.17995
284.4502 16.24203
284.9323 13.69888
285.4144 11.48449
285.8965 9.638428
286.3787 7.994766
286.8608 6.411343
287.3429 4.947079
287.8250 3.814095
288.3071 3.152699
288.7892 2.774612
289.2714 2.388329
289.7535 1.983051
290.2356 1.647415
290.7177 1.432083
291.1998 1.317368
291.6819 1.260948
292.1641 1.279896
292.6462 1.303211
293.1283 1.248104
293.6104 1.124451
294.0925 0.9855610
294.5746 0.8570250
295.0568 0.7278100
295.5389 0.5660060
296.0210 0.3554230
296.5031 0.1605030
296.9852 4.9507000E-02
297.4673 9.4599999E-04
297.9495 5.0732002E-02
298.4316 8.8638000E-02
298.9137 0.1436040
299.3958 0.2323110
299.8779 0.3447380
300.3600 0.5457840
300.8422 1.081451
301.3243 1.731342
301.8064 2.062981
302.2885 1.784115
302.7706 1.301224
303.2527 1.104691
303.7349 1.211620
304.2170 1.298519
304.6991 1.234283
305.1812 1.065666
305.6633 0.8584400
306.1454 0.6216960
306.6276 0.3019290
307.1097 0.1335260
307.5918 0.6618730
308.0739 1.232197
308.5560 1.841385
309.0381 2.514072
309.5203 3.271515
310.0024 4.107040
310.4845 4.905037
310.9666 5.532417
311.4487 6.079208
311.9308 6.898098
312.4130 8.134743
312.8951 9.533131
313.3772 10.85106
313.8593 12.10253
314.3414 13.35320
314.8235 14.60891
315.3057 15.88643
315.7878 17.27220
316.2699 18.81566
316.7520 20.35521
317.2341 21.83961
317.7162 23.23956
318.1984 24.45955
318.6805 25.40946
319.1626 26.15971
319.6447 26.84799
320.1268 27.49255
320.6089 28.00336
321.0911 28.29456
321.5732 28.42868
322.0553 28.46444
322.5374 28.37892
323.0195 28.22581
323.5016 28.08169
323.9838 27.94681
324.4659 27.74742
324.9480 27.29689
325.4301 26.89596
325.9122 26.95815
326.3943 27.58498
326.8765 28.23764
327.3586 28.47237
327.8407 28.37072
328.3228 28.39123
328.8049 28.67513
329.2870 29.06869
329.7692 29.34342
330.2513 29.51925
330.7334 29.89229
331.2155 30.62913
331.6976 31.66260
332.1797 32.88705
332.6619 34.36015
333.1440 35.83118
333.6261 37.13260
334.1082 38.28038
334.5903 39.27441
335.0724 40.09148
335.5546 40.75842
336.0367 41.40011
336.5188 42.05093
337.0009 42.30186
337.4830 41.94419
337.9651 40.97269
338.4473 39.37725
338.9294 36.89139
339.4115 34.19908
339.8936 31.82391
340.3757 29.72637
340.8578 27.67932
341.3400 25.52962
341.8221 23.45879
342.3042 21.70255
342.7863 20.26572
343.2684 19.01881
343.7505 17.92960
344.2327 16.98084
344.7148 16.14127
345.1969 15.41607
345.6790 14.76699
346.1611 14.20121
346.6432 13.70226
347.1254 13.12744
347.6075 12.43125
348.0896 11.64465
348.5717 10.79204
349.0538 9.868069
349.5359 8.957600
350.0181 8.106373
350.5002 7.319750
350.9823 6.594837
351.4644 5.995256
351.9465 5.408009
352.4286 4.711952
352.9108 3.944096
353.3929 3.267939
353.8750 2.778355
354.3571 2.422377
354.8392 2.067776
355.3214 1.726522
355.8035 1.363340
356.2856 0.9153580
356.7677 0.4475560
357.2498 5.6561001E-02
357.7319 0.2403490
358.2141 0.4031560
358.6962 0.3207230
359.1783 6.7556001E-02
359.6604 0.2709870
360.1425 0.1769160
360.6246 5.6887001E-02
361.1068 0.3484900
361.5889 0.6836010
362.0710 0.9618070
362.5531 1.077168
363.0352 1.030821
363.5173 1.069592
363.9995 1.357534
364.4816 1.561026
364.9637 1.439379
365.4458 1.105936
365.9279 0.8682250
366.4100 0.9064410
366.8922 1.100218
367.3743 1.045708
367.8564 0.4497550
368.3385 3.7094001E-02
368.8206 2.4909999E-02
369.3027 0.1901050
369.7849 0.2922710
370.2670 0.2610130
370.7491 0.1516110
371.2312 3.8118001E-02
371.7133 7.1549997E-02
372.1954 0.2156260
372.6776 0.4174840
373.1597 0.6310160
373.6418 0.8663440
374.1239 1.097242
374.6060 1.237375
375.0881 1.197208
375.5703 0.9871180
376.0524 0.9514060
376.5345 1.251240
377.0166 1.535606
377.4987 1.761669
377.9808 1.914791
378.4630 1.928242
378.9451 1.769077
379.4272 1.587317
379.9093 1.760286
380.3914 2.609800
380.8735 3.288033
381.3557 3.761484
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383.2841 4.110821
383.7662 4.283367
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385.2126 5.588251
385.6947 6.077564
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388.5874 8.955984
389.0695 9.202026
389.5516 9.800385
390.0338 11.08224
390.5159 12.60107
390.9980 13.93348
391.4801 14.96640
391.9622 15.92427
392.4443 17.09647
392.9265 18.50211
393.4086 19.92089
393.8907 21.38173
394.3728 22.79055
394.8549 24.03374
395.3370 25.15930
395.8192 26.34177
396.3013 27.76814
396.7834 29.33751
397.2655 30.66675
397.7476 31.64314
398.2297 32.66678
398.7119 33.93452
399.1940 35.38056
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400.1582 38.66434
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401.1224 42.07605
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402.5688 47.89312
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403.5330 52.78646
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404.4973 56.89233
404.9794 59.26641
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405.9436 64.87220
406.4257 68.20828
406.9078 71.56948
407.3900 74.69207
407.8721 77.56074
408.3542 80.27369
408.8363 83.15774
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409.8005 87.41306
410.2827 88.47619
410.7648 88.74907
411.2469 88.17019
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412.2111 84.90037
412.6932 82.36151
413.1754 79.34597
413.6575 75.65459
414.1396 71.61488
414.6217 67.39954
415.1038 63.09538
415.5859 58.94149
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416.5502 51.77246
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417.9965 44.35005
418.4786 42.57758
418.9608 41.12066
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420.8892 38.60291
421.3713 37.30644
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422.3356 35.78209
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423.7819 35.18357
424.2640 35.04574
424.7462 34.80113
425.2283 34.45697
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426.1925 33.76383
426.6746 33.56944
427.1567 33.73238
427.6389 34.14900
428.1210 34.69115
428.6031 35.32187
429.0852 35.95834
429.5673 36.38610
430.0494 36.51323
430.5316 36.77501
431.0137 37.32771
431.4958 38.01334
431.9779 38.74326
432.4600 39.50705
432.9421 40.32907
433.4243 41.33475
433.9064 42.44053
434.3885 43.26242
434.8706 43.72886
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436.3170 44.68519
436.7991 44.54165
437.2812 43.84447
437.7633 42.77682
438.2454 41.45219
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439.2097 38.14312
439.6918 36.28757
440.1739 34.31160
440.6560 32.15973
441.1381 29.79563
441.6202 27.59174
442.1024 25.78337
442.5845 24.12213
443.0666 22.28582
443.5487 20.26000
444.0308 18.35173
444.5129 16.79786
444.9951 15.57850
445.4772 14.39749
445.9593 13.22561
446.4414 12.15014
446.9235 11.17766
447.4056 10.28194
447.8878 9.444202
448.3699 8.660818
448.8520 7.998867
449.3341 7.579475
449.8162 7.570543
450.2983 7.321249
450.7805 6.749224
451.2626 6.054104
451.7447 5.188196
452.2268 4.278688
452.7089 3.617250
453.1910 3.435738
453.6732 3.585657
454.1553 3.428181
454.6374 2.733950
455.1195 2.114622
455.6016 1.625202
456.0837 1.267311
456.5659 1.077005
457.0480 1.046017
457.5301 1.079830
458.0122 1.118580
458.4943 1.160189
458.9764 1.070574
459.4586 0.7466550
459.9407 0.4390750
460.4228 0.3095070
460.9049 0.2791310
461.3870 0.2058240
461.8691 2.6946999E-02
462.3513 0.1927850
462.8334 0.3962420
463.3155 0.5817870
463.7976 0.7079980
464.2797 0.7836110
464.7618 0.7628270
465.2440 0.5313110
465.7261 8.1078000E-02
466.2082 0.2380940
466.6903 0.2233730
467.1724 6.1964002E-02
467.6545 4.2397000E-02
468.1367 7.0992999E-02
468.6188 4.1267000E-02
469.1009 4.4822998E-02
469.5830 0.1777230
470.0651 0.3114910
470.5472 0.4487740
471.0294 0.5821910
471.5115 0.6661760
471.9936 0.7628670
472.4757 1.007936
472.9578 1.418005
473.4399 1.786610
473.9221 1.838432
474.4042 1.483007
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