#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:36:14 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1182 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000599.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_1000599
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 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            R110094.rod
_rod_data_source.block           3500000
_rod_database.code               1000599
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
145.1185 0.0000000E+00
145.6006 6.8770997E-02
146.0827 0.6141360
146.5648 0.3652950
147.0469 3.1815000E-02
147.5291 0.3414150
148.0112 1.918091
148.4933 4.216217
148.9754 6.186600
149.4575 7.475754
149.9396 8.969589
150.4218 10.87712
150.9039 13.14557
151.3860 15.73474
151.8681 18.67001
152.3502 21.90340
152.8323 24.94978
153.3145 27.84535
153.7966 30.51578
154.2787 32.91260
154.7608 35.12198
155.2429 37.31833
155.7250 39.53123
156.2072 41.71315
156.6893 43.83435
157.1714 45.57706
157.6535 47.56290
158.1356 50.21855
158.6177 53.44479
159.0999 56.73250
159.5820 59.54340
160.0641 61.76379
160.5462 64.68526
161.0283 68.53473
161.5104 72.86853
161.9926 77.57831
162.4747 83.18590
162.9568 89.01614
163.4389 94.74313
163.9210 100.9609
164.4031 108.9879
164.8853 119.5974
165.3674 131.8531
165.8495 144.0792
166.3316 157.5291
166.8137 170.9589
167.2958 183.9298
167.7780 196.2156
168.2601 205.8308
168.7422 213.1380
169.2243 217.3495
169.7064 214.8680
170.1885 203.4233
170.6707 186.7711
171.1528 166.4074
171.6349 143.1911
172.1170 120.1576
172.5991 99.16656
173.0812 80.19339
173.5634 63.76820
174.0455 50.57031
174.5276 39.66508
175.0097 31.31765
175.4918 25.23149
175.9739 20.53802
176.4561 16.52026
176.9382 13.37954
177.4203 10.14314
177.9024 6.149368
178.3845 2.573418
178.8666 8.6220004E-02
179.3488 1.239609
179.8309 1.772514
180.3130 1.916008
180.7951 1.325180
181.2772 1.140038
181.7593 1.642082
182.2415 2.309898
182.7236 2.758614
183.2057 2.898811
183.6878 2.915283
184.1699 3.127678
184.6520 3.979042
185.1342 4.036484
185.6163 2.614944
186.0984 0.6639250
186.5805 0.6837080
187.0626 1.058586
187.5447 1.194298
188.0269 2.457703
188.5090 5.119583
188.9911 7.560715
189.4732 9.251709
189.9553 10.51707
190.4374 11.93203
190.9196 13.74004
191.4017 15.59654
191.8838 16.96371
192.3659 17.81150
192.8480 18.70094
193.3301 20.00179
193.8123 21.57735
194.2944 22.93037
194.7765 23.89050
195.2586 24.62499
195.7407 25.06514
196.2228 25.19418
196.7050 25.96931
197.1871 28.25950
197.6692 32.01032
198.1513 36.00827
198.6334 40.21926
199.1155 44.45970
199.5977 48.46082
200.0798 52.25344
200.5619 56.28442
201.0440 60.92972
201.5261 66.21298
202.0082 72.16906
202.4904 78.06392
202.9725 85.25538
203.4546 94.64632
203.9367 106.3060
204.4188 119.6953
204.9009 134.1874
205.3831 149.8110
205.8652 166.4810
206.3473 186.3354
206.8294 205.5388
207.3115 222.9501
207.7936 237.7928
208.2758 248.7610
208.7579 254.1110
209.2400 254.1517
209.7221 246.6135
210.2042 229.5179
210.6863 207.8168
211.1685 183.0061
211.6506 156.1653
212.1327 129.6907
212.6148 106.7850
213.0969 88.44439
213.5790 72.88921
214.0612 59.98616
214.5433 49.70276
215.0254 42.33407
215.5075 37.89294
215.9896 35.26418
216.4717 32.94821
216.9539 30.73235
217.4360 29.57568
217.9181 30.02886
218.4002 31.27737
218.8823 32.39200
219.3644 33.14234
219.8466 34.26175
220.3287 36.91905
220.8108 41.39722
221.2929 45.82343
221.7750 49.72699
222.2571 53.53527
222.7393 57.77699
223.2214 62.56490
223.7035 67.72954
224.1856 73.09031
224.6677 78.60853
225.1498 84.35620
225.6320 90.81625
226.1141 97.40502
226.5962 103.1111
227.0783 107.6687
227.5604 111.6483
228.0425 115.7359
228.5247 119.8215
229.0068 123.3456
229.4889 125.9461
229.9710 127.8258
230.4531 129.5182
230.9352 131.0286
231.4174 132.0554
231.8995 131.8808
232.3816 131.0473
232.8637 131.0816
233.3458 133.0830
233.8279 136.5535
234.3101 139.8307
234.7922 142.4146
235.2743 145.6090
235.7564 150.0356
236.2385 155.5132
236.7206 161.6536
237.2028 168.3239
237.6849 175.4703
238.1670 182.8410
238.6491 190.1303
239.1312 198.2934
239.6133 207.7663
240.0955 218.1951
240.5776 229.2328
241.0597 240.8338
241.5418 252.8240
242.0239 264.1506
242.5060 275.5721
242.9882 285.0741
243.4703 293.1542
243.9524 299.0865
244.4345 301.9063
244.9166 301.0722
245.3987 296.6699
245.8809 289.0091
246.3630 276.8679
246.8451 262.5170
247.3272 245.5434
247.8093 226.9443
248.2914 207.8823
248.7736 188.8518
249.2557 170.0509
249.7378 152.4287
250.2199 134.9065
250.7020 120.1854
251.1841 109.6094
251.6663 101.6660
252.1484 94.77869
252.6305 88.14544
253.1126 81.97417
253.5947 76.75787
254.0768 72.62383
254.5590 69.55121
255.0411 68.03457
255.5232 67.35873
256.0053 66.55212
256.4874 65.21862
256.9695 63.99261
257.4517 64.41051
257.9338 68.93832
258.4159 72.23360
258.8980 73.49632
259.3801 73.84587
259.8622 74.12119
260.3444 74.64886
260.8265 75.88051
261.3086 78.70054
261.7907 84.35093
262.2728 89.81730
262.7549 94.34545
263.2371 99.04398
263.7192 104.9577
264.2013 112.3814
264.6834 120.9475
265.1655 130.2045
265.6476 140.4285
266.1298 150.7212
266.6119 161.2816
267.0940 171.8355
267.5761 182.0957
268.0582 192.0497
268.5403 201.7771
269.0225 211.5793
269.5046 221.7162
269.9867 230.0595
270.4688 236.7535
270.9509 241.4863
271.4330 243.9111
271.9152 244.0111
272.3973 242.1733
272.8794 238.8308
273.3615 233.7254
273.8436 226.1869
274.3257 215.4018
274.8079 202.7025
275.2900 188.9119
275.7721 174.0941
276.2542 158.6286
276.7363 142.2302
277.2184 125.3371
277.7006 110.0328
278.1827 96.63845
278.6648 84.70381
279.1469 74.21913
279.6290 65.12144
280.1111 56.84536
280.5933 49.05400
281.0754 41.96017
281.5575 35.77760
282.0396 30.70206
282.5217 26.28886
283.0038 22.29588
283.4860 18.73560
283.9681 15.65092
284.4502 13.15292
284.9323 11.10512
285.4144 9.191879
285.8965 7.541504
286.3787 5.721481
286.8608 2.920715
287.3429 0.3783040
287.8250 2.360466
288.3071 2.110924
288.7892 0.6761860
289.2714 0.5153200
289.7535 1.500420
290.2356 2.100319
290.7177 2.043137
291.1998 1.531403
291.6819 1.125298
292.1641 1.013016
292.6462 0.8953090
293.1283 0.2230760
293.6104 0.9139710
294.0925 1.564354
294.5746 1.070030
295.0568 0.1243210
295.5389 1.268761
296.0210 2.421112
296.5031 3.106697
296.9852 2.453827
297.4673 0.9380650
297.9495 0.1387710
298.4316 4.8027001E-02
298.9137 0.7415470
299.3958 0.7467580
299.8779 9.8801002E-02
300.3600 0.8978960
300.8422 0.8257370
301.3243 0.3382420
301.8064 0.2214050
302.2885 0.8168950
302.7706 1.643127
303.2527 2.338287
303.7349 3.035004
304.2170 3.187302
304.6991 1.866241
305.1812 1.8805999E-02
305.6633 0.9789580
306.1454 0.6832580
306.6276 0.1933590
307.1097 0.5795060
307.5918 1.802383
308.0739 3.008827
308.5560 3.985619
309.0381 4.647598
309.5203 4.686768
310.0024 3.999107
310.4845 3.994148
310.9666 6.267700
311.4487 10.25387
311.9308 13.07679
312.4130 13.73253
312.8951 13.71971
313.3772 14.21592
313.8593 15.19785
314.3414 16.68826
314.8235 19.19006
315.3057 22.29713
315.7878 24.71349
316.2699 26.00276
316.7520 27.16131
317.2341 29.20679
317.7162 31.72783
318.1984 33.78379
318.6805 35.11262
319.1626 35.60914
319.6447 34.87932
320.1268 32.61087
320.6089 31.03082
321.0911 32.51595
321.5732 35.02922
322.0553 35.75661
322.5374 33.56285
323.0195 30.44250
323.5016 28.45361
323.9838 27.58303
324.4659 26.62434
324.9480 25.00887
325.4301 23.18499
325.9122 21.75272
326.3943 20.76051
326.8765 19.73612
327.3586 18.05163
327.8407 15.93453
328.3228 14.79009
328.8049 15.43243
329.2870 16.47788
329.7692 16.42440
330.2513 15.36493
330.7334 14.31705
331.2155 13.58943
331.6976 13.24953
332.1797 13.51137
332.6619 14.50414
333.1440 15.80148
333.6261 17.32300
334.1082 18.90733
334.5903 20.11225
335.0724 20.63773
335.5546 20.78799
336.0367 20.91183
336.5188 21.00997
337.0009 21.11430
337.4830 21.47538
337.9651 21.76056
338.4473 21.29436
338.9294 19.55595
339.4115 17.76389
339.8936 17.02177
340.3757 17.18930
340.8578 17.24848
341.3400 16.82302
341.8221 16.09445
342.3042 15.36292
342.7863 14.63175
343.2684 13.86488
343.7505 12.93767
344.2327 11.96415
344.7148 11.22920
345.1969 10.80664
345.6790 10.49609
346.1611 10.22941
346.6432 10.05686
347.1254 10.11349
347.6075 11.04375
348.0896 11.91378
348.5717 11.15814
349.0538 8.574089
349.5359 6.300606
350.0181 6.291512
350.5002 7.965355
350.9823 8.516701
351.4644 6.548103
351.9465 4.437302
352.4286 4.126289
352.9108 5.257988
353.3929 6.000786
353.8750 5.427040
354.3571 3.975861
354.8392 2.699837
355.3214 1.447021
355.8035 0.6351320
356.2856 0.6941760
356.7677 1.254768
357.2498 1.662521
357.7319 1.721809
358.2141 1.615112
358.6962 1.712074
359.1783 2.125092
359.6604 2.119553
360.1425 0.8022990
360.6246 0.5239410
361.1068 0.2485500
361.5889 1.642387
362.0710 3.392601
362.5531 3.480598
363.0352 1.930862
363.5173 1.148239
363.9995 2.106941
364.4816 2.788361
364.9637 1.771919
365.4458 0.3226620
365.9279 1.826653
366.4100 1.826832
366.8922 0.7623370
367.3743 3.5682999E-02
367.8564 0.1512910
368.3385 0.3151320
368.8206 0.6197810
369.3027 0.8924790
369.7849 0.8721080
370.2670 0.4998630
370.7491 3.2471001E-02
371.2312 0.1406630
371.7133 0.2171290
372.1954 0.1144490
372.6776 1.016438
373.1597 2.097763
373.6418 2.387280
374.1239 1.965042
374.6060 1.439793
375.0881 1.322178
375.5703 1.587437
376.0524 1.374371
376.5345 0.1486470
377.0166 1.194157
377.4987 0.8091010
377.9808 0.1600990
378.4630 0.3230250
378.9451 0.9683110
379.4272 2.943779
379.9093 3.724945
380.3914 2.311333
380.8735 1.332573
381.3557 1.155560
381.8378 1.207672
382.3199 0.9723360
382.8020 0.4319650
383.2841 3.9471000E-02
383.7662 0.3773880
384.2484 1.595314
384.7305 2.500713
385.2126 3.016567
385.6947 3.272968
386.1768 2.952602
386.6589 2.418262
387.1411 2.363007
387.6232 3.256222
388.1053 4.849415
388.5874 6.311905
389.0695 7.860573
389.5516 8.819401
390.0338 8.612785
390.5159 8.072918
390.9980 7.972546
391.4801 8.524662
391.9622 9.341526
392.4443 9.790810
392.9265 9.753250
393.4086 10.51416
393.8907 12.90649
394.3728 15.53371
394.8549 17.72443
395.3370 19.46474
395.8192 20.85748
396.3013 21.77404
396.7834 22.39929
397.2655 23.33303
397.7476 24.61538
398.2297 26.09969
398.7119 27.80189
399.1940 29.63270
399.6761 31.48071
400.1582 33.30940
400.6403 35.16882
401.1224 37.09680
401.6046 39.10852
402.0867 41.13983
402.5688 42.95881
403.0509 45.08390
403.5330 48.15551
404.0151 52.19036
404.4973 56.42807
404.9794 60.59838
405.4615 64.74782
405.9436 68.85690
406.4257 72.81099
406.9078 76.99856
407.3900 81.97416
407.8721 87.60459
408.3542 92.96497
408.8363 98.35153
409.3184 103.1135
409.8005 106.8067
410.2827 109.4941
410.7648 111.2712
411.2469 112.0843
411.7290 112.1934
412.2111 112.2619
412.6932 112.9550
413.1754 112.0507
413.6575 108.4989
414.1396 103.5462
414.6217 98.18579
415.1038 92.67353
415.5859 87.23582
416.0681 82.09940
416.5502 77.28938
417.0323 72.64736
417.5144 67.80100
417.9965 63.42651
418.4786 59.45447
418.9608 56.25839
419.4429 54.50073
419.9250 54.47800
420.4071 55.61161
420.8892 56.36389
421.3713 56.79496
421.8535 56.69751
422.3356 55.19056
422.8177 53.76741
423.2998 53.51882
423.7819 54.56349
424.2640 56.43309
424.7462 58.77409
425.2283 61.64181
425.7104 63.91105
426.1925 64.60899
426.6746 65.75526
427.1567 68.04363
427.6389 71.11166
428.1210 74.27682
428.6031 77.15195
429.0852 80.21046
429.5673 84.70286
430.0494 91.26382
430.5316 96.80049
431.0137 99.22097
431.4958 101.3438
431.9779 105.1164
432.4600 110.5991
432.9421 116.2365
433.4243 120.9461
433.9064 124.8722
434.3885 128.8821
434.8706 133.5781
435.3527 136.8101
435.8348 136.5488
436.3170 134.0476
436.7991 131.2093
437.2812 128.6777
437.7633 125.5602
438.2454 121.1245
438.7275 115.3777
439.2097 108.2992
439.6918 99.37017
440.1739 89.91084
440.6560 81.93012
441.1381 75.38589
441.6202 69.32620
442.1024 63.68618
442.5845 58.28832
443.0666 52.86528
443.5487 47.41855
444.0308 42.46764
444.5129 38.47932
444.9951 35.37795
445.4772 32.15834
445.9593 28.34787
446.4414 25.00087
446.9235 22.78036
447.4056 21.12143
447.8878 19.00806
448.3699 16.11284
448.8520 13.22209
449.3341 11.58804
449.8162 11.80849
450.2983 11.64847
450.7805 10.85667
451.2626 9.978882
451.7447 9.344048
452.2268 8.868748
452.7089 8.264885
453.1910 7.338932
453.6732 6.147823
454.1553 4.907940
454.6374 3.436882
455.1195 2.244495
455.6016 1.395199
456.0837 0.8243790
456.5659 0.5865970
457.0480 0.6469420
457.5301 0.7266580
458.0122 0.4300420
458.4943 0.2298660
458.9764 0.4465520
459.4586 0.1898990
459.9407 0.6886940
460.4228 0.4611280
460.9049 0.2262230
461.3870 0.9168130
461.8691 1.470921
462.3513 1.932442
462.8334 2.523312
463.3155 3.215488
463.7976 3.171734
464.2797 1.727081
464.7618 8.7935999E-02
465.2440 0.9333720
465.7261 0.8115350
466.2082 0.6098440
466.6903 0.5848010
467.1724 0.6622090
467.6545 0.6506840
468.1367 0.5631410
468.6188 0.8474240
469.1009 1.954884
469.5830 3.634731
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