#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:40 +0300 (Thu, 24 May 2018) $
#$Revision: 724 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000229.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_1000229
loop_
_publ_author_name
'Burns, P. C.'
'Hawthorne, F. C.'
_publ_section_title
;
 Kaliborite: An example of a crystallographically symmetrical hydrogen
 bond
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              885
_journal_page_last               894
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        R060352
_chemical_formula_sum            'B12 H19 K Mg2 O30'
_chemical_name_mineral           Kaliborite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.02
_cell_angle_gamma                90
_cell_length_a                   18.572
_cell_length_b                   8.466
_cell_length_c                   14.689
_cell_volume                     2274.332
_exptl_crystal_density_diffrn    2.093
_cod_original_formula_sum        'K Mg2 B12 H19 O30'
_cod_database_code               9004342
_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            R060352.rod
_rod_data_source.block           3500000
_rod_database.code               1000229
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 9004342 COD http://www.crystallography.net/cod/9004342.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
130.0258 0.0000000E+00
130.5079 1.030622
130.9900 2.050560
131.4721 2.775552
131.9542 3.362345
132.4363 3.636723
132.9185 7.506655
133.4006 8.067051
133.8827 6.440569
134.3648 4.357677
134.8469 2.096237
135.3290 0.5734410
135.8112 2.483519
136.2933 1.877710
136.7754 1.411007
137.2575 4.586784
137.7396 6.479961
138.2217 7.082623
138.7039 8.669426
139.1860 11.16654
139.6681 14.76676
140.1502 20.23841
140.6323 28.09433
141.1144 35.87389
141.5966 42.91627
142.0787 49.40037
142.5608 54.00776
143.0429 56.37021
143.5250 57.06394
144.0071 57.20770
144.4893 56.39889
144.9714 55.66703
145.4535 55.62363
145.9356 57.34617
146.4177 57.53175
146.8998 55.31250
147.3820 51.42083
147.8641 48.78886
148.3462 47.11330
148.8283 46.99494
149.3104 48.86813
149.7925 55.06703
150.2747 60.18407
150.7568 62.79702
151.2389 63.25465
151.7210 65.93637
152.2031 72.70589
152.6852 80.51225
153.1674 87.55016
153.6495 92.82638
154.1316 98.22432
154.6137 103.5675
155.0958 108.8376
155.5779 115.6637
156.0601 125.1399
156.5422 135.8862
157.0243 146.5939
157.5064 159.9621
157.9885 170.5346
158.4706 175.5270
158.9528 174.0722
159.4349 173.8116
159.9170 178.2646
160.3991 184.4880
160.8812 189.0798
161.3633 189.3595
161.8455 189.1641
162.3276 190.4323
162.8097 193.7367
163.2918 196.4288
163.7739 197.6672
164.2560 197.2576
164.7382 193.6204
165.2203 186.2858
165.7024 179.4140
166.1845 175.7225
166.6666 176.6266
167.1487 176.9918
167.6309 172.4789
168.1130 165.3268
168.5951 160.3378
169.0772 161.3272
169.5593 164.4935
170.0414 166.4098
170.5236 165.7660
171.0057 165.4898
171.4878 167.9867
171.9699 172.6599
172.4520 177.6455
172.9341 182.3423
173.4163 186.6543
173.8984 190.5540
174.3805 194.3452
174.8626 197.2534
175.3447 197.8546
175.8268 196.6619
176.3090 196.0767
176.7911 197.9117
177.2732 201.3659
177.7553 205.1888
178.2374 209.1745
178.7195 213.2782
179.2017 217.4266
179.6838 221.6646
180.1659 226.0220
180.6480 230.6700
181.1301 235.4843
181.6122 240.4236
182.0944 245.8139
182.5765 251.1891
183.0586 255.6206
183.5407 259.1165
184.0228 262.7341
184.5049 267.3427
184.9871 272.4505
185.4692 276.8786
185.9513 281.4364
186.4334 284.6141
186.9155 282.3351
187.3976 274.3738
187.8798 263.5377
188.3619 252.6989
188.8440 241.7535
189.3261 230.7013
189.8082 219.3759
190.2903 207.8775
190.7725 196.1186
191.2546 183.7827
191.7367 172.1620
192.2188 162.5144
192.7009 154.7185
193.1830 148.1269
193.6652 142.6350
194.1473 138.2679
194.6294 135.2077
195.1115 133.8003
195.5936 132.1833
196.0757 127.2265
196.5579 118.7935
197.0400 111.0631
197.5221 106.2527
198.0042 104.1127
198.4863 100.3221
198.9684 94.53053
199.4506 87.89159
199.9327 82.06590
200.4148 77.05220
200.8969 72.57155
201.3790 68.54901
201.8611 65.00990
202.3433 61.62335
202.8254 58.39655
203.3075 55.29016
203.7896 52.29436
204.2717 49.40338
204.7538 46.56215
205.2360 43.36206
205.7181 39.55870
206.2002 37.77434
206.6823 38.46742
207.1644 40.61488
207.6465 42.29900
208.1287 43.27373
208.6108 44.57605
209.0929 47.33476
209.5750 52.41815
210.0571 53.92828
210.5392 50.56975
211.0214 44.83777
211.5035 42.29105
211.9856 44.22966
212.4677 45.81677
212.9498 44.58293
213.4319 39.67987
213.9140 35.63553
214.3962 32.73083
214.8783 30.53642
215.3604 28.09152
215.8425 25.22672
216.3246 22.44051
216.8067 19.73312
217.2889 16.74251
217.7710 15.31535
218.2531 16.28020
218.7352 18.40578
219.2173 18.57367
219.6994 15.80890
220.1816 12.94005
220.6637 11.09734
221.1458 10.27190
221.6279 10.62180
222.1100 12.74997
222.5921 15.81874
223.0743 17.58226
223.5564 17.32767
224.0385 17.00899
224.5206 17.56786
225.0027 19.40398
225.4848 21.11560
225.9670 22.87253
226.4491 24.42020
226.9312 25.09743
227.4133 24.77596
227.8954 23.77750
228.3775 22.23846
228.8597 20.05508
229.3418 17.48668
229.8239 14.36275
230.3060 10.88446
230.7881 7.685867
231.2702 4.704483
231.7524 2.025711
232.2345 0.2411190
232.7166 1.916321
233.1987 3.744766
233.6808 6.093185
234.1629 8.497986
234.6451 9.664688
235.1272 8.978149
235.6093 7.950867
236.0914 7.202484
236.5735 6.742401
237.0556 6.626999
237.5378 7.485535
238.0199 8.503616
238.5020 7.468750
238.9841 3.189560
239.4662 1.404114
239.9483 5.035217
240.4305 7.045105
240.9126 9.536728
241.3947 12.50490
241.8768 15.95186
242.3589 19.89668
242.8410 24.36710
243.3232 29.27368
243.8053 34.49229
244.2874 39.81862
244.7695 46.06584
245.2516 53.80563
245.7337 62.27763
246.2159 69.53807
246.6980 74.10185
247.1801 79.81308
247.6622 88.41826
248.1443 101.0947
248.6264 113.4633
249.1086 125.4866
249.5907 137.3062
250.0728 149.1859
250.5549 161.0582
251.0370 173.1039
251.5191 185.4164
252.0013 197.8348
252.4834 210.7992
252.9655 224.7454
253.4476 238.8479
253.9297 251.3405
254.4118 261.1434
254.8940 271.0976
255.3761 282.3795
255.8582 295.6188
256.3403 307.6700
256.8224 317.6064
257.3046 327.0761
257.7867 338.6753
258.2688 353.1642
258.7509 368.4650
259.2330 384.5867
259.7151 402.5349
260.1973 415.9869
260.6794 424.1178
261.1615 428.3278
261.6436 430.6730
262.1257 432.0627
262.6078 429.4649
263.0900 422.0871
263.5721 409.8551
264.0542 393.5042
264.5363 371.9763
265.0184 347.2301
265.5005 320.2487
265.9827 289.9529
266.4648 260.9120
266.9469 234.6060
267.4290 211.1827
267.9111 190.1516
268.3932 171.8373
268.8754 155.3646
269.3575 139.4675
269.8396 123.3248
270.3217 110.2658
270.8038 101.9800
271.2859 98.11548
271.7681 92.34157
272.2502 83.88448
272.7323 75.42998
273.2144 70.04095
273.6965 68.06081
274.1786 66.80527
274.6608 65.92928
275.1429 65.35378
275.6250 64.54501
276.1071 63.34134
276.5892 62.00462
277.0714 60.68669
277.5535 59.34514
278.0356 58.69090
278.5177 59.13951
278.9998 60.27859
279.4819 60.22310
279.9641 58.75005
280.4462 57.06866
280.9283 55.82207
281.4104 54.99323
281.8925 55.63184
282.3746 58.39008
282.8568 62.34540
283.3389 64.60353
283.8210 64.93007
284.3031 65.36575
284.7852 67.21368
285.2673 70.43066
285.7495 74.72473
286.2316 80.34485
286.7137 86.60661
287.1958 92.11195
287.6779 96.84189
288.1600 101.2944
288.6422 105.9076
289.1243 110.6146
289.6064 114.5609
290.0885 117.5900
290.5706 120.1572
291.0527 123.6138
291.5349 127.7772
292.0170 130.2850
292.4991 129.5335
292.9812 126.1267
293.4633 121.7224
293.9454 116.1879
294.4276 110.4248
294.9097 105.8119
295.3918 102.1049
295.8739 98.27213
296.3560 93.20374
296.8381 87.89923
297.3203 84.58261
297.8024 83.30373
298.2845 83.31642
298.7666 84.44974
299.2487 86.35580
299.7308 87.99486
300.2130 88.53963
300.6951 88.70638
301.1772 89.40430
301.6593 90.62727
302.1414 92.88615
302.6235 97.73105
303.1057 103.8925
303.5878 108.6702
304.0699 110.6178
304.5520 111.2486
305.0341 112.8243
305.5162 115.0845
305.9984 115.7997
306.4805 112.4682
306.9626 106.8124
307.4447 101.3355
307.9268 97.03455
308.4089 92.58762
308.8911 86.38813
309.3732 78.86064
309.8553 71.75902
310.3374 66.64558
310.8195 62.20679
311.3016 57.09204
311.7838 50.60203
312.2659 44.30901
312.7480 39.32960
313.2301 35.41808
313.7122 31.84512
314.1943 28.68182
314.6765 25.43877
315.1586 21.55046
315.6407 16.60446
316.1228 12.23947
316.6049 9.426994
317.0870 7.708832
317.5692 6.367844
318.0513 5.288635
318.5334 4.382477
319.0155 3.807281
319.4976 3.688110
319.9797 2.972427
320.4619 0.6015630
320.9440 2.313705
321.4261 4.498726
321.9082 5.763512
322.3903 6.178604
322.8724 5.098427
323.3546 2.479958
323.8367 1.225060
324.3188 3.240318
324.8009 6.087158
325.2830 7.879280
325.7651 7.829086
326.2473 7.355469
326.7294 6.426399
327.2115 5.120651
327.6936 4.041489
328.1757 2.896393
328.6578 2.232002
329.1400 2.341911
329.6221 4.420471
330.1042 5.648109
330.5863 5.593330
331.0684 4.665817
331.5505 4.109200
332.0327 4.596428
332.5148 4.658913
332.9969 3.527618
333.4790 0.3920520
333.9611 1.581123
334.4432 1.800629
334.9254 1.200241
335.4075 1.390244
335.8896 2.717216
336.3717 4.122192
336.8538 5.090691
337.3359 5.491768
337.8180 7.156685
338.3001 10.59206
338.7823 14.51256
339.2644 17.34245
339.7465 18.85335
340.2286 20.36212
340.7107 22.18952
341.1928 24.28975
341.6750 25.98051
342.1571 27.06902
342.6392 28.53654
343.1213 31.51747
343.6034 36.01292
344.0855 40.10220
344.5677 43.31647
345.0498 46.05835
345.5319 49.27215
346.0140 52.97449
346.4961 56.66505
346.9782 59.99820
347.4604 63.05377
347.9425 66.18431
348.4246 69.60268
348.9067 72.66600
349.3888 74.13458
349.8709 74.27242
350.3531 74.53166
350.8352 76.02470
351.3173 78.05067
351.7994 79.10517
352.2815 79.06236
352.7636 78.92441
353.2458 79.13098
353.7279 79.96276
354.2100 82.05467
354.6921 86.71564
355.1742 92.00404
355.6563 95.75257
356.1385 98.07817
356.6206 100.4019
357.1027 103.6298
357.5848 107.4160
358.0669 111.5068
358.5490 116.4426
359.0312 120.7352
359.5133 122.6914
359.9954 123.0948
360.4775 124.4060
360.9596 128.8345
361.4417 133.8965
361.9239 137.9990
362.4060 140.8256
362.8881 142.8766
363.3702 143.7142
363.8523 144.0104
364.3344 144.7961
364.8166 147.6354
365.2987 149.8877
365.7808 150.5091
366.2629 149.3802
366.7450 147.3999
367.2271 143.9257
367.7093 140.0508
368.1914 136.7369
368.6735 134.0394
369.1556 131.9247
369.6377 129.8959
370.1198 128.1397
370.6020 128.7867
371.0841 134.1963
371.5662 139.8302
372.0483 143.0824
372.5304 141.9577
373.0125 142.3721
373.4947 145.4832
373.9768 149.8252
374.4589 151.9314
374.9410 151.1688
375.4231 149.4463
375.9052 147.2324
376.3874 144.3724
376.8695 142.3167
377.3516 141.4494
377.8337 140.7093
378.3158 138.1354
378.7979 133.1941
379.2801 129.8032
379.7622 129.4752
380.2443 131.5672
380.7264 133.1379
381.2085 134.2166
381.6906 135.1304
382.1728 135.5705
382.6549 135.7089
383.1370 137.0343
383.6191 140.0797
384.1012 144.2440
384.5833 148.8376
385.0655 153.8456
385.5476 158.9043
386.0297 163.5302
386.5118 168.1849
386.9939 173.7608
387.4760 180.1781
387.9582 187.5092
388.4403 196.4264
388.9224 206.4862
389.4045 216.5488
389.8866 226.2289
390.3687 235.7054
390.8509 245.3780
391.3330 255.2275
391.8151 264.1947
392.2972 272.0054
392.7793 278.2385
393.2614 282.5754
393.7436 284.9432
394.2257 285.3781
394.7078 283.2291
395.1899 279.0443
395.6720 274.2923
396.1541 269.3488
396.6363 264.0256
397.1184 258.2741
397.6005 252.0176
398.0826 245.3382
398.5647 236.2965
399.0468 227.5157
399.5290 222.0839
400.0111 221.7720
400.4932 223.2571
400.9753 225.8149
401.4574 229.4204
401.9395 235.1787
402.4217 243.6755
402.9038 253.8139
403.3859 264.9016
403.8680 276.9867
404.3501 289.7289
404.8322 302.5019
405.3144 316.0814
405.7965 332.2252
406.2786 351.2434
406.7607 372.2458
407.2428 395.4211
407.7249 421.0806
408.2071 445.6437
408.6892 468.7225
409.1713 491.6395
409.6534 517.1230
410.1355 544.8523
410.6176 570.2632
411.0998 592.2014
411.5819 611.0469
412.0640 628.6501
412.5461 644.7164
413.0282 655.4161
413.5103 657.0213
413.9925 651.1159
414.4746 640.4594
414.9567 624.8599
415.4388 606.3966
415.9209 586.8040
416.4030 565.9550
416.8852 542.9481
417.3673 515.2832
417.8494 486.9693
418.3315 460.7035
418.8136 436.8763
419.2957 414.9631
419.7779 396.3943
420.2600 379.0676
420.7421 361.1853
421.2242 339.4875
421.7063 319.8118
422.1884 304.2469
422.6706 292.1805
423.1527 280.6619
423.6348 269.2398
424.1169 258.2164
424.5990 247.4396
425.0811 236.2525
425.5633 227.0280
426.0454 220.7492
426.5275 216.0785
427.0096 211.2680
427.4917 206.0606
427.9738 201.1454
428.4560 196.6116
428.9381 192.4420
429.4202 189.0056
429.9023 186.6676
430.3844 184.5103
430.8665 181.8456
431.3487 178.5947
431.8308 175.5909
432.3129 173.3077
432.7950 170.7470
433.2771 165.4465
433.7592 157.3919
434.2414 149.5066
434.7235 143.4783
435.2056 138.7954
435.6877 133.4428
436.1698 127.4146
436.6519 120.7533
437.1341 112.8849
437.6162 104.5244
438.0983 97.41148
438.5804 92.60302
439.0625 88.41515
439.5446 82.99200
440.0268 76.54729
440.5089 69.86615
440.9910 63.01997
441.4731 56.38242
441.9552 50.01617
442.4373 43.88065
442.9195 38.75107
443.4016 35.61075
443.8837 33.51898
444.3658 31.28519
444.8479 28.54733
445.3300 25.76603
445.8122 22.65672
446.2943 19.41006
446.7764 17.31770
447.2585 18.34980
447.7406 19.16224
448.2227 17.99874
448.7049 13.59080
449.1870 9.709404
449.6691 6.269897
450.1512 3.419891
450.6333 1.461571
451.1154 0.4445650
451.5976 0.2559970
452.0797 1.331329
452.5618 3.491051
453.0439 3.741257
453.5260 1.597977
454.0081 0.9420170
454.4903 2.503563
454.9724 3.076241
455.4545 2.513191
455.9366 0.3658370
456.4187 2.025833
456.9008 1.970764
457.3830 0.2341770
457.8651 2.236496
458.3472 2.646912
458.8293 2.224564
459.3114 2.422943
459.7935 3.244621
460.2757 4.027542
460.7578 4.406723
461.2399 4.358994
461.7220 3.822571
462.2041 2.629295
462.6862 1.197655
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