#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:20:49 +0300 (Thu, 24 May 2018) $
#$Revision: 660 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100017.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100017
loop_
_publ_author_name
'Corazza, E.'
_publ_section_title
;
 Inderite: Crystal structure refinement and relationship to kurnakovite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1329
_journal_page_last               1333
_journal_paper_doi               10.1107/S0567740876005293
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        R050195
_chemical_formula_sum            'B3 H15 Mg O13'
_chemical_name_mineral           Inderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.552
_cell_angle_gamma                90
_cell_length_a                   6.8221
_cell_length_b                   13.1145
_cell_length_c                   12.0350
_cell_volume                     1042.210
_exptl_crystal_density_diffrn    1.784
_cod_original_formula_sum        'Mg O13 B3 H15'
_cod_database_code               9007612
_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            R050195.rod
_rod_data_source.block           3500000
_rod_database.code               2100017
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 9007612 COD http://www.crystallography.net/cod/9007612.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
134.7553 0.0000000E+00
135.2374 5.9875000E-02
135.7195 2.236877
136.2016 5.143372
136.6838 7.857086
137.1659 10.21173
137.6480 12.96283
138.1301 16.16098
138.6122 19.36850
139.0943 22.04913
139.5765 24.28378
140.0586 25.92044
140.5407 26.51993
141.0228 25.54471
141.5049 24.18430
141.9870 22.46387
142.4692 20.32275
142.9513 17.60687
143.4334 14.07635
143.9155 10.35400
144.3976 6.440308
144.8797 1.433319
145.3619 1.497833
145.8440 1.908234
146.3261 8.1603996E-02
146.8082 2.825226
147.2903 7.049683
147.7724 12.05298
148.2546 17.64542
148.7367 24.74826
149.2188 31.04263
149.7009 36.53696
150.1830 41.21689
150.6651 44.14554
151.1473 44.78790
151.6294 44.04184
152.1115 42.55673
152.5936 39.50827
153.0757 36.73511
153.5578 34.25174
154.0400 32.04300
154.5221 30.89920
155.0042 31.40079
155.4863 32.60626
155.9684 33.70325
156.4505 34.28961
156.9327 35.01927
157.4148 35.93967
157.8969 37.01460
158.3790 38.61871
158.8611 40.63551
159.3432 43.26764
159.8254 46.73943
160.3075 50.78929
160.7896 55.94557
161.2717 62.75377
161.7538 71.56407
162.2359 80.24786
162.7181 87.52679
163.2002 94.36993
163.6823 102.1230
164.1644 111.6276
164.6465 121.9251
165.1286 132.7455
165.6108 144.3463
166.0929 155.4151
166.5750 165.7110
167.0571 175.0939
167.5392 183.3066
168.0213 191.6718
168.5035 198.0333
168.9856 200.6615
169.4677 198.9497
169.9498 194.8522
170.4319 189.6108
170.9140 183.3594
171.3962 175.6783
171.8783 163.9538
172.3604 150.7574
172.8425 138.5902
173.3246 127.6931
173.8067 117.4832
174.2889 107.5161
174.7710 97.92859
175.2531 89.15312
175.7352 81.47365
176.2173 75.04660
176.6994 69.85814
177.1816 66.10709
177.6637 63.47298
178.1458 61.08501
178.6279 59.05202
179.1100 57.99106
179.5921 58.49623
180.0743 60.12331
180.5564 61.84625
181.0385 63.25174
181.5206 64.88585
182.0027 67.82700
182.4848 71.96800
182.9670 76.30168
183.4491 80.47229
183.9312 84.37613
184.4133 87.55820
184.8954 89.92429
185.3775 91.55566
185.8596 92.29953
186.3418 92.16179
186.8239 91.90298
187.3060 92.02495
187.7881 92.51215
188.2702 93.35391
188.7523 94.67200
189.2345 96.28242
189.7166 97.76663
190.1987 99.13815
190.6808 100.3874
191.1629 101.5653
191.6451 102.6548
192.1272 103.5222
192.6093 104.6958
193.0914 105.5867
193.5735 105.5560
194.0556 104.5959
194.5378 102.7092
195.0199 99.75717
195.5020 95.77402
195.9841 91.36758
196.4662 86.59995
196.9483 81.55656
197.4305 76.55714
197.9126 71.58427
198.3947 66.74141
198.8768 62.36905
199.3589 58.46068
199.8410 54.49046
200.3232 50.35674
200.8053 46.07460
201.2874 41.56567
201.7695 36.84261
202.2516 31.94240
202.7337 26.66634
203.2159 20.92352
203.6980 15.80859
204.1801 11.66037
204.6622 8.407898
205.1443 5.752319
205.6264 3.836533
206.1086 2.180786
206.5907 0.1114040
207.0728 2.550842
207.5549 4.524109
208.0370 5.331100
208.5191 5.049164
209.0013 5.000000
209.4834 5.253738
209.9655 5.609650
210.4476 5.916748
210.9297 6.235077
211.4118 6.243622
211.8940 5.814758
212.3761 4.958054
212.8582 4.095200
213.3403 3.215149
213.8224 2.358276
214.3045 1.585297
214.7867 0.9553070
215.2688 0.1991270
215.7509 0.8334350
216.2330 2.133987
216.7151 3.039627
217.1972 3.307022
217.6794 3.511353
218.1615 4.422668
218.6436 6.566116
219.1257 8.013992
219.6078 8.057587
220.0899 6.684357
220.5721 6.163956
221.0542 6.899826
221.5363 7.994370
222.0184 8.399925
222.5005 7.565468
222.9826 7.356689
223.4648 8.388229
223.9469 10.69215
224.4290 12.40601
224.9111 13.40263
225.3932 13.97632
225.8753 14.34135
226.3575 14.22950
226.8396 14.50680
227.3217 15.49483
227.8038 17.21622
228.2859 18.44690
228.7680 18.86415
229.2502 19.15012
229.7323 20.00763
230.2144 21.84581
230.6965 23.45776
231.1786 24.70683
231.6607 25.59534
232.1429 25.78169
232.6250 24.70345
233.1071 23.55415
233.5892 23.54991
234.0713 25.53635
234.5534 26.94157
235.0356 27.06395
235.5177 25.96471
235.9998 25.58846
236.4819 26.25298
236.9640 27.28566
237.4461 28.12555
237.9283 28.65733
238.4104 29.21877
238.8925 29.84705
239.3746 30.54433
239.8567 31.30521
240.3388 32.17604
240.8210 33.06113
241.3031 33.89630
241.7852 34.70605
242.2673 35.40440
242.7494 35.91649
243.2315 36.27109
243.7137 36.75766
244.1958 37.31654
244.6779 38.08307
245.1600 39.20673
245.6421 40.96744
246.1242 42.51219
246.6064 43.77049
247.0885 44.74516
247.5706 45.44575
248.0527 45.83584
248.5348 45.99590
249.0169 45.98354
249.4990 45.84987
249.9812 45.44034
250.4633 44.74847
250.9454 43.77267
251.4275 42.38704
251.9096 40.11783
252.3917 38.14691
252.8739 37.31097
253.3560 38.29112
253.8381 38.72018
254.3202 38.33086
254.8023 37.30066
255.2844 36.24919
255.7666 35.07597
256.2487 34.04600
256.7308 33.35503
257.2129 33.18405
257.6950 32.82942
258.1772 32.18208
258.6593 31.36550
259.1414 30.72562
259.6235 30.38925
260.1056 29.96172
260.5877 29.21273
261.0699 27.98118
261.5520 26.93761
262.0341 26.11147
262.5162 25.45190
262.9983 24.87873
263.4804 24.47261
263.9626 23.96975
264.4447 23.19615
264.9268 22.02724
265.4089 20.82363
265.8910 19.63866
266.3731 18.57899
266.8553 17.73369
267.3374 17.17758
267.8195 16.55513
268.3016 15.71693
268.7837 14.63728
269.2658 13.54862
269.7480 12.30493
270.2301 11.34258
270.7122 11.48012
271.1943 13.11769
271.6764 14.34991
272.1585 14.29521
272.6407 12.94298
273.1228 12.46608
273.6049 13.12706
274.0870 14.19698
274.5691 14.77956
275.0512 14.72758
275.5334 14.72493
276.0155 14.94965
276.4976 15.42329
276.9797 16.19225
277.4618 17.31126
277.9439 18.37337
278.4260 18.90273
278.9081 18.83630
279.3903 19.03618
279.8724 19.66171
280.3545 20.62074
280.8366 21.74214
281.3187 23.13626
281.8008 24.38977
282.2830 25.01587
282.7651 24.99316
283.2472 25.08594
283.7293 25.45172
284.2114 26.02518
284.6935 26.64601
285.1757 27.33414
285.6578 27.99208
286.1399 28.38585
286.6220 28.55714
287.1041 29.22360
287.5862 30.58511
288.0684 32.33572
288.5505 33.73570
289.0326 34.78716
289.5147 36.00760
289.9968 37.75618
290.4789 39.97269
290.9611 42.23137
291.4432 44.46533
291.9253 46.89304
292.4074 49.91389
292.8895 53.49770
293.3716 57.07370
293.8538 60.38953
294.3359 63.50351
294.8180 66.51382
295.3001 69.34209
295.7822 72.32478
296.2643 76.02670
296.7465 80.29333
297.2286 84.46683
297.7107 88.38901
298.1928 92.04439
298.6749 95.43452
299.1570 98.59857
299.6392 101.2109
300.1213 103.0655
300.6034 104.1012
301.0855 104.0481
301.5676 102.5479
302.0497 100.0786
302.5319 97.16776
303.0140 93.81305
303.4961 90.36865
303.9782 87.17000
304.4603 84.05383
304.9424 80.53279
305.4246 76.03496
305.9067 71.64008
306.3888 68.98097
306.8709 67.70232
307.3530 66.01772
307.8351 61.63902
308.3173 56.65154
308.7994 53.82753
309.2815 54.63083
309.7636 55.76466
310.2457 54.28041
310.7278 50.98631
311.2100 48.09132
311.6921 46.82397
312.1742 46.44867
312.6563 46.50755
313.1384 47.08250
313.6205 47.50864
314.1027 47.24478
314.5848 46.59221
315.0669 46.07414
315.5490 46.48842
316.0311 46.67247
316.5132 45.75946
316.9954 43.57828
317.4775 41.37329
317.9596 39.66626
318.4417 38.22842
318.9238 36.78464
319.4059 35.46008
319.8881 33.91570
320.3702 31.82434
320.8523 29.20792
321.3344 26.95670
321.8165 25.39955
322.2986 24.26579
322.7808 23.34988
323.2629 22.40971
323.7450 21.90392
324.2271 22.22992
324.7092 23.19063
325.1913 23.79379
325.6735 23.60909
326.1556 23.24190
326.6377 22.99022
327.1198 22.87848
327.6019 22.88986
328.0840 23.42084
328.5662 24.09555
329.0483 23.96922
329.5304 22.43793
330.0125 20.67216
330.4946 19.10776
330.9767 18.06639
331.4589 16.31992
331.9410 13.54161
332.4231 10.19632
332.9052 6.860733
333.3873 3.080170
333.8694 3.9749000E-02
334.3516 2.083435
334.8337 2.988220
335.3158 3.979019
335.7979 5.336853
336.2800 6.453125
336.7621 6.666351
337.2443 5.634003
337.7264 4.626038
338.2085 3.860092
338.6906 3.289215
339.1727 2.588181
339.6548 1.732910
340.1370 0.7948910
340.6191 7.5911999E-02
341.1012 0.7670140
341.5833 2.217224
342.0654 4.771667
342.5475 7.832184
343.0297 9.964523
343.5118 11.06068
343.9939 11.90291
344.4760 12.81874
344.9581 13.79567
345.4402 14.96300
345.9224 16.40924
346.4045 17.73639
346.8866 18.35617
347.3687 18.30205
347.8508 17.90167
348.3329 17.19330
348.8151 16.24918
349.2972 15.20848
349.7793 14.06787
350.2614 13.00220
350.7435 12.15880
351.2256 11.53288
351.7078 11.12575
352.1899 11.04976
352.6720 11.07060
353.1541 10.77666
353.6362 10.23047
354.1183 9.821472
354.6005 9.990311
355.0826 10.40456
355.5647 10.62962
356.0468 10.61090
356.5289 10.31386
357.0110 9.354843
357.4932 8.070694
357.9753 7.251251
358.4574 7.973373
358.9395 8.884094
359.4216 8.695114
359.9037 7.179245
360.3859 5.816803
360.8680 5.942688
361.3501 6.558228
361.8322 6.448807
362.3143 4.233124
362.7964 2.085022
363.2786 1.117416
363.7607 1.232941
364.2428 1.187668
364.7249 0.3088840
365.2070 0.7195890
365.6891 1.430557
366.1713 1.637802
366.6534 1.649734
367.1355 1.474670
367.6176 1.138168
368.0997 0.7123410
368.5818 1.0635000E-02
369.0640 0.6406100
369.5461 0.9979400
370.0282 0.8822170
370.5103 0.9841770
370.9924 1.430176
371.4745 2.043350
371.9567 2.567200
372.4388 2.686386
372.9209 3.190887
373.4030 4.420639
373.8851 6.406876
374.3672 7.872269
374.8494 8.588272
375.3315 9.109131
375.8136 9.885651
376.2957 11.01039
376.7778 12.05247
377.2599 12.80424
377.7421 13.49693
378.2242 15.01932
378.7063 17.55110
379.1884 20.11266
379.6705 22.11269
380.1526 23.56332
380.6348 25.00432
381.1169 26.56438
381.5990 27.83598
382.0811 27.94803
382.5632 26.98491
383.0453 26.31897
383.5275 26.61673
384.0096 27.60233
384.4917 28.48517
384.9738 29.26364
385.4559 30.09644
385.9380 31.30501
386.4202 32.69208
386.9023 33.71895
387.3844 34.10378
387.8665 34.31917
388.3486 35.10544
388.8307 36.28943
389.3129 37.17703
389.7950 36.78255
390.2771 36.14058
390.7592 36.58360
391.2413 38.51659
391.7234 40.35117
392.2056 40.71620
392.6877 40.26367
393.1698 39.98210
393.6519 40.77550
394.1340 41.37990
394.6161 41.06630
395.0983 39.89029
395.5804 38.65880
396.0625 37.56812
396.5446 36.56377
397.0267 35.61473
397.5089 34.72037
397.9910 33.87875
398.4731 33.20558
398.9552 32.57730
399.4373 31.66595
399.9194 29.97121
400.4016 28.39973
400.8837 27.34261
401.3658 26.96567
401.8479 26.73315
402.3300 26.36205
402.8121 26.21494
403.2942 26.79984
403.7763 28.48055
404.2585 30.17624
404.7406 31.59494
405.2227 32.78664
405.7048 34.18636
406.1869 35.71846
406.6690 37.66177
407.1512 40.38057
407.6333 43.99265
408.1154 47.19913
408.5975 49.76860
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409.5617 54.96118
410.0439 58.45940
410.5260 61.91208
411.0081 64.60710
411.4902 66.90523
411.9723 70.65408
412.4544 76.00444
412.9366 81.79434
413.4187 86.99808
413.9008 91.82704
414.3829 96.78409
414.8650 102.0094
415.3471 107.5152
415.8293 113.4058
416.3114 119.6354
416.7935 125.7403
417.2756 131.2029
417.7577 136.5351
418.2398 142.2639
418.7220 148.6411
419.2041 154.8971
419.6862 160.9332
420.1683 166.5841
420.6504 171.4357
421.1325 175.4663
421.6147 178.7034
422.0968 181.3927
422.5789 183.5216
423.0610 184.1402
423.5431 182.2804
424.0252 179.3146
424.5074 176.1077
424.9895 173.7705
425.4716 169.9906
425.9537 163.8251
426.4358 156.1334
426.9179 148.7757
427.4001 141.6441
427.8822 134.8525
428.3643 128.3775
428.8464 122.1748
429.3285 116.6127
429.8106 111.7924
430.2928 107.4987
430.7749 103.4059
431.2570 99.41989
431.7391 96.18390
432.2212 93.95038
432.7033 92.46002
433.1855 90.84756
433.6676 89.06493
434.1497 87.57828
434.6318 86.53571
435.1139 85.98555
435.5960 86.27863
436.0782 87.48114
436.5603 89.29692
437.0424 91.48962
437.5245 94.00909
438.0066 96.64349
438.4887 99.08170
438.9709 101.7754
439.4530 105.8643
439.9351 111.0952
440.4172 115.5685
440.8993 117.9241
441.3814 118.9799
441.8636 119.6560
442.3457 120.2822
442.8278 120.0494
443.3099 118.7475
443.7920 116.2400
444.2741 112.2666
444.7563 106.1146
445.2384 99.11032
445.7205 91.41745
446.2026 83.06168
446.6847 75.17754
447.1668 68.06439
447.6490 61.52148
448.1311 55.42680
448.6132 49.94542
449.0953 44.74545
449.5774 39.82550
450.0595 35.21681
450.5417 31.02045
451.0238 27.30280
451.5059 23.96550
451.9880 21.03627
452.4701 18.50713
452.9522 16.05426
453.4344 13.58237
453.9165 11.31549
454.3986 9.501556
454.8807 8.154755
455.3628 6.760056
455.8449 5.147964
456.3271 3.544983
456.8092 2.560562
457.2913 2.129501
457.7734 1.515381
458.2555 4.5867998E-02
458.7376 2.011139
459.2198 3.191589
459.7019 3.518234
460.1840 3.471497
460.6661 3.415314
461.1482 3.274902
461.6303 2.910568
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