#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:01 +0300 (Thu, 26 Apr 2018) $
#$Revision: 450 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100000.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_2100000
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 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            R050195.rod
_rod_data_source.block           3500000
_rod_database.code               2100000
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
134.9100 0.0000000E+00
135.3921 1.880096
135.8742 0.3641660
136.3563 0.1195070
136.8384 1.746582
137.3205 4.049957
137.8027 6.643005
138.2848 9.792786
138.7669 14.12579
139.2490 19.20526
139.7311 23.38724
140.2132 25.78726
140.6954 27.36746
141.1775 29.42746
141.6596 32.10587
142.1417 34.30319
142.6238 34.67520
143.1059 32.89404
143.5881 31.41174
144.0702 30.68375
144.5523 30.64609
145.0344 31.32132
145.5165 32.70822
145.9986 34.77200
146.4807 37.44391
146.9629 40.64908
147.4450 44.71567
147.9271 50.92776
148.4092 57.36487
148.8913 62.22809
149.3734 64.66898
149.8556 64.95673
150.3377 64.16174
150.8198 61.33710
151.3019 58.29263
151.7840 54.58469
152.2661 50.92960
152.7483 48.36526
153.2304 47.52014
153.7125 48.24707
154.1946 49.19098
154.6767 49.83612
155.1588 51.01859
155.6410 53.13281
156.1231 56.09235
156.6052 59.55487
157.0873 63.30545
157.5694 67.38852
158.0515 71.74048
158.5337 75.39700
159.0158 79.94318
159.4979 86.78885
159.9800 96.05643
160.4621 106.5211
160.9442 117.5150
161.4264 129.0143
161.9085 140.8715
162.3906 153.1109
162.8727 165.6684
163.3548 178.5746
163.8369 191.8441
164.3191 205.4748
164.8012 220.1325
165.2833 235.2335
165.7654 249.0979
166.2475 261.3845
166.7296 271.8323
167.2118 279.6924
167.6939 285.4544
168.1760 287.5099
168.6581 285.8525
169.1402 281.2783
169.6223 273.2253
170.1045 260.9191
170.5866 244.0493
171.0687 226.6016
171.5508 207.7178
172.0329 189.5603
172.5150 172.4169
172.9972 156.5806
173.4793 142.0711
173.9614 128.7639
174.4435 116.8328
174.9256 105.9591
175.4077 95.85703
175.8899 86.81403
176.3720 79.14520
176.8541 72.89641
177.3362 67.77493
177.8183 63.43636
178.3004 59.96344
178.7826 57.23895
179.2647 54.91745
179.7468 53.43604
180.2289 53.43784
180.7110 55.03996
181.1931 57.37428
181.6752 59.18332
182.1574 60.39496
182.6395 61.26366
183.1216 61.77562
183.6037 62.01718
184.0858 62.20239
184.5679 62.49478
185.0501 62.40596
185.5322 60.82031
186.0143 57.67908
186.4964 54.54993
186.9785 51.87459
187.4606 49.61786
187.9428 47.66043
188.4249 45.98111
188.9070 44.61360
189.3891 43.65686
189.8712 43.14429
190.3533 42.52115
190.8355 41.33752
191.3176 39.66153
191.7997 38.14857
192.2818 37.09949
192.7639 36.56912
193.2460 35.91919
193.7282 35.14909
194.2103 33.95605
194.6924 31.81227
195.1745 28.56720
195.6566 25.55493
196.1387 22.83379
196.6209 20.59280
197.1030 19.19157
197.5851 18.62752
198.0672 18.29599
198.5493 17.44646
199.0314 15.97107
199.5136 14.30058
199.9957 12.52705
200.4778 10.56444
200.9599 8.303741
201.4420 5.727264
201.9241 2.979523
202.4063 0.1617580
202.8884 3.259369
203.3705 5.642868
203.8526 6.487457
204.3347 6.752075
204.8168 7.239944
205.2990 8.162384
205.7811 9.103180
206.2632 9.240982
206.7453 7.649948
207.2274 6.533859
207.7095 6.206879
208.1917 6.161423
208.6738 5.940338
209.1559 5.391800
209.6380 4.666809
210.1201 4.056854
210.6022 3.739716
211.0844 3.264297
211.5665 2.758377
212.0486 2.035461
212.5307 0.8098300
213.0128 1.034195
213.4949 3.242569
213.9771 5.339935
214.4592 7.339966
214.9413 9.197098
215.4234 10.86562
215.9055 12.40051
216.3876 13.97470
216.8698 15.71709
217.3519 17.30640
217.8340 17.95224
218.3161 17.46152
218.7982 17.15178
219.2803 17.36098
219.7625 18.05957
220.2446 19.32376
220.7267 21.43100
221.2088 23.66364
221.6909 24.84535
222.1730 24.86533
222.6552 24.98598
223.1373 25.91167
223.6194 27.45546
224.1015 28.95651
224.5836 30.21014
225.0657 31.40990
225.5479 32.77501
226.0300 34.30821
226.5121 35.85692
226.9942 37.28781
227.4763 38.62132
227.9584 40.09358
228.4406 41.95506
228.9227 43.74615
229.4048 45.25562
229.8869 46.46036
230.3690 47.13702
230.8511 46.86554
231.3333 45.67586
231.8154 44.75844
232.2975 44.49370
232.7796 44.35397
233.2617 43.98331
233.7438 43.40620
234.2260 42.89404
234.7081 42.58318
235.1902 42.45195
235.6723 42.85168
236.1544 44.44441
236.6365 46.07248
237.1187 47.16980
237.6008 47.78346
238.0829 48.30608
238.5650 49.12602
239.0471 50.29694
239.5292 51.35886
240.0114 52.21887
240.4935 53.04071
240.9756 53.89980
241.4577 54.78551
241.9398 55.61821
242.4219 56.25616
242.9041 56.60916
243.3862 57.44856
243.8683 59.15691
244.3504 61.00226
244.8325 62.93103
245.3146 64.79420
245.7968 66.33804
246.2789 67.31412
246.7610 67.69276
247.2431 67.78583
247.7252 67.41583
248.2073 66.95712
248.6895 66.58125
249.1716 66.23860
249.6537 65.75716
250.1358 64.96385
250.6179 63.81915
251.1000 62.95374
251.5822 62.71918
252.0643 62.36411
252.5464 61.61340
253.0285 60.49706
253.5106 59.14363
253.9927 57.59598
254.4748 55.86197
254.9570 54.52937
255.4391 54.21915
255.9212 53.60880
256.4033 51.91385
256.8854 49.50145
257.3676 47.29910
257.8497 45.94699
258.3318 45.36093
258.8139 44.54453
259.2960 43.65614
259.7781 42.39043
260.2603 40.41840
260.7424 37.82811
261.2245 35.07410
261.7066 32.43057
262.1887 29.98787
262.6708 28.08440
263.1530 27.04843
263.6351 25.97314
264.1172 24.77472
264.5993 23.49023
265.0814 21.82632
265.5635 19.47481
266.0457 16.79073
266.5278 15.07648
267.0099 14.87093
267.4920 14.59515
267.9741 13.59390
268.4562 12.15443
268.9384 10.86456
269.4204 9.923050
269.9026 9.335693
270.3847 9.168823
270.8668 9.459503
271.3489 10.00006
271.8310 11.02147
272.3131 12.17708
272.7953 12.73575
273.2774 12.35526
273.7595 11.60252
274.2416 11.43983
274.7237 11.90430
275.2058 12.34923
275.6880 12.31645
276.1701 12.17442
276.6522 12.73163
277.1343 14.35428
277.6164 16.16856
278.0985 17.05139
278.5807 17.11369
279.0628 17.16141
279.5449 17.35959
280.0270 17.60532
280.5091 17.75354
280.9912 17.77623
281.4734 17.80573
281.9555 18.10692
282.4376 18.58397
282.9197 18.75473
283.4018 18.10167
283.8839 17.24330
284.3661 17.07953
284.8482 17.74585
285.3303 18.58299
285.8124 19.07356
286.2945 19.35117
286.7766 19.73512
287.2588 20.26945
287.7409 20.94914
288.2230 21.87515
288.7051 23.07864
289.1872 24.07571
289.6693 24.24284
290.1515 24.10896
290.6336 24.60767
291.1157 26.03381
291.5978 27.94603
292.0799 30.09366
292.5620 32.48680
293.0442 34.64505
293.5263 36.19621
294.0084 37.51283
294.4905 39.04858
294.9726 40.84576
295.4547 42.89694
295.9369 45.40944
296.4190 48.28946
296.9011 50.60527
297.3832 51.69574
297.8653 52.46822
298.3474 54.12079
298.8296 56.73186
299.3117 58.96826
299.7938 59.89421
300.2759 59.72992
300.7580 59.38147
301.2401 59.02972
301.7223 58.59402
302.2044 58.07878
302.6865 57.42029
303.1686 56.41739
303.6507 54.69339
304.1328 52.55969
304.6150 51.05385
305.0971 50.51434
305.5792 50.19559
306.0613 49.36270
306.5434 48.25851
307.0255 47.58517
307.5077 47.62115
307.9898 48.29254
308.4719 49.63412
308.9540 51.91119
309.4361 54.03624
309.9182 55.00813
310.4004 55.42999
310.8825 56.23685
311.3646 57.93979
311.8467 59.93362
312.3288 61.26497
312.8109 61.81900
313.2931 62.52512
313.7752 64.49838
314.2573 66.53296
314.7394 67.14685
315.2215 65.84682
315.7036 63.71307
316.1858 61.70720
316.6679 59.83075
317.1500 57.81961
317.6321 55.63286
318.1142 53.21454
318.5963 50.35117
319.0785 46.97424
319.5606 43.91563
320.0427 42.11447
320.5248 41.30289
321.0069 39.74170
321.4890 36.34209
321.9712 33.21500
322.4533 32.39558
322.9354 33.57004
323.4175 34.84795
323.8996 35.51364
324.3817 35.56323
324.8639 34.71622
325.3460 32.43616
325.8281 30.51117
326.3102 30.91982
326.7923 32.68192
327.2744 33.67081
327.7566 32.81267
328.2387 30.94284
328.7208 29.33336
329.2029 28.08592
329.6850 26.53284
330.1671 24.02518
330.6493 21.04492
331.1314 18.29172
331.6135 16.03743
332.0956 13.80286
332.5777 10.90259
333.0598 7.383392
333.5420 4.439133
334.0241 2.881897
334.5062 1.881287
334.9883 3.2515999E-02
335.4704 2.988876
335.9525 5.328049
336.4347 5.373093
336.9168 3.653229
337.3989 2.186981
337.8810 1.447327
338.3631 1.034622
338.8452 0.5451660
339.3274 1.0849000E-02
339.8094 0.5930790
340.2916 1.089813
340.7737 1.624496
341.2558 2.463409
341.7379 3.686417
342.2200 4.996338
342.7021 6.298157
343.1843 7.513962
343.6664 8.341644
344.1485 8.414108
344.6306 8.278610
345.1127 8.634598
345.5948 9.464767
346.0770 9.911835
346.5591 9.362350
347.0412 8.110458
347.5233 7.099487
348.0054 6.506439
348.4875 5.870453
348.9697 4.879211
349.4518 3.614853
349.9339 2.315521
350.4160 0.9902190
350.8981 0.2050480
351.3802 0.9241490
351.8624 1.077652
352.3445 1.360519
352.8266 2.278305
353.3087 3.370468
353.7908 3.775208
354.2729 3.254501
354.7551 2.695984
355.2372 3.337509
355.7193 5.217178
356.2014 5.922531
356.6835 4.128159
357.1656 1.862259
357.6478 0.6641540
358.1299 0.5997770
358.6120 1.218033
359.0941 2.500626
359.5762 4.189789
360.0583 4.687378
360.5405 3.210876
361.0226 1.524933
361.5047 0.1816250
361.9868 0.8305510
362.4689 1.520874
362.9510 1.847244
363.4332 1.981888
363.9153 2.323517
364.3974 2.939148
364.8795 3.612686
365.3616 4.501862
365.8438 5.347183
366.3259 5.634201
366.8080 5.304474
367.2901 5.165146
367.7722 6.299057
368.2543 9.206787
368.7365 11.23575
369.2186 11.46686
369.7007 11.67815
370.1828 13.02379
370.6649 15.34433
371.1470 17.78897
371.6292 19.75983
372.1113 21.28590
372.5934 22.69777
373.0755 23.82169
373.5576 25.03781
374.0397 26.53603
374.5219 28.13976
375.0040 29.59045
375.4861 30.78551
375.9682 31.79051
376.4503 32.73380
376.9324 33.30769
377.4146 34.34857
377.8967 36.19193
378.3788 38.21928
378.8609 40.09163
379.3430 41.70174
379.8251 43.03522
380.3073 43.21527
380.7894 44.71666
381.2715 45.47386
381.7536 45.52724
382.2357 42.76187
382.7178 43.64105
383.2000 43.06248
383.6821 42.42621
384.1642 43.82417
384.6463 41.47948
385.1284 42.84933
385.6105 42.73935
386.0927 43.30960
386.5748 42.41319
387.0569 41.97244
387.5390 41.76530
388.0211 42.28149
388.5032 42.71762
388.9854 42.61125
389.4675 41.78442
389.9496 41.40985
390.4317 42.13849
390.9138 42.92755
391.3959 41.79752
391.8781 43.16026
392.3602 43.77032
392.8423 43.65189
393.3244 40.33943
393.8065 41.03227
394.2886 40.17764
394.7708 39.41942
395.2529 41.06525
395.7350 38.66135
396.2171 40.47736
396.6992 40.74425
397.1813 41.86430
397.6635 41.44749
398.1456 41.61174
398.6277 43.48421
399.1098 44.52905
399.5919 44.22975
400.0740 45.87401
400.5562 44.25800
401.0383 45.64563
401.5204 48.37250
402.0025 48.53674
402.4846 50.59740
402.9667 50.29961
403.4489 52.23552
403.9310 55.25711
404.4131 59.01532
404.8952 62.22186
405.3773 63.95424
405.8594 65.56766
406.3416 68.32031
406.8237 72.09570
407.3058 75.97328
407.7879 79.48866
408.2700 82.78949
408.7521 86.18219
409.2343 89.33527
409.7164 93.19037
410.1985 98.62689
410.6806 104.6980
411.1627 109.8996
411.6448 113.9130
412.1269 117.6873
412.6090 122.2505
413.0912 127.7008
413.5733 133.1969
414.0554 138.4653
414.5375 144.2431
415.0196 151.1626
415.5017 158.9238
415.9839 166.7752
416.4660 174.2746
416.9481 181.4096
417.4302 188.2369
417.9123 195.1472
418.3944 201.4548
418.8766 206.8103
419.3587 211.6572
419.8408 216.6173
420.3229 221.7554
420.8050 226.4235
421.2871 229.7520
421.7693 231.6324
422.2514 232.5153
422.7335 232.4388
423.2156 231.4115
423.6977 229.5561
424.1798 226.7324
424.6620 222.5772
425.1441 216.7319
425.6262 209.5516
426.1083 202.3436
426.5904 194.9960
427.0725 187.7951
427.5547 180.5410
428.0368 173.5929
428.5189 167.3782
429.0010 161.9742
429.4831 156.9789
429.9652 151.7693
430.4474 146.3354
430.9295 142.1761
431.4116 140.1347
431.8937 138.5216
432.3758 136.0067
432.8579 132.9886
433.3401 130.6156
433.8222 129.5782
434.3043 129.3450
434.7864 128.9780
435.2685 128.4075
435.7506 128.4043
436.2328 129.2288
436.7149 130.9495
437.1970 133.7087
437.6791 137.8969
438.1612 141.7917
438.6433 144.0698
439.1255 145.4701
439.6076 147.8232
440.0897 151.6761
440.5718 155.3526
441.0539 157.2863
441.5360 157.3791
442.0182 156.1096
442.5003 153.6372
442.9824 149.6793
443.4645 143.7657
443.9466 136.1736
444.4287 127.6900
444.9109 118.5671
445.3930 109.0943
445.8751 99.83502
446.3572 90.73645
446.8393 82.04164
447.3214 73.41470
447.8036 65.39105
448.2857 58.47835
448.7678 52.70972
449.2499 47.57594
449.7320 42.59349
450.2141 37.73439
450.6963 33.61127
451.1784 30.84258
451.6605 28.12279
452.1426 25.13586
452.6247 22.02615
453.1068 18.95337
453.5890 15.98712
454.0711 13.26949
454.5532 11.18958
455.0353 9.950363
455.5174 8.612320
455.9995 6.697617
456.4817 4.967148
456.9638 3.990158
457.4459 3.624069
457.9280 3.232147
458.4101 2.299515
458.8922 1.030716
459.3744 2.8763000E-02
459.8565 0.7404170
460.3386 1.130661
460.8207 0.7945250
461.3028 0.1473240
461.7849 0.2819370
462.2671 0.3129270
462.7492 0.5444950
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