#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:02:29 +0300 (Thu, 26 Apr 2018) $
#$Revision: 623 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000160.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_1000160
loop_
_publ_author_name
'Callegari, A.'
'Mazzi, F.'
'Tadini, C.'
_publ_section_title
;
 Modular aspects of the crystal structures of kurchatovite and
 clinokurchatovite Locality: Solongo, Siberia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1127/0935-1221/2003/0015-0277
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source        R130074
_chemical_formula_sum            'B2 Ca Mg O5'
_chemical_name_mineral           Kurchatovite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   36.34
_cell_length_b                   11.135
_cell_length_c                   5.499
_cell_volume                     2225.148
_exptl_crystal_density_diffrn    2.973
_cod_original_formula_sum        'Ca Mg B2 O5'
_cod_database_code               9010721
_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            R130074.rod
_rod_data_source.block           3500000
_rod_database.code               1000160
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 9010721 COD http://www.crystallography.net/cod/9010721.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
90.59570 0.0000000E+00
91.07782 3.3248998E-02
91.55994 0.7608720
92.04205 3.330971
92.52417 6.628983
93.00629 10.42051
93.48840 13.92794
93.97052 15.95869
94.45264 15.63211
94.93475 14.28866
95.41687 13.31893
95.89898 13.31558
96.38110 13.76578
96.86321 13.63635
97.34533 12.70847
97.82745 11.03942
98.30956 9.288651
98.79168 7.412193
99.27380 5.727730
99.75591 4.243286
100.2380 2.877655
100.7201 1.792122
101.2023 1.237663
101.6844 0.6892850
102.1665 0.4216000
102.6486 0.9914780
103.1307 1.882782
103.6128 2.759445
104.0950 3.377174
104.5771 4.025909
105.0592 5.108932
105.5413 5.939484
106.0234 6.425346
106.5055 6.371284
106.9877 5.864998
107.4698 5.272804
107.9519 4.430367
108.4340 3.739471
108.9161 3.460014
109.3982 3.432419
109.8804 3.265686
110.3625 2.472130
110.8446 0.8308330
111.3267 0.2335210
111.8088 0.4202500
112.2909 0.3029630
112.7731 4.7501002E-02
113.2552 0.2710800
113.7373 0.5913700
114.2194 0.8349380
114.7015 1.064682
115.1836 1.054298
115.6658 0.5951840
116.1479 1.7006001E-02
116.6300 0.3649140
117.1121 0.4272770
117.5942 0.2987590
118.0763 0.3080370
118.5584 0.6036220
119.0406 0.7317200
119.5227 0.4493560
120.0048 0.1134640
120.4869 0.5996480
120.9690 0.8325040
121.4511 0.9053650
121.9333 1.045036
122.4154 1.342278
122.8975 1.605614
123.3796 1.646385
123.8617 1.443687
124.3438 1.187912
124.8260 0.7966610
125.3081 0.4600140
125.7902 0.3845370
126.2723 0.6808850
126.7544 1.237175
127.2365 1.818810
127.7187 2.477058
128.2008 3.094246
128.6829 3.640617
129.1650 4.143486
129.6471 4.588821
130.1292 4.954109
130.6114 5.255455
131.0935 5.736076
131.5756 6.626938
132.0577 7.496254
132.5398 8.175514
133.0219 8.741631
133.5041 9.392685
133.9862 10.32632
134.4683 11.63534
134.9504 12.60469
135.4325 13.33514
135.9146 13.73327
136.3968 13.63598
136.8789 13.07185
137.3610 12.32168
137.8431 11.71439
138.3252 11.29637
138.8073 10.73787
139.2895 9.855095
139.7716 8.884590
140.2537 8.086754
140.7358 7.523590
141.2179 7.153748
141.7000 6.990685
142.1821 7.013313
142.6643 7.006310
143.1464 6.905418
143.6285 6.712418
144.1106 6.405052
144.5927 5.886246
145.0748 5.340446
145.5570 4.927338
146.0391 4.636749
146.5212 4.363651
147.0033 3.990723
147.4854 3.500927
147.9675 3.097309
148.4497 2.922104
148.9318 2.883739
149.4139 3.093254
149.8960 3.564121
150.3781 4.170780
150.8602 4.713524
151.3424 5.102688
151.8245 5.642731
152.3066 6.378490
152.7887 7.233200
153.2708 8.130424
153.7529 9.039410
154.2351 10.01619
154.7172 11.21158
155.1993 13.03287
155.6814 14.58500
156.1635 15.82188
156.6456 16.77643
157.1278 17.47304
157.6099 17.91933
158.0920 18.12622
158.5741 18.13276
159.0562 18.04333
159.5383 17.67008
160.0205 16.88282
160.5026 15.78908
160.9847 14.57646
161.4668 13.31161
161.9489 12.03796
162.4310 10.98847
162.9131 10.27966
163.3953 9.641624
163.8774 8.869705
164.3595 7.986710
164.8416 7.263073
165.3237 6.999928
165.8058 6.991535
166.2880 6.752426
166.7701 6.001785
167.2522 5.166580
167.7343 4.764713
168.2164 4.866192
168.6985 5.046604
169.1807 5.064610
169.6628 5.029545
170.1449 5.075401
170.6270 5.308064
171.1091 5.616707
171.5912 5.701302
172.0734 5.321552
172.5555 5.181416
173.0376 5.657745
173.5197 6.470387
174.0018 7.232437
174.4839 7.714710
174.9661 7.976059
175.4482 8.251770
175.9303 8.495045
176.4124 8.775593
176.8945 9.121029
177.3766 9.554684
177.8588 10.10306
178.3409 10.78097
178.8230 11.58419
179.3051 12.12834
179.7872 12.24492
180.2693 12.27655
180.7515 12.26119
181.2336 12.23182
181.7157 12.23658
182.1978 12.32277
182.6799 12.49992
183.1620 12.64521
183.6441 12.74030
184.1263 12.83826
184.6084 13.04680
185.0905 13.31922
185.5726 13.44343
186.0547 13.19213
186.5368 12.49575
187.0190 11.91950
187.5011 11.63880
187.9832 11.35619
188.4653 10.84924
188.9474 10.09953
189.4296 9.222553
189.9117 8.263275
190.3938 7.235489
190.8759 6.369419
191.3580 5.738850
191.8401 5.259609
192.3223 4.836731
192.8044 4.456287
193.2865 4.157978
193.7686 4.008339
194.2507 3.973717
194.7328 3.994156
195.2150 4.135231
195.6971 4.307678
196.1792 4.276241
196.6613 3.887451
197.1434 3.598404
197.6255 3.938560
198.1077 4.666592
198.5898 5.145710
199.0719 4.813278
199.5540 3.904102
200.0361 3.461903
200.5182 3.787220
201.0004 4.217995
201.4825 4.417965
201.9646 4.431499
202.4467 4.379124
202.9288 4.353432
203.4109 4.348236
203.8930 4.234818
204.3752 3.781170
204.8573 3.469845
205.3394 3.610096
205.8215 4.054615
206.3036 4.431206
206.7857 4.372673
207.2679 3.840988
207.7500 3.643967
208.2321 4.276463
208.7142 4.809212
209.1963 4.847717
209.6784 4.509129
210.1606 4.179501
210.6427 4.234337
211.1248 4.750626
211.6069 4.953480
212.0890 4.671329
212.5711 4.271564
213.0533 3.850719
213.5354 3.433582
214.0175 3.009975
214.4996 2.557178
214.9817 2.045990
215.4638 1.734344
215.9460 1.854259
216.4281 1.922764
216.9102 1.658470
217.3923 1.092896
217.8744 0.4511910
218.3565 7.2944999E-02
218.8387 0.4672890
219.3208 0.7731670
219.8029 1.045303
220.2850 1.201885
220.7671 1.102634
221.2492 0.7843780
221.7314 0.5160900
222.2135 0.5603520
222.6956 0.9428220
223.1777 1.158928
223.6598 1.154640
224.1419 1.027908
224.6240 0.8025970
225.1062 0.4905240
225.5883 0.1985890
226.0704 4.9599999E-04
226.5525 9.7015001E-02
227.0346 0.1148530
227.5167 5.7785001E-02
227.9989 0.2402950
228.4810 0.2510570
228.9631 7.8060001E-02
229.4452 0.1462250
229.9273 0.3467600
230.4094 0.5243610
230.8916 0.6824340
231.3737 0.8180960
231.8558 0.9373400
232.3379 1.026340
232.8200 1.073593
233.3021 1.162781
233.7843 1.423382
234.2664 1.748611
234.7485 1.962215
235.2306 1.937756
235.7127 1.852074
236.1948 1.975952
236.6770 2.365528
237.1591 2.733418
237.6412 2.866737
238.1233 2.916348
238.6054 3.060200
239.0875 3.392654
239.5697 3.784977
240.0518 4.023590
240.5339 4.071289
241.0160 4.084290
241.4981 4.075890
241.9802 4.083447
242.4624 4.170486
242.9445 4.382492
243.4266 4.606667
243.9087 4.621368
244.3908 4.331585
244.8729 4.090458
245.3550 4.051361
245.8372 4.070217
246.3193 4.041542
246.8014 3.931656
247.2835 3.737171
247.7656 3.389202
248.2477 2.702160
248.7299 2.326538
249.2120 2.661842
249.6941 3.143791
250.1762 3.292271
250.6583 2.969948
251.1404 2.479141
251.6226 2.349918
252.1047 2.797195
252.5868 3.128986
253.0689 3.234417
253.5510 3.254887
254.0331 3.277710
254.5153 3.327465
254.9974 3.388863
255.4795 3.407314
255.9616 3.221943
256.4437 3.374332
256.9258 4.140957
257.4080 4.980255
257.8901 5.539570
258.3722 5.760967
258.8543 5.828426
259.3364 5.983383
259.8185 6.263897
260.3007 6.537762
260.7828 6.857967
261.2649 7.136307
261.7470 7.277477
262.2291 7.294151
262.7112 7.305340
263.1934 7.453434
263.6755 7.783005
264.1576 8.100960
264.6397 8.368393
265.1218 8.652111
265.6039 9.021793
266.0861 9.461658
266.5682 9.884590
267.0503 10.20765
267.5324 10.42435
268.0145 10.54230
268.4966 10.46405
268.9788 10.40084
269.4609 10.50188
269.9430 10.72367
270.4251 10.89392
270.9072 10.86367
271.3893 10.62477
271.8715 10.42854
272.3536 10.38807
272.8357 10.27126
273.3178 9.891422
273.7999 9.342785
274.2820 8.899075
274.7642 8.768589
275.2463 8.909988
275.7284 8.821033
276.2105 8.271923
276.6926 7.765404
277.1747 7.589901
277.6568 7.596680
278.1389 7.411579
278.6211 6.802250
279.1032 5.933907
279.5853 5.471550
280.0674 5.703373
280.5495 5.852150
281.0316 5.679306
281.5138 5.328579
281.9959 5.054604
282.4780 4.982979
282.9601 5.016506
283.4422 4.880558
283.9243 4.494938
284.4065 4.099960
284.8886 3.628468
285.3707 3.196758
285.8528 3.005119
286.3349 3.142796
286.8170 3.484516
287.2992 3.834747
287.7813 4.225784
288.2634 4.493282
288.7455 4.494602
289.2276 4.403084
289.7097 4.430069
290.1919 4.624817
290.6740 4.900761
291.1561 5.173527
291.6382 5.446980
292.1203 5.678562
292.6024 5.824284
293.0846 5.946690
293.5667 6.085541
294.0488 6.249321
294.5309 6.487217
295.0130 6.891232
295.4951 7.456886
295.9773 7.848000
296.4594 7.930534
296.9415 7.924309
297.4236 7.983036
297.9057 8.112450
298.3878 8.273262
298.8700 8.453648
299.3521 8.642292
299.8342 8.784435
300.3163 8.812328
300.7984 8.854824
301.2805 8.985649
301.7627 9.196560
302.2448 9.451271
302.7269 9.742809
303.2090 10.05954
303.6911 10.37847
304.1732 10.78838
304.6554 11.06793
305.1375 11.01824
305.6196 10.75549
306.1017 10.61091
306.5838 10.75961
307.0659 10.99774
307.5481 10.90693
308.0302 10.45261
308.5123 9.923584
308.9944 9.409111
309.4765 8.882618
309.9586 8.293049
310.4408 7.620617
310.9229 6.915451
311.4050 6.222260
311.8871 5.528248
312.3692 4.954475
312.8513 4.644901
313.3335 4.413235
313.8156 3.989521
314.2977 3.327850
314.7798 2.689201
315.2619 2.340328
315.7440 2.264347
316.2262 2.134251
316.7083 1.845860
317.1904 1.549206
317.6725 1.383808
318.1546 1.345467
318.6367 1.321175
319.1188 1.237648
319.6010 1.106201
320.0831 0.9911960
320.5652 0.9108240
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322.0115 0.5214810
322.4937 0.4510150
322.9758 0.5645830
323.4579 0.7691730
323.9400 0.8159790
324.4221 0.6238980
324.9042 0.4809340
325.3864 0.5118140
325.8685 0.6579480
326.3506 0.8177340
326.8327 0.9649240
327.3148 1.093460
327.7969 1.185818
328.2791 1.235497
328.7612 1.309536
329.2433 1.461086
329.7254 1.604912
330.2075 1.631397
330.6896 1.526123
331.1718 1.421867
331.6539 1.455799
332.1360 1.641380
332.6181 1.816700
333.1002 2.010101
333.5823 2.170238
334.0645 2.250492
334.5466 2.245453
335.0287 2.186848
335.5108 2.054314
335.9929 1.886856
336.4750 1.936020
336.9572 2.458218
337.4393 2.904266
337.9214 2.986828
338.4035 2.813351
338.8856 2.656143
339.3677 2.651688
339.8499 2.715485
340.3320 2.602200
340.8141 2.187508
341.2962 1.850029
341.7783 1.655544
342.2604 1.578426
342.7426 1.629646
343.2247 1.813316
343.7068 2.024437
344.1889 2.098934
344.6710 1.969826
345.1531 1.808666
345.6353 1.538185
346.1174 1.311115
346.5995 1.214119
347.0816 1.256796
347.5637 1.466709
348.0458 1.936661
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349.0101 3.028879
349.4922 2.541243
349.9743 2.056322
350.4564 1.884485
350.9385 1.964884
351.4207 2.162426
351.9028 2.426592
352.3849 2.721411
352.8670 2.886356
353.3491 2.796795
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354.3134 2.766647
354.7955 2.853291
355.2776 3.092367
355.7597 3.493200
356.2418 3.852177
356.7239 3.811956
357.2061 3.048870
357.6882 2.545637
358.1703 2.522652
358.6524 2.577515
359.1345 2.375267
359.6166 1.929909
360.0987 1.543055
360.5808 1.533531
361.0630 1.958874
361.5451 2.225355
362.0272 2.208948
362.5093 2.164856
362.9914 2.198952
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363.9557 2.250996
364.4378 2.068712
364.9199 1.786566
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365.8841 2.043741
366.3662 2.261307
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367.3305 2.075163
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368.2947 1.744648
368.7768 1.634129
369.2589 1.635696
369.7411 1.835680
370.2232 1.908590
370.7053 1.730856
371.1874 1.526651
371.6695 1.416153
372.1516 1.395924
372.6338 1.386467
373.1159 1.327360
373.5980 1.218960
374.0801 1.053450
374.5622 0.7097760
375.0443 0.4635790
375.5265 0.4558490
376.0086 0.5861910
376.4907 0.7158570
376.9728 0.7931270
377.4549 0.7949370
377.9370 0.6360170
378.4192 0.2298070
378.9013 9.0163998E-02
379.3834 0.2014430
379.8655 0.2114410
380.3476 0.1824870
380.8297 0.1279740
381.3119 6.0593002E-02
381.7940 2.3758000E-02
382.2761 0.1239530
382.7582 0.1647010
383.2403 7.9751998E-02
383.7224 8.3500001E-04
384.2046 5.9510998E-02
384.6867 0.2094480
385.1688 0.2815090
385.6509 8.9941002E-02
386.1330 0.2261260
386.6151 0.3250710
387.0973 0.1507680
387.5794 3.9554998E-02
388.0615 7.4545003E-02
388.5436 4.0894002E-02
389.0257 7.2296001E-02
389.5078 0.2437760
389.9900 0.3932130
390.4721 0.2777730
390.9542 4.7929998E-02
391.4363 0.1055070
391.9184 0.4140530
392.4005 1.078747
392.8827 1.266655
393.3648 0.9568560
393.8469 0.6097870
394.3290 0.3236430
394.8111 0.1376170
395.2932 0.1731190
395.7754 0.4678460
396.2575 0.7651880
396.7396 0.8307670
397.2217 0.6777650
397.7038 0.5495800
398.1859 0.4537300
398.6681 0.3863700
399.1501 0.3809720
399.6323 0.4101280
400.1144 0.3615260
400.5965 0.1555820
401.0786 0.1266210
401.5607 0.2332290
402.0428 4.4376001E-02
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