#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:00 +0300 (Thu, 24 May 2018) $
#$Revision: 854 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000341.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_1000341
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 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            R130074.rod
_rod_data_source.block           3500000
_rod_database.code               1000341
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
89.78320 0.0000000E+00
90.26532 1.403076
90.74744 0.1047970
91.22955 9.108093
91.71167 21.79443
92.19379 28.62939
92.67590 30.43970
93.15802 30.83240
93.64014 29.96259
94.12225 28.44293
94.60437 28.37164
95.08649 31.54486
95.56860 35.64575
96.05072 39.25098
96.53284 37.88788
97.01495 32.44031
97.49707 27.97864
97.97919 24.41687
98.46130 21.45587
98.94342 19.36835
99.42554 18.01453
99.90765 15.28033
100.3898 10.81519
100.8719 5.751648
101.3540 1.327026
101.8361 2.902405
102.3182 5.313171
102.8004 5.209534
103.2825 2.300903
103.7646 1.591553
104.2467 6.618530
104.7288 12.51166
105.2109 18.59174
105.6931 24.72327
106.1752 31.36383
106.6573 39.23157
107.1394 52.57495
107.6215 60.15100
108.1036 59.69879
108.5858 52.78210
109.0679 47.29492
109.5500 42.53894
110.0321 39.60663
110.5142 39.08130
110.9963 42.71179
111.4785 46.68768
111.9606 50.81238
112.4427 55.06982
112.9248 58.96191
113.4069 62.02747
113.8890 64.90112
114.3712 68.13293
114.8533 73.26318
115.3354 77.44470
115.8175 79.22095
116.2996 78.34039
116.7817 78.00439
117.2639 80.17615
117.7460 83.33569
118.2281 85.55426
118.7102 85.25977
119.1923 84.41272
119.6744 83.89557
120.1566 83.61835
120.6387 84.45911
121.1208 87.12769
121.6029 91.27747
122.0850 96.21942
122.5671 102.8969
123.0493 109.5961
123.5314 114.5441
124.0135 117.2912
124.4956 118.6036
124.9777 118.2588
125.4598 116.7245
125.9420 115.8513
126.4241 116.9167
126.9062 119.4457
127.3883 122.5039
127.8704 125.6555
128.3525 129.5472
128.8347 135.5997
129.3168 143.7393
129.7989 152.1586
130.2810 159.5106
130.7631 165.9488
131.2452 172.3519
131.7274 178.7252
132.2095 185.3112
132.6916 192.9092
133.1737 201.6904
133.6558 210.7710
134.1379 220.1158
134.6201 229.7030
135.1022 237.6342
135.5843 243.4284
136.0664 247.1089
136.5485 248.3127
137.0306 246.7010
137.5128 243.3832
137.9949 239.4783
138.4770 234.9080
138.9591 230.0245
139.4412 224.8738
139.9233 219.4963
140.4055 213.6331
140.8876 206.7733
141.3697 199.8975
141.8518 194.6296
142.3339 191.3555
142.8160 188.8312
143.2982 186.7721
143.7803 185.4991
144.2624 183.7355
144.7445 181.5620
145.2266 178.8622
145.7087 175.4440
146.1909 170.7864
146.6730 166.0244
147.1551 161.6124
147.6372 158.2402
148.1193 153.9405
148.6014 147.7669
149.0836 140.6301
149.5657 135.2186
150.0478 131.2274
150.5299 129.3102
151.0120 129.7714
151.4941 134.5749
151.9763 139.4001
152.4584 143.7777
152.9405 147.9507
153.4226 153.2430
153.9047 160.0917
154.3868 167.8308
154.8690 176.1072
155.3511 185.9747
155.8332 195.1975
156.3153 203.0948
156.7974 209.8145
157.2795 216.5786
157.7617 225.5584
158.2438 233.6844
158.7259 238.7430
159.2080 239.5086
159.6901 237.7195
160.1722 234.1450
160.6544 228.9014
161.1365 221.0573
161.6186 208.2446
162.1007 193.5250
162.5828 179.3659
163.0649 166.4747
163.5471 154.5206
164.0292 143.0014
164.5113 131.8275
164.9934 122.4238
165.4755 116.0302
165.9576 111.6034
166.4398 107.9487
166.9219 104.7026
167.4040 101.8889
167.8861 99.46521
168.3682 97.36896
168.8503 95.93958
169.3325 95.33380
169.8146 95.54156
170.2967 96.53339
170.7788 99.30432
171.2609 102.4150
171.7430 104.2714
172.2252 104.6173
172.7073 105.2611
173.1894 107.7000
173.6715 111.5010
174.1536 115.6221
174.6357 119.9678
175.1179 124.2967
175.6000 128.2954
176.0821 131.8523
176.5642 135.3399
177.0463 139.2858
177.5284 143.5116
178.0106 147.3859
178.4927 150.6737
178.9748 153.3920
179.4569 155.3746
179.9390 156.5143
180.4211 157.3699
180.9033 158.7610
181.3854 160.5434
181.8675 161.9850
182.3496 162.6566
182.8317 162.6888
183.3138 162.3482
183.7960 161.5960
184.2781 160.6617
184.7602 160.1588
185.2423 159.9629
185.7244 159.1107
186.2065 156.8749
186.6887 153.4568
187.1708 149.6235
187.6529 145.5041
188.1350 140.8986
188.6171 135.5576
189.0992 129.4354
189.5814 122.7347
190.0635 115.3032
190.5456 107.1878
191.0277 99.32910
191.5098 91.62433
191.9919 84.45776
192.4741 78.92426
192.9562 75.08289
193.4383 71.97772
193.9204 69.03900
194.4025 66.28394
194.8846 64.03369
195.3668 62.32678
195.8489 61.13934
196.3310 60.48962
196.8131 60.40845
197.2952 60.61359
197.7773 61.00085
198.2595 61.57501
198.7416 62.10931
199.2237 62.63910
199.7058 63.06519
200.1879 63.08936
200.6700 62.68939
201.1522 62.01459
201.6343 60.98364
202.1164 59.51526
202.5985 58.67755
203.0806 58.93231
203.5627 59.72943
204.0449 59.03076
204.5270 56.36633
205.0091 53.73334
205.4912 52.63354
205.9733 53.33051
206.4554 53.97809
206.9376 54.40131
207.4197 54.61371
207.9018 54.64172
208.3839 54.42615
208.8660 54.18738
209.3481 54.19586
209.8303 54.63068
210.3124 54.55267
210.7945 53.85638
211.2766 52.58667
211.7587 50.80072
212.2408 48.33350
212.7230 45.69507
213.2051 43.33746
213.6872 41.58331
214.1693 38.88507
214.6514 34.81415
215.1335 29.65179
215.6157 24.89819
216.0978 20.50208
216.5799 16.49414
217.0620 12.90002
217.5441 9.828064
218.0262 6.793762
218.5084 3.669067
218.9905 0.4995120
219.4726 2.287598
219.9547 4.607666
220.4368 6.756775
220.9189 9.017517
221.4011 11.81836
221.8832 13.57074
222.3653 13.85706
222.8474 12.98389
223.3295 12.36963
223.8116 12.19904
224.2938 12.00769
224.7759 11.54486
225.2580 10.84570
225.7401 9.789551
226.2222 8.247498
226.7043 6.349609
227.1865 4.469482
227.6686 2.357971
228.1507 0.7003170
228.6328 1.5015000E-02
229.1149 0.6156620
229.5970 1.280396
230.0792 2.088684
230.5613 2.869995
231.0434 2.870972
231.5255 1.673462
232.0076 0.2924190
232.4897 0.6769410
232.9719 0.8853150
233.4540 1.511475
233.9361 2.744019
234.4182 4.432678
234.9003 6.027527
235.3824 7.320862
235.8646 8.818665
236.3467 10.78424
236.8288 13.36597
237.3109 16.09576
237.7930 19.11688
238.2751 22.24890
238.7573 24.89850
239.2394 27.14575
239.7215 28.76141
240.2036 29.60376
240.6857 29.39001
241.1678 28.98962
241.6500 28.31238
242.1321 27.46790
242.6142 26.72430
243.0963 26.07983
243.5784 25.54755
244.0605 25.31122
244.5427 26.04059
245.0248 25.25677
245.5069 22.18359
245.9890 17.90839
246.4711 14.89288
246.9532 13.68341
247.4354 12.80847
247.9175 11.71368
248.3996 10.23724
248.8817 9.079041
249.3638 8.265869
249.8459 7.771973
250.3281 7.469482
250.8102 7.015259
251.2923 7.388977
251.7744 9.189819
252.2565 12.93817
252.7386 15.81226
253.2208 17.44135
253.7029 18.46881
254.1850 19.84967
254.6671 21.42889
255.1492 23.68213
255.6313 26.97583
256.1135 31.55536
256.5956 35.30927
257.0777 37.87573
257.5598 39.89142
258.0419 42.20587
258.5240 44.92603
259.0062 47.60455
259.4883 50.08209
259.9704 52.27954
260.4525 54.76080
260.9346 57.62128
261.4167 60.61066
261.8989 63.44104
262.3810 66.04468
262.8631 68.63568
263.3452 71.25336
263.8273 73.94324
264.3094 76.52472
264.7916 78.94861
265.2737 81.44666
265.7558 84.32831
266.2379 87.69806
266.7200 91.11005
267.2021 94.68225
267.6843 98.31085
268.1664 100.9754
268.6485 102.2839
269.1306 103.4182
269.6127 105.6086
270.0948 109.2968
270.5770 111.9658
271.0591 113.1216
271.5412 112.9077
272.0233 111.9234
272.5054 110.0126
272.9875 107.7456
273.4697 105.4958
273.9518 103.2427
274.4339 100.9606
274.9160 98.54681
275.3981 96.17126
275.8802 94.37524
276.3624 93.28357
276.8445 92.27112
277.3266 91.11481
277.8087 89.90338
278.2908 87.65698
278.7729 84.02771
279.2551 79.60278
279.7372 76.07178
280.2193 73.69849
280.7014 71.23425
281.1835 67.62024
281.6656 62.85950
282.1478 58.99396
282.6299 56.13062
283.1120 54.20435
283.5941 53.60455
284.0762 54.45807
284.5583 54.75317
285.0405 52.96973
285.5226 49.46191
286.0047 47.36420
286.4868 46.73212
286.9689 47.04462
287.4510 47.84534
287.9332 49.11584
288.4153 50.71210
288.8974 52.70447
289.3795 55.08057
289.8616 57.41132
290.3438 59.63507
290.8259 61.95636
291.3080 64.71039
291.7901 67.81952
292.2722 71.01019
292.7543 74.07117
293.2365 77.16248
293.7186 80.95612
294.2007 85.43762
294.6828 89.48059
295.1649 91.97278
295.6470 93.16187
296.1292 93.87396
296.6113 94.05829
297.0934 94.14935
297.5755 94.84503
298.0576 96.12683
298.5397 97.70410
299.0219 99.62726
299.5040 101.6989
299.9861 103.3781
300.4682 104.3734
300.9503 105.3494
301.4324 107.3929
301.9146 110.2322
302.3967 112.7986
302.8788 113.9360
303.3609 114.5305
303.8430 115.9795
304.3251 118.6824
304.8073 121.4415
305.2894 123.3322
305.7715 124.4301
306.2536 124.9807
306.7357 125.0905
307.2178 124.6885
307.7000 123.8205
308.1821 122.5238
308.6642 120.2771
309.1463 116.4357
309.6284 111.4393
310.1105 105.9129
310.5927 99.81445
311.0748 93.57123
311.5569 87.25452
312.0390 80.88538
312.5211 74.96466
313.0032 70.01404
313.4854 65.50696
313.9675 60.95087
314.4496 55.87512
314.9317 51.02087
315.4138 46.76379
315.8959 43.06335
316.3781 39.49426
316.8602 35.27039
317.3423 31.50323
317.8244 29.09027
318.3065 29.10895
318.7886 29.24860
319.2708 28.72882
319.7529 27.75085
320.2350 26.88019
320.7171 26.02844
321.1992 25.51404
321.6813 25.65912
322.1635 27.12726
322.6456 27.79321
323.1277 26.11945
323.6098 23.55298
324.0919 22.51447
324.5740 24.79413
325.0562 27.36920
325.5383 29.37500
326.0204 30.68781
326.5025 31.76489
326.9846 32.48163
327.4667 33.04810
327.9489 33.69855
328.4310 34.62891
328.9131 35.45459
329.3952 36.17236
329.8773 36.79211
330.3594 37.13293
330.8416 36.86469
331.3237 36.60425
331.8058 36.76666
332.2879 37.32477
332.7700 38.38721
333.2521 40.20148
333.7343 42.55621
334.2164 44.47180
334.6985 45.75403
335.1806 46.88550
335.6627 48.14081
336.1448 49.48346
336.6270 50.74786
337.1091 51.93103
337.5912 53.06842
338.0733 54.24597
338.5554 55.54187
339.0375 56.50995
339.5197 56.97052
340.0018 56.92242
340.4839 56.63348
340.9660 56.04340
341.4481 55.37738
341.9302 55.04620
342.4124 55.06976
342.8945 54.67596
343.3766 53.48981
343.8587 51.73291
344.3408 50.16455
344.8229 48.75366
345.3051 48.05243
345.7872 48.86444
346.2693 50.87885
346.7514 52.31409
347.2335 52.52844
347.7156 52.31342
348.1978 53.50995
348.6799 56.09302
349.1620 58.76202
349.6441 60.29199
350.1262 61.15338
350.6083 62.60010
351.0905 64.88855
351.5726 67.40906
352.0547 69.55945
352.5368 71.42267
353.0189 73.16724
353.5010 74.72009
353.9832 76.10718
354.4653 77.74719
354.9474 79.79327
355.4295 81.04742
355.9116 79.66333
356.3937 76.80426
356.8759 74.50366
357.3580 74.39484
357.8401 74.46912
358.3222 73.17810
358.8043 70.68140
359.2864 68.24634
359.7686 66.51172
360.2507 65.14868
360.7328 63.89307
361.2149 62.64453
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362.6613 60.21350
363.1434 59.20526
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365.0718 53.27332
365.5540 52.82983
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368.4467 42.73926
368.9288 40.09082
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370.3751 34.91913
370.8572 34.05255
371.3394 34.15479
371.8215 33.75861
372.3036 32.69458
372.7857 31.05670
373.2678 29.06604
373.7499 26.27722
374.2321 23.87378
374.7142 22.69733
375.1963 23.32770
375.6784 22.43115
376.1605 19.32330
376.6426 15.54968
377.1248 13.85413
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378.5711 14.14612
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383.3923 3.874878
383.8744 4.341858
384.3565 4.452515
384.8386 3.269348
385.3207 1.506714
385.8029 0.8495480
386.2850 1.621216
386.7671 2.595398
387.2492 2.408142
387.7313 1.455017
388.2134 0.6412960
388.6956 0.5609130
389.1777 0.7036740
389.6598 0.5621950
390.1419 0.1582640
390.6240 0.1300660
391.1061 0.3025510
391.5883 0.8226320
392.0704 0.7120360
392.5525 0.8509520
393.0346 2.194580
393.5167 2.385986
393.9988 1.748474
394.4810 1.205566
394.9631 1.260559
395.4452 1.347046
395.9273 1.141418
396.4094 0.4782710
396.8915 5.8899000E-02
397.3737 0.3866580
397.8558 0.5140380
398.3379 0.4518430
398.8200 0.1403810
399.3021 0.5808720
399.7842 0.6600950
400.2664 0.3873900
400.7485 0.3216550
401.2306 0.4417720
401.7127 0.8077390
402.1948 1.551453
402.6769 3.176514
403.1591 4.079224
403.6412 3.990784
404.1233 3.211121
404.6054 2.319275
405.0875 1.077637
405.5696 0.4470830
406.0518 1.077698
406.5339 3.015869
407.0160 4.268860
407.4981 4.720764
407.9802 4.749207
408.4623 4.663391
408.9445 4.460449
409.4266 4.465637
409.9087 4.946838
410.3908 5.521362
410.8729 5.059082
411.3550 3.586243
411.8372 2.215637
412.3193 2.239563
412.8014 2.908203
413.2835 2.199036
413.7656 0.4666750
414.2477 3.264404
414.7299 3.715820
415.2120 2.709778
415.6941 2.377625
416.1762 4.716187
416.6583 7.499756
417.1404 8.428955
417.6226 7.532654
418.1047 6.845764
418.5868 7.739075
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