#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:29:12 +0300 (Thu, 26 Apr 2018) $
#$Revision: 486 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000041.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_1000041
loop_
_publ_author_name
'Malinovskii Yu, A.'
'Yamnova, N. A.'
'Belov, N. V.'
_publ_section_title
;
 The refined crystal structure of the leucosphenite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1128
_journal_page_last               1132
_journal_volume                  257
_journal_year                    1981
_chemical_compound_source        R060201
_chemical_formula_sum            'B2 Ba Na4 O30 Si10 Ti2'
_chemical_name_mineral           Leucosphenite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.35
_cell_angle_gamma                90
_cell_length_a                   9.814
_cell_length_b                   16.851
_cell_length_c                   7.210
_cell_volume                     1190.321
_exptl_crystal_density_diffrn    3.090
_cod_original_formula_sum        'Ba Na4 Ti2 B2 Si10 O30'
_cod_database_code               9009548
_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            R060201.rod
_rod_data_source.block           3500000
_rod_database.code               1000041
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 9009548 COD http://www.crystallography.net/cod/9009548.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
108.7012 0.0000000E+00
109.1833 0.6474950
109.6655 2.904058
110.1476 4.177488
110.6297 5.216595
111.1118 8.018600
111.5939 13.50070
112.0760 19.20144
112.5582 22.92077
113.0403 25.09429
113.5224 26.07647
114.0045 25.27242
114.4866 22.62143
114.9688 19.91010
115.4509 17.52027
115.9330 15.25521
116.4151 12.90574
116.8972 11.87197
117.3793 11.67114
117.8615 12.21041
118.3436 13.56755
118.8257 14.09499
119.3078 13.54054
119.7899 12.38134
120.2720 11.47450
120.7542 10.29124
121.2363 9.068644
121.7184 7.702238
122.2005 5.930139
122.6826 4.291234
123.1647 2.863677
123.6468 1.578107
124.1290 0.3081610
124.6111 1.058759
125.0932 0.1781950
125.5753 0.6439750
126.0574 1.042888
126.5395 1.050028
127.0217 0.4551200
127.5038 0.6253280
127.9859 1.473564
128.4680 1.056520
128.9501 1.065575
129.4323 0.8322510
129.9144 6.9758996E-02
130.3965 1.034707
130.8786 1.121031
131.3607 9.2979996E-03
131.8428 0.6520260
132.3250 0.8878670
132.8071 3.752157
133.2892 6.503619
133.7713 8.486720
134.2534 9.875067
134.7355 11.26118
135.2177 12.54391
135.6998 14.01640
136.1819 15.81615
136.6640 17.89351
137.1461 20.09257
137.6282 22.41571
138.1104 24.91669
138.5925 26.97488
139.0746 27.69247
139.5567 28.70293
140.0388 30.85004
140.5209 34.02168
141.0031 37.46468
141.4852 40.32086
141.9673 42.25448
142.4494 44.22767
142.9315 46.40361
143.4136 48.51476
143.8958 50.29633
144.3779 51.71065
144.8600 53.07787
145.3421 54.94067
145.8242 57.76308
146.3063 60.21620
146.7885 61.69388
147.2706 62.96080
147.7527 65.27374
148.2348 69.28430
148.7169 73.71199
149.1990 75.90411
149.6812 75.99435
150.1633 74.76796
150.6454 71.80567
151.1275 67.62739
151.6096 64.36090
152.0917 62.27401
152.5739 60.67767
153.0560 58.43597
153.5381 55.00101
154.0202 51.33925
154.5023 48.74191
154.9844 47.54386
155.4665 46.54952
155.9487 45.75304
156.4308 45.44642
156.9129 45.79950
157.3950 46.86670
157.8771 48.52679
158.3592 50.63696
158.8414 53.22612
159.3235 56.23470
159.8056 60.76252
160.2877 65.14279
160.7698 67.88992
161.2519 68.43924
161.7341 67.42112
162.2162 66.16891
162.6983 65.36932
163.1804 63.20824
163.6625 58.80883
164.1446 53.50927
164.6268 48.20201
165.1089 43.15989
165.5910 38.87773
166.0731 35.81388
166.5552 35.27547
167.0373 34.64113
167.5195 33.44662
168.0016 31.76619
168.4837 29.73059
168.9658 27.34270
169.4479 24.66422
169.9300 22.86568
170.4122 22.57108
170.8943 22.36911
171.3764 22.02990
171.8585 21.37916
172.3406 19.67067
172.8227 15.82237
173.3049 10.31312
173.7870 6.947155
174.2691 6.812443
174.7512 8.009312
175.2333 9.280744
175.7154 10.58874
176.1976 11.78599
176.6797 12.77270
177.1618 13.56197
177.6439 14.13912
178.1260 14.09309
178.6081 13.98106
179.0903 14.61382
179.5724 16.05983
180.0545 18.08007
180.5366 21.18160
181.0187 24.66290
181.5008 27.30632
181.9830 28.15431
182.4651 27.72054
182.9472 28.04523
183.4293 29.81078
183.9114 31.26902
184.3935 31.69765
184.8757 31.41426
185.3578 30.89996
185.8399 30.49866
186.3220 30.18261
186.8041 29.33265
187.2862 27.64205
187.7684 25.74481
188.2505 23.75372
188.7326 21.63680
189.2147 19.26013
189.6968 16.43379
190.1789 13.20509
190.6611 10.47464
191.1432 8.435886
191.6253 6.658343
192.1074 5.185511
192.5895 3.898412
193.0716 2.488828
193.5538 0.5986840
194.0359 1.178138
194.5180 2.4666000E-02
195.0001 1.116988
195.4822 0.8807650
195.9643 0.7185650
196.4465 1.510499
196.9286 0.9968530
197.4107 0.9634860
197.8928 1.591400
198.3749 0.7063000
198.8570 0.8592370
199.3392 2.011430
199.8213 1.569081
200.3034 0.3994000
200.7855 1.389890
201.2676 1.146697
201.7497 1.083326
202.2319 0.8591610
202.7140 4.227952
203.1961 7.508298
203.6782 8.869636
204.1603 8.038536
204.6424 7.185533
205.1246 8.745216
205.6067 12.12925
206.0888 14.53896
206.5709 14.57313
207.0530 13.66230
207.5351 13.88273
208.0173 15.63459
208.4994 17.52048
208.9815 18.71521
209.4636 19.26075
209.9457 19.01645
210.4278 17.90757
210.9100 15.97411
211.3921 13.04919
211.8742 8.535863
212.3563 4.341068
212.8384 1.574089
213.3205 0.1387430
213.8027 1.380079
214.2848 2.286870
214.7669 1.976401
215.2490 1.224252
215.7311 4.2484999E-02
216.2132 0.8263720
216.6954 0.3236760
217.1775 0.8364500
217.6596 1.536847
218.1417 0.9413290
218.6238 0.6699850
219.1059 1.681658
219.5881 2.384538
220.0702 1.944125
220.5523 0.8198470
221.0344 0.9559190
221.5165 2.050649
221.9986 2.869325
222.4808 1.749439
222.9629 1.019101
223.4450 0.9240130
223.9271 1.017947
224.4092 1.332397
224.8913 1.759163
225.3735 2.103181
225.8556 2.203065
226.3377 2.112168
226.8198 2.475075
227.3019 4.386352
227.7840 5.603217
228.2662 4.809431
228.7483 3.032271
229.2304 2.251334
229.7125 3.878117
230.1946 7.558036
230.6767 9.338673
231.1589 7.749199
231.6410 6.037564
232.1231 4.753608
232.6052 3.944601
233.0873 3.565182
233.5694 3.593290
234.0516 4.013435
234.5337 4.762309
235.0158 6.157106
235.4979 7.470784
235.9800 8.600254
236.4621 9.491802
236.9443 10.02927
237.4264 10.11061
237.9085 9.824581
238.3906 9.573390
238.8727 8.361177
239.3548 8.234341
239.8370 10.81084
240.3191 15.08433
240.8012 18.51489
241.2833 19.72009
241.7654 19.40332
242.2475 19.67838
242.7297 20.57009
243.2118 21.86402
243.6939 23.62258
244.1760 25.73563
244.6581 27.91938
245.1402 30.15031
245.6224 32.25769
246.1045 33.80076
246.5866 34.38136
247.0687 35.49220
247.5508 38.47287
248.0329 42.73732
248.5151 46.07091
248.9972 47.22803
249.4793 47.76458
249.9614 50.15275
250.4435 54.70303
250.9256 58.98774
251.4078 61.63913
251.8899 62.72561
252.3720 63.43209
252.8541 63.91023
253.3362 64.24823
253.8183 64.53098
254.3005 64.68092
254.7826 64.42317
255.2647 63.42536
255.7468 61.82623
256.2289 60.25693
256.7110 58.56242
257.1931 57.21886
257.6753 56.82608
258.1574 57.17319
258.6395 57.22353
259.1216 56.22636
259.6037 54.50124
260.0858 53.54869
260.5680 54.11430
261.0501 54.39644
261.5322 52.81150
262.0143 49.95980
262.4964 47.66587
262.9785 47.33976
263.4607 48.66707
263.9428 49.72231
264.4249 49.96583
264.9070 50.75477
265.3891 52.97166
265.8712 56.12156
266.3534 59.18212
266.8355 61.43659
267.3176 63.13341
267.7997 65.53082
268.2818 69.76795
268.7639 72.88166
269.2461 73.57279
269.7282 72.69743
270.2103 71.53126
270.6924 70.82619
271.1745 70.18415
271.6566 68.16582
272.1388 63.86361
272.6209 59.80329
273.1030 56.74079
273.5851 54.21800
274.0672 51.76151
274.5493 49.26868
275.0315 46.73658
275.5136 43.92033
275.9957 40.34482
276.4778 37.55478
276.9599 35.79173
277.4420 34.67328
277.9242 33.97797
278.4063 33.69755
278.8884 33.99985
279.3705 35.20275
279.8526 37.39582
280.3347 40.14383
280.8169 43.43302
281.2990 47.02682
281.7811 50.81399
282.2632 54.73517
282.7453 58.73997
283.2274 62.60434
283.7096 65.89041
284.1917 70.14519
284.6738 75.49554
285.1559 81.54649
285.6380 88.32659
286.1201 95.62814
286.6023 103.0706
287.0844 110.4078
287.5665 117.8246
288.0486 124.5671
288.5307 131.4609
289.0128 137.0067
289.4950 140.5383
289.9771 142.0488
290.4592 141.8106
290.9413 140.0004
291.4234 136.5758
291.9055 132.2072
292.3877 127.0508
292.8698 120.8040
293.3519 112.5495
293.8340 103.0876
294.3161 93.98860
294.7982 86.39259
295.2804 80.17009
295.7625 74.04163
296.2446 67.26626
296.7267 61.40430
297.2088 56.60793
297.6909 52.96003
298.1731 50.86413
298.6552 50.62429
299.1373 51.62550
299.6194 51.51843
300.1015 48.72362
300.5836 46.69212
301.0658 45.99327
301.5479 46.07679
302.0300 46.57281
302.5121 47.30317
302.9942 47.87710
303.4763 47.45577
303.9585 45.40118
304.4406 43.20554
304.9227 41.19445
305.4048 38.88831
305.8869 35.58603
306.3690 31.26762
306.8512 26.84089
307.3333 23.69556
307.8154 22.31773
308.2975 20.57349
308.7796 18.22750
309.2617 15.89336
309.7439 14.05319
310.2260 12.65473
310.7081 11.23335
311.1902 9.292240
311.6723 6.672731
312.1544 4.644103
312.6366 3.054565
313.1187 1.983923
313.6008 1.677559
314.0829 1.998561
314.5650 2.607898
315.0471 3.259612
315.5293 3.972014
316.0114 4.998107
316.4935 6.918035
316.9756 8.511943
317.4577 9.547245
317.9398 10.08556
318.4220 10.14664
318.9041 9.721032
319.3862 9.015438
319.8683 8.693228
320.3504 9.444427
320.8326 9.708739
321.3147 9.036571
321.7968 8.034502
322.2789 7.339072
322.7610 7.148449
323.2431 7.114935
323.7253 6.584246
324.2074 4.839501
324.6895 4.057357
325.1716 4.606452
325.6537 5.688082
326.1358 7.015515
326.6180 8.408494
327.1001 9.547806
327.5822 10.04916
328.0643 9.761078
328.5464 9.597730
329.0285 10.11595
329.5107 10.22032
329.9928 9.342099
330.4749 7.640640
330.9570 5.537467
331.4391 3.257766
331.9212 0.8613210
332.4034 0.7506840
332.8855 0.3995770
333.3676 0.5310410
333.8497 2.176363
334.3318 2.480262
334.8139 0.9812500
335.2961 1.029094
335.7782 1.924743
336.2603 1.558408
336.7424 1.641240
337.2245 3.762510
337.7066 4.231334
338.1888 3.779370
338.6709 2.952741
339.1530 1.934947
339.6351 0.7097900
340.1172 0.9127390
340.5993 2.957093
341.0815 1.560903
341.5636 2.533956
342.0457 2.729640
342.5278 2.326797
343.0099 2.838598
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343.9742 1.041327
344.4563 0.6847490
344.9384 2.679236
345.4205 5.982169
345.9026 8.509710
346.3847 8.946045
346.8669 8.278861
347.3490 8.398151
347.8311 10.59002
348.3132 14.14708
348.7953 16.11610
349.2774 15.19869
349.7596 14.68322
350.2417 15.18145
350.7238 16.32188
351.2059 17.87953
351.6880 19.76578
352.1701 21.67362
352.6523 23.14111
353.1344 24.20661
353.6165 24.68493
354.0986 24.17337
354.5807 23.38452
355.0628 22.76892
355.5450 22.32335
356.0271 21.69031
356.5092 20.58494
356.9913 19.01900
357.4734 16.84791
357.9555 12.94527
358.4377 9.737691
358.9198 8.685760
359.4019 9.021720
359.8840 9.116915
360.3661 7.863485
360.8482 5.833295
361.3304 4.891199
361.8125 5.702878
362.2946 6.139211
362.7767 5.293430
363.2588 3.808936
363.7409 2.112607
364.2231 0.2202660
364.7052 1.223601
365.1873 1.093214
365.6694 0.8274510
366.1515 2.320138
366.6336 2.721303
367.1158 2.620847
367.5979 2.400468
368.0800 2.086304
368.5621 1.638402
369.0442 0.7491910
369.5263 0.3807410
370.0085 0.7191000
370.4906 5.2579999E-02
370.9727 1.209956
371.4548 2.527603
371.9369 3.839944
372.4190 4.717918
372.9012 4.406474
373.3833 3.950533
373.8654 5.312849
374.3475 8.770052
374.8296 11.61471
375.3117 12.05134
375.7939 11.26363
376.2760 10.97241
376.7581 11.33945
377.2402 12.18270
377.7223 13.66939
378.2044 15.60947
378.6866 17.10615
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379.6508 18.14643
380.1329 19.29283
380.6150 21.15712
381.0971 22.59755
381.5793 22.49833
382.0614 22.07492
382.5435 23.29889
383.0256 26.46436
383.5077 29.80353
383.9898 31.92753
384.4720 32.96082
384.9541 34.25749
385.4362 36.03518
385.9183 37.91530
386.4004 39.57121
386.8825 41.11113
387.3647 42.96014
387.8468 45.34996
388.3289 48.10570
388.8110 50.85102
389.2931 53.89231
389.7752 56.34415
390.2574 57.35853
390.7395 57.98185
391.2216 59.51912
391.7037 62.13241
392.1858 64.88490
392.6679 66.90056
393.1501 68.05369
393.6322 68.69479
394.1143 69.31232
394.5964 68.99231
395.0785 66.98121
395.5606 63.63406
396.0428 59.74298
396.5249 55.70594
397.0070 51.68265
397.4891 48.04815
397.9712 44.92337
398.4533 42.27601
398.9355 40.14404
399.4176 38.48393
399.8997 37.40889
400.3818 36.95177
400.8639 36.69968
401.3460 36.03023
401.8282 34.57351
402.3103 33.76328
402.7924 33.33055
403.2745 33.59382
403.7566 34.91748
404.2387 37.12074
404.7209 39.68152
405.2030 42.27905
405.6851 44.87435
406.1672 46.91520
406.6493 48.33043
407.1314 49.30658
407.6136 49.63771
408.0957 49.71455
408.5778 49.95280
409.0599 50.49994
409.5420 51.21496
410.0241 52.07492
410.5063 53.25357
410.9884 53.61440
411.4705 52.05537
411.9526 50.39791
412.4347 49.24324
412.9168 48.80426
413.3990 49.58465
413.8811 52.55650
414.3632 57.08567
414.8453 60.89909
415.3274 64.04197
415.8095 66.33839
416.2917 67.18153
416.7738 67.28030
417.2559 67.56539
417.7380 68.41692
418.2201 69.17609
418.7022 68.89822
419.1844 67.74187
419.6665 67.29160
420.1486 68.26276
420.6307 69.81281
421.1128 70.74620
421.5949 71.06230
422.0771 71.82681
422.5592 73.57991
423.0413 75.90241
423.5234 78.28033
424.0055 80.56087
424.4876 82.66018
424.9698 84.54513
425.4519 86.16212
425.9340 87.39864
426.4161 88.58797
426.8982 89.06696
427.3803 88.42779
427.8625 86.84118
428.3446 84.55693
428.8267 81.54873
429.3088 78.21554
429.7909 75.26279
430.2730 72.88311
430.7552 70.48049
431.2373 68.22306
431.7194 65.82664
432.2015 63.04247
432.6836 59.90773
433.1657 56.45897
433.6479 52.54284
434.1300 48.34505
434.6121 46.34603
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