#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:23:22 +0300 (Thu, 24 May 2018) $
#$Revision: 701 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000211.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_1000211
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 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            R060201.rod
_rod_data_source.block           3500000
_rod_database.code               1000211
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
137.3971 0.0000000E+00
137.8792 3.603850
138.3613 0.4937460
138.8434 4.425716
139.3255 13.32606
139.8077 25.19026
140.2898 39.96646
140.7719 56.60080
141.2540 72.21999
141.7361 86.52811
142.2182 99.18050
142.7004 109.6453
143.1825 117.1863
143.6646 123.2463
144.1467 127.9338
144.6288 131.2994
145.1109 132.8732
145.5931 132.4252
146.0752 130.4809
146.5573 127.5191
147.0394 122.4437
147.5215 117.5463
148.0036 113.5072
148.4858 110.5746
148.9679 107.0339
149.4500 103.1643
149.9321 98.58072
150.4142 92.82345
150.8963 83.63840
151.3785 75.58430
151.8606 70.07668
152.3427 67.78836
152.8248 65.94814
153.3069 64.18031
153.7890 63.39465
154.2712 63.14436
154.7533 61.26328
155.2354 62.45302
155.7175 65.37856
156.1996 68.97890
156.6817 72.37807
157.1639 74.38014
157.6460 75.83215
158.1281 77.28102
158.6102 78.26001
159.0923 79.20147
159.5744 80.60338
160.0566 84.43559
160.5387 85.75336
161.0208 82.18661
161.5029 74.94524
161.9850 67.48957
162.4671 61.61615
162.9493 55.60938
163.4314 48.29533
163.9135 39.21186
164.3956 31.53452
164.8777 25.46541
165.3598 19.55993
165.8420 14.45115
166.3241 9.520908
166.8062 5.116414
167.2883 2.284749
167.7704 2.289694
168.2525 2.704850
168.7346 1.893121
169.2168 0.3522260
169.6989 0.8746500
170.1810 1.647895
170.6631 2.629611
171.1452 1.797019
171.6273 0.5669750
172.1095 0.9747520
172.5916 3.646128
173.0737 2.297792
173.5558 0.7924470
174.0379 2.154735
174.5201 1.984979
175.0022 1.251272
175.4843 8.7069999E-03
175.9664 2.457236
176.4485 1.943549
176.9306 0.2274350
177.4128 3.240672
177.8949 3.485971
178.3770 2.653820
178.8591 2.910781
179.3412 5.781646
179.8233 10.00784
180.3055 13.82874
180.7876 17.29667
181.2697 20.13900
181.7518 21.67745
182.2339 22.29184
182.7160 23.27436
183.1982 25.87692
183.6803 29.13155
184.1624 30.63801
184.6445 30.20986
185.1266 29.18214
185.6087 29.66174
186.0909 31.19307
186.5730 31.25900
187.0551 28.11681
187.5372 22.60078
188.0193 17.21914
188.5014 11.94421
188.9836 7.080926
189.4657 3.161948
189.9478 0.1195430
190.4299 3.152436
190.9120 0.2623270
191.3941 0.3331830
191.8763 3.306557
192.3584 3.114236
192.8405 2.200879
193.3226 0.9515540
193.8047 0.6391710
194.2868 1.837394
194.7690 2.189494
195.2511 1.530550
195.7332 0.7361310
196.2153 3.3202000E-02
196.6974 0.8300740
197.1795 1.847033
197.6617 3.098718
198.1438 4.431299
198.6259 3.937848
199.1080 2.353806
199.5901 1.226490
200.0722 0.7329580
200.5544 0.4496970
201.0365 0.3131370
201.5186 1.549198
202.0007 1.841112
202.4828 0.7241550
202.9649 4.187726
203.4471 2.912911
203.9292 1.267221
204.4113 0.3612210
204.8934 0.2278340
205.3755 0.4565430
205.8576 0.5201930
206.3398 0.4412850
206.8219 0.1704920
207.3040 9.5264003E-02
207.7861 0.2612860
208.2682 0.5947230
208.7503 0.9801090
209.2325 1.465692
209.7146 1.855879
210.1967 2.354317
210.6788 3.342265
211.1609 2.421343
211.6430 1.127034
212.1252 3.518204
212.6073 0.1411950
213.0894 1.454497
213.5715 4.2994998E-02
214.0536 0.8127220
214.5357 1.183847
215.0179 0.5795630
215.5000 1.299325
215.9821 0.2733530
216.4642 2.593057
216.9463 4.306753
217.4284 3.696362
217.9105 1.287678
218.3927 1.787303
218.8748 4.864487
219.3569 7.619413
219.8390 10.54796
220.3211 14.96970
220.8032 21.62653
221.2854 28.42207
221.7675 34.52331
222.2496 39.42888
222.7317 45.00491
223.2138 51.56182
223.6959 58.61805
224.1781 65.22868
224.6602 70.90067
225.1423 76.92283
225.6244 83.86774
226.1065 92.54271
226.5886 100.0254
227.0708 106.1704
227.5529 111.2008
228.0350 115.6405
228.5171 119.1888
228.9992 122.7877
229.4813 126.9789
229.9635 132.2936
230.4456 135.9753
230.9277 137.3348
231.4098 137.6507
231.8919 139.3331
232.3740 143.3242
232.8562 147.4394
233.3383 150.9097
233.8204 153.4416
234.3025 156.2093
234.7846 159.4212
235.2667 162.6528
235.7489 165.5688
236.2310 168.2843
236.7131 170.4988
237.1952 172.2490
237.6773 173.6828
238.1594 173.8498
238.6416 171.8990
239.1237 169.1971
239.6058 168.0527
240.0879 169.4883
240.5700 170.8186
241.0521 171.1606
241.5343 170.2513
242.0164 169.4391
242.4985 168.5343
242.9806 167.8462
243.4627 167.9485
243.9448 169.5676
244.4270 170.6980
244.9091 170.5032
245.3912 168.5075
245.8733 167.7390
246.3554 168.5623
246.8375 170.2982
247.3197 172.0282
247.8018 173.4631
248.2839 175.1334
248.7660 177.1937
249.2481 179.4572
249.7302 182.6831
250.2124 187.3062
250.6945 192.9414
251.1766 199.2972
251.6587 206.5768
252.1408 214.0721
252.6229 221.7755
253.1051 229.8581
253.5872 237.8216
254.0693 245.9689
254.5514 253.7981
255.0335 260.7041
255.5156 265.9628
255.9978 271.8786
256.4799 279.2484
256.9620 288.0851
257.4441 295.3416
257.9262 301.2351
258.4083 305.1977
258.8904 306.7057
259.3726 305.7631
259.8547 302.3583
260.3368 296.4124
260.8189 287.8431
261.3010 277.8754
261.7831 266.1400
262.2653 253.3559
262.7474 239.8120
263.2295 224.2929
263.7116 211.1373
264.1937 201.1691
264.6758 194.0416
265.1580 187.3707
265.6401 181.2671
266.1222 176.1990
266.6043 173.0018
267.0864 171.4324
267.5685 171.9446
268.0507 175.3417
268.5328 180.8390
269.0149 185.5485
269.4970 189.1783
269.9791 192.0923
270.4612 195.1553
270.9434 198.5955
271.4255 200.7890
271.9076 201.5121
272.3897 201.0674
272.8718 200.1636
273.3539 198.7647
273.8361 197.2332
274.3182 195.4303
274.8003 193.1844
275.2824 191.4040
275.7645 190.1484
276.2466 189.3979
276.7288 189.1523
277.2109 189.2490
277.6930 189.7022
278.1751 190.1620
278.6572 190.7630
279.1393 193.2971
279.6215 197.6660
280.1036 203.7228
280.5857 211.7510
281.0678 222.0647
281.5499 233.3934
282.0320 244.4371
282.5142 255.2855
282.9963 269.0031
283.4784 286.2524
283.9605 304.5949
284.4426 321.1981
284.9247 336.0488
285.4069 349.9969
285.8890 363.6268
286.3711 376.5478
286.8532 387.4926
287.3353 396.4297
287.8174 403.5953
288.2996 409.5756
288.7817 414.2674
289.2638 415.8573
289.7459 413.3332
290.2280 407.6488
290.7101 401.4723
291.1923 394.8321
291.6744 386.7397
292.1565 375.9430
292.6386 362.7555
293.1207 348.6068
293.6028 333.2226
294.0850 317.6741
294.5671 303.1534
295.0492 289.6631
295.5313 277.3081
296.0134 266.2160
296.4955 256.3789
296.9777 248.0036
297.4598 241.3514
297.9419 235.8190
298.4240 231.0553
298.9061 226.9398
299.3882 222.7222
299.8704 218.3287
300.3525 213.4922
300.8346 207.4320
301.3167 199.9478
301.7988 191.9550
302.2809 184.5888
302.7631 177.5550
303.2452 169.7319
303.7273 160.3753
304.2094 150.0175
304.6915 139.5593
305.1736 128.9787
305.6558 117.9994
306.1379 105.6611
306.6200 92.76021
307.1021 80.84598
307.5842 71.06860
308.0663 62.15976
308.5485 52.38765
309.0306 41.84360
309.5127 32.36525
309.9948 25.55369
310.4769 20.45292
310.9590 15.86652
311.4412 11.20588
311.9233 7.063757
312.4054 3.649293
312.8875 1.000238
313.3696 0.5322670
313.8517 0.2880300
314.3339 0.9221780
314.8160 2.396252
315.2981 3.757516
315.7802 5.681009
316.2623 8.972226
316.7444 13.14179
317.2266 16.94146
317.7087 20.17652
318.1908 22.61252
318.6729 24.12940
319.1550 24.65870
319.6371 24.39857
320.1193 23.87336
320.6014 22.53945
321.0835 19.48642
321.5656 13.29732
322.0477 6.313284
322.5298 0.8012040
323.0120 7.637105
323.4941 1.037871
323.9762 5.136653
324.4583 4.921568
324.9404 0.9718660
325.4225 0.7844930
325.9047 2.018488
326.3868 3.079945
326.8689 3.997512
327.3510 4.501577
327.8331 4.034213
328.3152 3.458624
328.7974 3.370448
329.2795 4.187370
329.7616 5.003739
330.2437 5.723809
330.7258 6.377470
331.2079 7.152131
331.6901 8.301001
332.1722 8.836771
332.6543 8.303782
333.1364 7.792066
333.6185 8.136087
334.1006 9.344434
334.5828 7.750916
335.0649 4.994157
335.5470 0.7655210
336.0291 3.432645
336.5112 6.858999
336.9933 7.483549
337.4755 4.352647
337.9576 0.3335010
338.4397 4.330689
338.9218 9.363955
339.4039 6.816264
339.8860 1.107109
340.3681 5.495338
340.8503 12.96161
341.3324 19.75174
341.8145 25.60844
342.2966 31.76177
342.7787 39.38720
343.2608 48.41162
343.7430 59.01666
344.2251 71.29919
344.7072 85.06369
345.1893 99.45998
345.6714 114.6386
346.1535 130.2155
346.6357 145.7405
347.1178 161.3683
347.5999 178.4023
348.0820 197.7617
348.5641 217.0698
349.0462 232.7946
349.5284 245.1697
350.0105 256.5551
350.4926 269.6462
350.9747 282.4390
351.4568 290.4468
351.9389 293.3781
352.4211 292.5232
352.9032 288.6204
353.3853 281.8850
353.8674 272.8070
354.3495 260.6613
354.8316 246.8590
355.3138 232.7389
355.7959 218.3298
356.2780 203.9564
356.7601 189.0370
357.2422 174.4165
357.7243 160.9356
358.2065 148.5102
358.6886 138.0034
359.1707 130.4181
359.6528 125.3369
360.1349 121.5077
360.6170 118.8002
361.0992 116.7982
361.5813 115.1650
362.0634 113.7693
362.5455 113.0505
363.0276 113.5229
363.5097 114.7093
363.9919 115.9023
364.4740 116.1094
364.9561 116.9836
365.4382 119.3774
365.9203 123.4582
366.4024 127.5373
366.8846 131.2624
367.3667 134.8925
367.8488 138.6391
368.3309 142.4737
368.8130 146.4930
369.2951 150.5689
369.7773 154.8101
370.2594 159.7315
370.7415 165.5892
371.2236 171.8278
371.7057 178.4200
372.1878 185.6303
372.6700 192.8054
373.1521 199.5360
373.6342 206.3253
374.1163 214.2215
374.5984 223.7238
375.0805 233.2425
375.5627 242.5051
376.0448 251.6071
376.5269 259.3962
377.0090 265.3792
377.4911 271.0087
377.9732 278.5332
378.4554 288.5087
378.9375 296.3783
379.4196 300.8753
379.9017 302.7438
380.3838 304.2644
380.8659 304.8650
381.3481 306.4469
381.8302 309.7064
382.3123 314.6820
382.7944 321.1082
383.2765 329.0229
383.7586 337.8950
384.2408 346.7384
384.7229 355.7071
385.2050 366.3236
385.6871 379.1900
386.1692 394.1361
386.6513 411.4550
387.1335 430.9639
387.6156 452.4368
388.0977 476.0474
388.5798 501.1142
389.0619 526.8199
389.5440 553.0947
390.0262 579.3359
390.5083 606.9848
390.9904 635.2537
391.4725 659.3012
391.9546 678.0137
392.4367 690.4246
392.9189 696.1884
393.4010 696.0053
393.8831 686.7372
394.3652 663.9859
394.8473 631.8381
395.3294 596.8079
395.8116 556.6023
396.2937 518.0588
396.7758 483.2630
397.2579 452.4210
397.7400 427.1923
398.2221 408.5165
398.7043 394.9735
399.1864 385.6455
399.6685 381.4148
400.1506 380.0983
400.6327 381.7348
401.1148 386.1578
401.5970 392.7850
402.0791 402.8496
402.5612 413.9194
403.0433 424.9938
403.5254 436.4986
404.0075 446.8312
404.4897 456.0467
404.9718 463.9278
405.4539 470.1519
405.9360 474.7615
406.4181 477.8612
406.9002 479.3467
407.3824 479.3249
407.8645 478.5360
408.3466 476.8920
408.8287 474.7066
409.3108 472.0630
409.7929 469.0288
410.2751 466.7834
410.7572 465.3337
411.2393 464.9331
411.7214 466.1673
412.2035 468.9665
412.6856 472.8676
413.1678 477.2491
413.6499 482.6091
414.1320 490.1488
414.6141 499.8796
415.0962 510.7934
415.5783 523.0779
416.0605 536.0093
416.5426 547.9955
417.0247 557.9305
417.5068 568.0677
417.9889 580.3038
418.4710 594.6522
418.9532 608.9769
419.4353 621.9547
419.9174 634.3859
420.3995 646.8260
420.8816 659.8378
421.3637 671.9475
421.8459 683.3298
422.3280 693.2432
422.8101 700.7032
423.2922 705.0583
423.7743 707.1725
424.2564 707.2994
424.7386 705.4829
425.2207 701.3607
425.7028 694.4207
426.1849 685.4916
426.6670 675.2000
427.1491 664.7437
427.6313 651.0361
428.1134 632.9011
428.5955 611.7183
429.0776 591.2141
429.5597 571.3292
430.0418 551.7349
430.5240 531.8741
431.0061 511.6893
431.4882 493.0820
431.9703 476.3707
432.4524 460.7800
432.9345 445.3643
433.4167 430.1543
433.8988 415.7696
434.3809 402.5179
434.8630 390.3712
435.3451 380.0030
435.8272 371.3422
436.3094 362.3344
436.7915 351.9863
437.2736 340.1905
437.7557 326.6093
438.2378 310.9621
438.7199 294.6872
439.2020 279.0046
439.6841 263.7783
440.1663 248.7276
440.6484 234.1468
441.1305 219.3290
441.6126 203.2358
442.0947 186.1548
442.5768 170.2918
443.0590 157.6705
443.5411 146.2118
444.0232 134.2633
444.5053 121.1609
444.9874 108.2672
445.4695 95.54810
445.9517 83.53685
446.4338 72.95700
446.9159 64.70660
447.3980 57.12206
447.8801 49.87796
448.3622 42.91545
448.8444 36.45124
449.3265 30.79936
449.8086 25.35365
450.2907 19.61094
450.7728 12.81369
451.2549 7.357306
451.7371 3.716998
452.2192 1.322838
452.7013 1.077169
453.1834 3.607596
453.6655 5.586539
454.1476 6.596357
454.6298 6.716069
455.1119 6.663255
455.5940 6.303632
456.0761 6.482345
456.5582 8.564011
457.0403 6.739124
457.5225 4.037804
458.0046 3.263570
458.4867 3.021484
458.9688 1.053141
459.4509 2.266425
459.9330 5.273637
460.4152 6.650547
460.8973 7.456713
461.3794 7.104215
461.8615 4.549656
462.3436 2.133513
462.8257 0.5838800
463.3079 0.5067840
463.7900 1.589717
464.2721 2.673322
464.7542 3.948256
465.2363 5.825441
465.7184 7.995576
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