#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:47:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 968 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000428.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_1000428
loop_
_publ_author_name
'Pobedimskaya, E.A.'
'Terenteva, L.E.'
'Kashaev, A.A.'
'Sapozhnikov, A.N.'
'Dorokhova, G.I.'
_publ_section_title
;
 Crystal structure of bystrite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              873
_journal_page_last               878
_journal_volume                  319
_journal_year                    1991
_chemical_compound_source        R060642
_chemical_formula_sum
'Al5.88 Ca0.94 Cl0.48 H0.96 Na6.4 O24.48 S3.54 Si6.12'
_chemical_name_systematic
;
Ca0.94 Na6.4 ((Al5.88 Si6.12) O24) (S3)1.18 (Cl0.48 (H2 O)0.48)
;
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.859
_cell_length_b                   12.859
_cell_length_c                   10.697
_cell_volume                     1531.817
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pobedimskaya_DANKAS_1991_1166.cif
_cod_data_source_block           H0.96Al5.88Ca0.94Cl0.48Na6.4O24.48S3.54Si6.12
_cod_original_cell_volume        1531.818
_cod_original_formula_sum
'H0.96 Al5.88 Ca0.94 Cl0.48 Na6.4 O24.48 S3.54 Si6.12'
_cod_database_code               1536632
_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            R060642.rod
_rod_data_source.block           3500000
_rod_database.code               1000428
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 1536632 COD http://www.crystallography.net/cod/1536632.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
114.772 0.000
115.254 155.077
115.736 128.047
116.218 242.738
116.700 73.603
117.182 48.373
117.664 43.007
118.147 7.653
118.629 102.626
119.111 206.793
119.593 289.380
120.075 359.509
120.557 433.584
121.039 521.785
121.521 610.487
122.004 691.226
122.486 767.124
122.968 818.888
123.450 812.027
123.932 759.252
124.414 701.788
124.896 643.186
125.378 601.076
125.860 605.608
126.343 683.991
126.825 797.910
127.307 922.876
127.789 1056.189
128.271 1133.551
128.753 1034.819
129.235 810.380
129.717 647.313
130.200 636.648
130.682 745.491
131.164 871.587
131.646 1017.662
132.128 1175.846
132.610 1341.334
133.092 1513.719
133.574 1689.807
134.057 1865.453
134.539 2041.251
135.021 2213.934
135.503 2378.756
135.985 2545.041
136.467 2742.759
136.949 2980.601
137.431 3220.320
137.913 3442.935
138.396 3650.578
138.878 3834.115
139.360 3995.387
139.842 4135.016
140.324 4236.567
140.806 4285.829
141.288 4326.104
141.770 4407.183
142.253 4555.066
142.735 4682.257
143.217 4761.411
143.699 4781.175
144.181 4830.919
144.663 4911.334
145.145 5021.229
145.627 5158.737
146.109 5344.389
146.592 5529.357
147.074 5697.993
147.556 5830.382
148.038 5983.438
148.520 6165.099
149.002 6364.084
149.484 6553.366
149.966 6710.443
150.449 6873.042
150.931 7058.315
151.413 7305.459
151.895 7529.530
152.377 7715.483
152.859 7871.413
153.341 8044.207
153.823 8270.445
154.305 8500.131
154.788 8702.407
155.270 8827.046
155.752 8974.130
156.234 9168.494
156.716 9410.615
157.198 9664.750
157.680 9918.649
158.162 10185.021
158.645 10477.331
159.127 10831.198
159.609 11182.615
160.091 11497.634
160.573 11757.692
161.055 12038.584
161.537 12371.140
162.019 12739.012
162.501 13119.105
162.984 13501.375
163.466 13891.351
163.948 14307.975
164.430 14783.095
164.912 15199.729
165.394 15464.967
165.876 15620.979
166.358 15776.393
166.840 15984.620
167.323 16217.359
167.805 16466.568
168.287 16750.836
168.769 17037.816
169.251 17276.217
169.733 17480.160
170.215 17684.951
170.697 17898.881
171.180 18129.314
171.662 18375.027
172.144 18656.281
172.626 18889.088
173.108 19115.572
173.590 19338.260
174.072 19577.473
174.554 19821.455
175.036 20088.045
175.519 20418.584
176.001 20869.926
176.483 21370.123
176.965 21814.689
177.447 22199.963
177.929 22590.014
178.411 23057.414
178.893 23590.750
179.376 24142.469
179.858 24697.389
180.340 25262.881
180.822 25842.711
181.304 26452.545
181.786 27050.684
182.268 27596.668
182.750 28095.324
183.232 28559.826
183.715 29022.506
184.197 29460.605
184.679 29792.725
185.161 29957.859
185.643 30103.914
186.125 30587.102
186.607 31389.928
187.089 32037.264
187.572 32171.592
188.054 31851.287
188.536 31356.449
189.018 30675.004
189.500 29896.613
189.982 29215.965
190.464 28632.924
190.946 28065.178
191.428 27449.572
191.911 26788.383
192.393 26069.061
192.875 25270.143
193.357 24416.514
193.839 23604.029
194.321 22844.906
194.803 22080.973
195.285 21250.580
195.768 20352.266
196.250 19470.691
196.732 18634.291
197.214 17829.598
197.696 17047.232
198.178 16286.581
198.660 15537.264
199.142 14782.741
199.624 14023.972
200.107 13277.695
200.589 12548.562
201.071 11833.057
201.553 11173.464
202.035 10577.288
202.517 10014.128
202.999 9430.580
203.481 8816.114
203.964 8225.743
204.446 7687.834
204.928 7208.479
205.410 6724.544
205.892 6232.851
206.374 5745.006
206.856 5289.750
207.338 4869.731
207.820 4473.492
208.303 4096.665
208.785 3740.095
209.267 3397.255
209.749 3073.265
210.231 2767.823
210.713 2489.251
211.195 2241.418
211.677 2013.874
212.160 1799.609
212.642 1599.620
213.124 1419.638
213.606 1262.790
214.088 1127.569
214.570 1014.544
215.052 935.378
215.534 859.065
216.016 758.615
216.499 615.761
216.981 504.648
217.463 434.481
217.945 402.636
218.427 305.322
218.909 208.122
219.391 111.010
219.873 13.976
220.355 82.950
220.838 179.797
221.320 275.748
221.802 369.673
222.284 461.283
222.766 386.848
223.248 260.878
223.730 151.729
224.212 56.019
224.695 13.469
225.177 46.013
225.659 41.172
226.141 51.933
226.623 95.333
227.105 133.584
227.587 126.016
228.069 48.388
228.551 18.046
229.034 50.882
229.516 46.967
229.998 72.236
230.480 142.250
230.962 225.712
231.444 284.013
231.926 297.396
232.408 311.846
232.891 309.582
233.373 261.583
233.855 201.139
234.337 111.823
234.819 28.986
235.301 47.608
235.783 98.294
236.265 182.854
236.747 254.052
237.230 322.899
237.712 406.385
238.194 454.997
238.676 540.299
239.158 626.131
239.640 754.058
240.122 891.492
240.604 1026.952
241.087 1158.366
241.569 1312.106
242.051 1500.414
242.533 1702.147
243.015 1877.369
243.497 2004.434
243.979 2138.198
244.461 2301.384
244.943 2510.506
245.426 2695.609
245.908 2842.849
246.390 2971.237
246.872 3122.094
247.354 3313.717
247.836 3498.034
248.318 3657.786
248.800 3786.562
249.283 3907.131
249.765 4015.412
250.247 4116.544
250.729 4228.617
251.211 4493.830
251.693 4729.038
252.175 4916.794
252.657 5056.608
253.139 5148.443
253.622 5192.518
254.104 5189.029
254.586 5137.962
255.068 5039.134
255.550 4892.386
256.032 4715.460
256.514 4609.321
256.996 4502.131
257.478 4396.922
257.961 4290.152
258.443 4175.039
258.925 4046.593
259.407 3918.001
259.889 3796.784
260.371 3683.187
260.853 3568.812
261.335 3447.153
261.818 3326.901
262.300 3241.171
262.782 3202.640
263.264 3168.157
263.746 3111.833
264.228 3021.355
264.710 2952.794
265.192 2911.586
265.674 2891.616
266.157 2881.873
266.639 2887.712
267.121 2891.628
267.603 2887.225
268.085 2875.986
268.567 2848.325
269.049 2798.213
269.531 2735.276
270.013 2687.233
270.496 2664.651
270.978 2627.118
271.460 2554.325
271.942 2442.577
272.424 2311.304
272.906 2158.713
273.388 1989.474
273.871 1812.314
274.353 1623.572
274.835 1448.095
275.317 1303.912
275.799 1192.993
276.281 1077.954
276.763 952.796
277.245 827.174
277.727 722.653
278.210 635.617
278.692 555.418
279.174 476.772
279.656 399.430
280.138 320.519
280.620 247.354
281.102 185.490
281.584 140.021
282.066 109.714
282.549 90.251
283.031 88.347
283.513 88.441
283.995 100.425
284.477 130.563
284.959 165.983
285.441 177.593
285.923 162.015
286.405 148.955
286.888 161.312
287.370 197.994
287.852 229.127
288.334 252.238
288.816 256.521
289.298 220.361
289.780 149.747
290.263 81.999
290.745 40.749
291.227 23.413
291.709 8.220
292.191 4.113
292.673 13.014
293.155 16.466
293.637 18.655
294.119 26.223
294.602 22.818
295.084 14.937
295.566 19.881
296.048 14.810
296.530 13.821
297.012 16.187
297.494 10.653
297.976 25.890
298.458 39.067
298.941 40.946
299.423 51.138
299.905 68.300
300.387 90.228
300.869 121.753
301.351 160.236
301.833 196.631
302.315 223.963
302.797 247.428
303.280 270.689
303.762 295.426
304.244 319.966
304.726 340.156
305.208 357.231
305.690 374.764
306.172 392.334
306.654 412.127
307.137 440.832
307.619 480.531
308.101 512.125
308.583 514.077
309.065 500.445
309.547 491.608
310.029 502.834
310.511 516.815
310.993 519.617
311.476 515.041
311.958 514.546
312.440 520.920
312.922 534.119
313.404 553.878
313.886 592.152
314.368 627.533
314.850 646.005
315.333 647.555
315.815 648.391
316.297 655.664
316.779 665.851
317.261 672.067
317.743 677.540
318.225 682.923
318.707 689.826
319.190 697.081
319.672 698.001
320.154 677.288
320.636 657.949
321.118 654.904
321.600 683.204
322.082 712.805
322.564 737.280
323.046 757.813
323.529 778.320
324.011 805.040
324.493 827.400
324.975 840.381
325.457 843.102
325.939 836.606
326.421 804.906
326.903 762.790
327.385 748.577
327.868 799.111
328.350 847.294
328.832 865.487
329.314 812.481
329.796 813.214
330.278 784.193
330.760 801.437
331.242 807.176
331.724 802.002
332.207 753.957
332.689 760.783
333.171 745.309
333.653 728.710
334.135 742.625
334.617 699.704
335.099 712.712
335.582 698.988
336.064 679.706
336.546 666.343
337.028 658.194
337.510 648.101
337.992 635.186
338.474 620.951
338.956 608.778
339.438 601.718
339.921 583.513
340.403 546.502
340.885 495.392
341.367 458.466
341.849 437.908
342.331 421.999
342.813 398.721
343.295 369.273
343.777 346.131
344.260 335.547
344.742 329.420
345.224 302.356
345.706 253.139
346.188 204.771
346.670 181.796
347.152 180.374
347.634 171.568
348.116 143.311
348.599 111.849
349.081 111.404
349.563 138.271
350.045 162.949
350.527 163.729
351.009 148.565
351.491 132.774
351.973 116.864
352.456 105.549
352.938 107.055
353.420 114.388
353.902 114.053
354.384 107.251
354.866 92.705
355.348 68.268
355.830 34.170
356.312 4.685
356.795 53.488
357.277 63.013
357.759 35.827
358.241 58.220
358.723 82.806
359.205 68.670
359.687 13.200
360.169 27.585
360.652 9.039
361.134 31.937
361.616 56.736
362.098 34.714
362.580 11.689
363.062 9.185
363.544 24.386
364.026 28.271
364.509 4.820
364.991 41.464
365.473 59.271
365.955 31.710
366.437 12.016
366.919 20.135
367.401 45.287
367.883 45.161
368.365 15.591
368.848 76.921
369.330 112.590
369.812 107.251
370.294 104.004
370.776 99.998
371.258 99.066
371.740 110.999
372.222 117.825
372.704 92.051
373.187 96.443
373.669 132.990
374.151 140.531
374.633 58.592
375.115 46.985
375.597 91.063
376.079 54.416
376.561 22.337
377.043 18.499
377.526 40.270
378.008 63.051
378.490 86.674
378.972 111.602
379.454 139.535
379.936 171.028
380.418 201.096
380.901 231.424
381.383 258.582
381.865 270.175
382.347 265.999
382.829 266.055
383.311 282.856
383.793 315.536
384.275 361.553
384.757 424.813
385.240 492.673
385.722 543.189
386.204 582.351
386.686 630.843
387.168 707.785
387.650 797.978
388.132 884.896
388.614 968.150
389.096 1034.061
389.579 1054.182
390.061 1050.145
390.543 1058.531
391.025 1109.483
391.507 1167.012
391.989 1209.828
392.471 1237.495
392.953 1257.197
393.435 1253.869
393.918 1253.149
394.400 1278.373
394.882 1367.994
395.364 1451.078
395.846 1500.061
396.328 1523.908
396.810 1560.892
397.292 1627.388
397.775 1702.688
398.257 1777.062
398.739 1850.582
399.221 1918.889
399.703 1959.081
400.185 1996.804
400.667 2085.055
401.149 2261.753
401.632 2440.486
402.114 2591.033
402.596 2703.552
403.078 2842.638
403.560 3020.445
404.042 3214.097
404.524 3390.951
405.006 3542.983
405.488 3709.719
405.971 3897.189
406.453 4107.628
406.935 4355.031
407.417 4650.064
407.899 4948.030
408.381 5205.873
408.863 5426.574
409.345 5675.688
409.828 5961.589
410.310 6279.368
410.792 6623.837
411.274 6995.295
411.756 7358.818
412.238 7681.956
412.720 7988.390
413.202 8326.138
413.684 8702.520
414.167 9101.188
414.649 9498.190
415.131 9899.679
415.613 10311.288
416.095 10723.993
416.577 11147.239
417.059 11570.838
417.541 12001.768
418.023 12481.435
418.506 13058.138
418.988 13683.651
419.470 14325.802
419.952 15021.389
420.434 15668.204
420.916 16234.135
421.398 16716.988
421.880 17099.580
422.362 17312.916
422.845 17483.533
423.327 17670.953
423.809 17862.463
424.291 18109.598
424.773 18458.953
425.255 18852.883
425.737 19207.297
426.220 19469.242
426.702 19769.043
427.184 20149.828
427.666 20622.619
428.148 21065.781
428.630 21443.098
429.112 21837.650
429.594 22335.949
430.076 22963.223
430.559 23586.006
431.041 24166.887
431.523 24740.496
432.005 25408.670
432.487 26182.480
432.969 27011.934
433.451 27865.734
433.933 28746.246
434.415 29668.605
434.898 30618.154
435.380 31624.258
435.862 32715.738
436.344 33883.660
436.826 35090.391
437.308 36345.656
437.790 37624.941
438.272 38859.230
438.754 40056.727
439.237 41283.980
439.719 42624.684
440.201 44011.824
440.683 45360.598
441.165 46632.004
441.647 47879.410
442.129 49180.359
442.612 50476.184
443.094 51670.281
443.576 52748.133
444.058 53691.469
444.540 54492.535
445.022 55152.871
445.504 55664.895
445.986 56028.766
446.468 56238.660
446.951 56290.133
447.433 56202.734
447.915 55934.367
448.397 55467.785
448.879 54805.426
449.361 54001.777
449.843 53059.148
450.325 51984.164
450.807 50766.570
451.290 49412.898
451.772 47934.898
452.254 46328.516
452.736 44601.234
453.218 42726.895
453.700 40691.336
454.182 38542.570
454.664 36277.941
455.147 33918.230
455.629 31508.215
456.111 29031.031
456.593 26560.068
457.075 24081.996
457.557 21638.465
458.039 19326.107
458.521 17161.541
459.003 15156.345
459.486 13371.583
459.968 11801.725
460.450 10376.611
460.932 9078.888
461.414 7906.915
461.896 6873.884
462.378 5998.235
462.860 5246.038
463.342 4663.090
463.825 4186.927
464.307 3735.762
464.789 3256.769
465.271 2830.957
465.753 2494.460
466.235 2256.121
466.717 2047.066
467.199 1859.603
467.681 1694.124
468.164 1553.846
468.646 1463.177
469.128 1360.161
469.610 1224.980
470.092 1078.251
470.574 972.139
471.056 910.607
471.539 874.570
472.021 864.356
472.503 881.647
472.985 859.958
473.467 796.259
473.949 695.485
474.431 548.646
474.913 361.899
475.395 195.129
475.878 61.480
476.360 45.765
476.842 137.912
477.324 212.052
477.806 244.707
478.288 239.043
478.770 195.847
479.252 171.313
479.734 173.046
480.217 178.075
480.699 180.641
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