#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:54 +0300 (Thu, 24 May 2018) $
#$Revision: 743 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000247.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_1000247
loop_
_publ_author_name
'Cannillo, E.'
'Dal Negro, A.'
'Ungaretti, L.'
_publ_section_title
;
 The crystal structure of ezcurrite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              110
_journal_page_last               115
_journal_volume                  58
_journal_year                    1973
_chemical_compound_source        R060645
_chemical_formula_sum            'B5 H5 Na2 O12'
_chemical_name_mineral           Ezcurrite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.75
_cell_angle_beta                 107.50
_cell_angle_gamma                71.52
_cell_length_a                   8.598
_cell_length_b                   9.570
_cell_length_c                   6.576
_cell_volume                     484.714
_exptl_crystal_density_diffrn    2.035
_cod_original_cell_volume        484.713
_cod_original_formula_sum        'Na2 B5 H5 O12'
_cod_database_code               9000295
_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            R060645.rod
_rod_data_source.block           3500000
_rod_database.code               1000247
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 9000295 COD http://www.crystallography.net/cod/9000295.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
112.843 0.000
113.326 104.205
113.808 143.764
114.290 11.871
114.772 24.513
115.254 38.823
115.736 148.404
116.218 311.660
116.700 531.626
117.182 824.490
117.664 1152.297
118.147 1501.655
118.629 1876.764
119.111 2251.146
119.593 2603.080
120.075 2940.308
120.557 3274.200
121.039 3621.919
121.521 3960.462
122.004 4270.488
122.486 4547.444
122.968 4797.416
123.450 5018.113
123.932 5213.583
124.414 5386.398
124.896 5529.766
125.378 5653.323
125.860 5771.013
126.343 5887.556
126.825 6000.526
127.307 6108.122
127.789 6209.300
128.271 6302.890
128.753 6386.062
129.235 6459.938
129.717 6529.595
130.200 6600.674
130.682 6670.184
131.164 6732.393
131.646 6790.857
132.128 6830.307
132.610 6823.724
133.092 6771.205
133.574 6703.484
134.057 6633.782
134.539 6561.482
135.021 6487.544
135.503 6411.873
135.985 6333.847
136.467 6251.466
136.949 6163.528
137.431 6070.583
137.913 5975.780
138.396 5881.830
138.878 5769.282
139.360 5640.734
139.842 5491.018
140.324 5288.658
140.806 5013.283
141.288 4715.153
141.770 4436.578
142.253 4179.207
142.735 3936.214
143.217 3705.419
143.699 3489.319
144.181 3274.740
144.663 3054.519
145.145 2839.604
145.627 2652.483
146.109 2512.681
146.592 2403.650
147.074 2304.969
147.556 2205.608
148.038 2109.319
148.520 2012.647
149.002 1926.136
149.484 1852.759
149.966 1822.229
150.449 1817.102
150.931 1814.307
151.413 1807.487
151.895 1801.894
152.377 1800.003
152.859 1800.768
153.341 1806.424
153.823 1837.642
154.305 1862.226
154.788 1857.497
155.270 1765.942
155.752 1706.220
156.234 1721.298
156.716 1807.290
157.198 1874.649
157.680 1882.831
158.162 1866.638
158.645 1866.404
159.127 1903.946
159.609 1927.371
160.091 1923.008
160.573 1887.444
161.055 1856.740
161.537 1856.373
162.019 1867.281
162.501 1859.139
162.984 1795.362
163.466 1725.047
163.948 1672.619
164.430 1635.925
164.912 1633.652
165.394 1585.884
165.876 1582.945
166.358 1569.064
166.840 1544.844
167.323 1479.405
167.805 1467.094
168.287 1438.348
168.769 1357.764
169.251 1279.229
169.733 1202.968
170.215 1129.219
170.697 1057.508
171.180 987.062
171.662 905.332
172.144 795.481
172.626 684.903
173.108 594.955
173.590 524.220
174.072 459.827
174.554 391.922
175.036 323.470
175.519 260.734
176.001 208.027
176.483 161.405
176.965 116.031
177.447 71.246
177.929 27.330
178.411 15.775
178.893 58.596
179.376 101.458
179.858 145.138
180.340 189.880
180.822 199.621
181.304 137.596
181.786 83.828
182.268 67.288
182.750 81.413
183.232 87.471
183.715 45.447
184.197 24.108
184.679 55.720
185.161 29.981
185.643 15.228
186.125 13.652
186.607 33.000
187.089 83.738
187.572 115.816
188.054 129.580
188.536 121.840
189.018 83.256
189.500 30.805
189.982 4.361
190.464 4.888
190.946 13.702
191.428 19.042
191.911 20.524
192.393 13.181
192.875 8.568
193.357 38.964
193.839 54.661
194.321 53.321
194.803 49.843
195.285 64.536
195.768 98.113
196.250 105.929
196.732 104.292
197.214 90.102
197.696 72.945
198.178 64.383
198.660 63.844
199.142 74.899
199.624 90.035
200.107 67.012
200.589 58.791
201.071 65.544
201.553 75.438
202.035 76.742
202.517 57.600
202.999 46.460
203.481 43.092
203.964 48.125
204.446 63.703
204.928 54.324
205.410 24.386
205.892 6.192
206.374 34.609
206.856 53.430
207.338 59.627
207.820 65.439
208.303 76.501
208.785 93.359
209.267 113.883
209.749 139.209
210.231 167.436
210.713 191.430
211.195 208.053
211.677 228.641
212.160 258.697
212.642 297.123
213.124 349.828
213.606 419.784
214.088 503.879
214.570 587.832
215.052 666.699
215.534 752.995
216.016 857.902
216.499 988.619
216.981 1112.883
217.463 1225.543
217.945 1327.958
218.427 1432.118
218.909 1536.940
219.391 1645.780
219.873 1764.193
220.355 1899.406
220.838 2026.811
221.320 2143.525
221.802 2248.292
222.284 2352.965
222.766 2465.162
223.248 2568.385
223.730 2646.589
224.212 2684.574
224.695 2731.176
225.177 2805.597
225.659 2910.503
226.141 2965.490
226.623 2958.790
227.105 2916.007
227.587 2861.952
228.069 2795.493
228.551 2718.541
229.034 2629.120
229.516 2526.161
229.998 2419.702
230.480 2304.928
230.962 2188.444
231.444 2079.410
231.926 1985.911
232.408 1882.628
232.891 1758.018
233.373 1603.273
233.855 1475.134
234.337 1383.243
234.819 1309.938
235.301 1230.748
235.783 1142.349
236.265 1054.372
236.747 967.761
237.230 882.137
237.712 795.302
238.194 701.870
238.676 613.450
239.158 549.961
239.640 521.753
240.122 499.681
240.604 475.480
241.087 448.529
241.569 422.832
242.051 398.576
242.533 372.608
243.015 342.411
243.497 320.026
243.979 312.033
244.461 298.590
244.943 278.883
245.426 244.070
245.908 225.613
246.390 200.788
246.872 181.668
247.354 167.267
247.836 151.769
248.318 143.752
248.800 147.500
249.283 145.210
249.765 134.548
250.247 119.378
250.729 107.612
251.211 102.803
251.693 95.710
252.175 81.194
252.657 52.538
253.139 36.429
253.622 38.548
254.104 52.024
254.586 58.085
255.068 53.050
255.550 46.895
256.032 43.152
256.514 41.534
256.996 43.573
257.478 51.500
257.961 64.736
258.443 75.251
258.925 81.721
259.407 82.271
259.889 74.595
260.371 55.465
260.853 42.274
261.335 35.432
261.818 34.317
262.300 37.217
262.782 46.693
263.264 62.726
263.746 87.272
264.228 124.082
264.710 148.229
265.192 150.379
265.674 142.781
266.157 158.162
266.639 202.771
267.121 255.238
267.603 305.019
268.085 351.103
268.567 401.455
269.049 458.840
269.531 519.703
270.013 573.744
270.496 616.974
270.978 665.518
271.460 730.969
271.942 818.809
272.424 893.049
272.906 943.958
273.388 988.085
273.871 1065.319
274.353 1180.751
274.835 1307.141
275.317 1428.448
275.799 1543.835
276.281 1675.309
276.763 1830.480
277.245 1994.553
277.727 2133.390
278.210 2244.522
278.692 2350.418
279.174 2459.923
279.656 2572.573
280.138 2700.882
280.620 2848.083
281.102 3006.948
281.584 3169.814
282.066 3339.470
282.549 3492.225
283.031 3616.127
283.513 3711.728
283.995 3790.903
284.477 3852.741
284.959 3901.484
285.441 3948.093
285.923 3993.204
286.405 4019.342
286.888 4017.292
287.370 3988.189
287.852 3937.459
288.334 3864.215
288.816 3772.406
289.298 3663.727
289.780 3538.691
290.263 3413.379
290.745 3303.338
291.227 3201.887
291.709 3082.163
292.191 2942.176
292.673 2790.342
293.155 2634.936
293.637 2476.023
294.119 2320.187
294.602 2165.786
295.084 2016.555
295.566 1876.625
296.048 1747.073
296.530 1630.208
297.012 1531.736
297.494 1450.443
297.976 1377.320
298.458 1304.274
298.941 1240.893
299.423 1205.987
299.905 1201.154
300.387 1215.508
300.869 1244.360
301.351 1283.347
301.833 1320.985
302.315 1341.085
302.797 1361.240
303.280 1400.650
303.762 1459.058
304.244 1538.281
304.726 1655.503
305.208 1794.187
305.690 1922.136
306.172 2005.639
306.654 2085.174
307.137 2209.826
307.619 2380.781
308.101 2548.490
308.583 2672.306
309.065 2772.235
309.547 2879.147
310.029 3014.807
310.511 3153.339
310.993 3280.037
311.476 3394.715
311.958 3501.664
312.440 3621.165
312.922 3730.706
313.404 3804.782
313.886 3811.360
314.368 3798.688
314.850 3800.496
315.333 3813.865
315.815 3793.350
316.297 3702.630
316.779 3577.403
317.261 3447.962
317.743 3318.123
318.225 3187.874
318.707 3061.938
319.190 2937.759
319.672 2804.941
320.154 2648.144
320.636 2489.224
321.118 2340.933
321.600 2182.740
322.082 2063.260
322.564 2010.672
323.046 2009.040
323.529 2005.468
324.011 1981.443
324.493 1959.786
324.975 1950.075
325.457 1939.028
325.939 1960.988
326.421 2036.600
326.903 2148.193
327.385 2251.408
327.868 2329.515
328.350 2410.494
328.832 2502.163
329.314 2600.117
329.796 2718.175
330.278 2874.672
330.760 3045.816
331.242 3193.038
331.724 3296.090
332.207 3402.258
332.689 3534.226
333.171 3709.376
333.653 3837.847
334.135 3911.276
334.617 3944.226
335.099 3958.833
335.582 3961.400
336.064 3932.319
336.546 3863.271
337.028 3752.205
337.510 3623.742
337.992 3472.339
338.474 3308.990
338.956 3149.580
339.438 2991.981
339.921 2835.991
340.403 2675.652
340.885 2515.297
341.367 2379.001
341.849 2271.845
342.331 2174.970
342.813 2076.373
343.295 1974.891
343.777 1870.119
344.260 1760.091
344.742 1647.501
345.224 1538.397
345.706 1434.647
346.188 1325.349
346.670 1193.503
347.152 1048.029
347.634 923.528
348.116 832.356
348.599 757.570
349.081 666.900
349.563 563.524
350.045 466.778
350.527 386.215
351.009 320.226
351.491 268.295
351.973 233.884
352.456 202.347
352.938 152.953
353.420 92.321
353.902 41.101
354.384 16.971
354.866 4.727
355.348 16.115
355.830 48.952
356.312 79.341
356.795 94.222
357.277 101.379
357.759 112.180
358.241 98.255
358.723 75.529
359.205 47.685
359.687 14.352
360.169 12.173
360.652 24.907
361.134 28.040
361.616 25.949
362.098 8.605
362.580 2.706
363.062 8.309
363.544 38.259
364.026 52.193
364.509 22.516
364.991 15.686
365.473 39.192
365.955 32.508
366.437 23.670
366.919 8.960
367.401 7.046
367.883 5.916
368.365 33.376
368.848 74.669
369.330 69.763
369.812 61.429
370.294 53.491
370.776 52.740
371.258 50.643
371.740 27.955
372.222 34.412
372.704 88.890
373.187 114.206
373.669 100.135
374.151 110.745
374.633 155.524
375.115 213.950
375.597 256.930
376.079 275.751
376.561 309.966
377.043 379.950
377.526 479.343
378.008 540.080
378.490 552.648
378.972 556.023
379.454 587.073
379.936 645.969
380.418 711.149
380.901 783.252
381.383 855.649
381.865 912.418
382.347 953.174
382.829 987.959
383.311 1011.811
383.793 1033.836
384.275 1084.852
384.757 1176.361
385.240 1282.569
385.722 1370.562
386.204 1444.558
386.686 1516.520
387.168 1591.617
387.650 1670.039
388.132 1751.510
388.614 1835.788
389.096 1920.650
389.579 2002.734
390.061 2083.593
390.543 2164.370
391.025 2260.942
391.507 2347.746
391.989 2415.755
392.471 2463.902
392.953 2475.234
393.435 2434.248
393.918 2356.184
394.400 2254.374
394.882 2122.288
395.364 1979.326
395.846 1833.662
396.328 1682.024
396.810 1514.684
397.292 1300.952
397.775 1091.831
398.257 912.993
398.739 784.851
399.221 670.307
399.703 572.103
400.185 487.251
400.667 407.649
401.149 331.392
401.632 265.649
402.114 209.101
402.596 157.823
403.078 124.211
403.560 116.453
404.042 116.435
404.524 106.224
405.006 83.579
405.488 55.213
405.971 29.742
406.453 9.086
406.935 13.257
407.417 13.147
407.899 7.391
408.381 14.261
408.863 8.121
409.345 1.982
409.828 2.174
410.310 5.141
410.792 6.952
411.274 8.000
411.756 11.630
412.238 22.013
412.720 24.001
413.202 15.583
413.684 15.149
414.167 15.161
414.649 2.674
415.131 16.752
415.613 29.105
416.095 22.228
416.577 10.903
417.059 5.326
417.541 5.953
418.023 15.112
418.506 38.653
418.988 70.175
419.470 103.858
419.952 137.454
420.434 174.295
420.916 216.437
421.398 261.133
421.880 302.592
422.362 342.659
422.845 381.189
423.327 417.799
423.809 449.046
424.291 485.181
424.773 531.685
425.255 582.675
425.737 630.489
426.220 685.546
426.702 724.679
427.184 741.252
427.666 732.995
428.148 727.453
428.630 721.245
429.112 720.699
429.594 740.413
430.076 793.743
430.559 813.396
431.041 781.509
431.523 714.147
432.005 662.852
432.487 629.668
432.969 598.083
433.451 559.801
433.933 514.840
434.415 459.067
434.898 389.244
435.380 322.272
435.862 278.855
436.344 257.842
436.826 254.348
437.308 281.342
437.790 318.417
438.272 328.110
438.754 312.085
439.237 305.400
439.719 337.729
440.201 393.152
440.683 451.491
441.165 503.181
441.647 561.868
442.129 637.707
442.612 726.451
443.094 820.483
443.576 921.761
444.058 1023.440
444.540 1119.200
445.022 1202.350
445.504 1299.698
445.986 1421.639
446.468 1557.660
446.951 1696.185
447.433 1867.621
447.915 2007.188
448.397 2110.191
448.879 2176.384
449.361 2192.808
449.843 2150.172
450.325 2069.587
450.807 1965.964
451.290 1846.473
451.772 1676.733
452.254 1438.402
452.736 1162.818
453.218 908.300
453.700 673.608
454.182 462.361
454.664 276.588
455.147 116.172
455.629 24.646
456.111 146.744
456.593 95.210
457.075 34.852
457.557 2.422
458.039 34.415
458.521 97.168
459.003 155.771
459.486 170.720
459.968 146.356
460.450 102.408
460.932 50.216
461.414 14.848
461.896 94.764
462.378 177.428
462.860 63.309
463.342 85.323
463.825 263.097
464.307 459.770
464.789 667.580
465.271 898.262
465.753 1157.251
466.235 1442.526
466.717 1748.875
467.199 2068.938
467.681 2418.383
468.164 2807.833
468.646 3255.440
469.128 3710.509
469.610 4154.423
470.092 4609.004
470.574 5122.802
471.056 5711.972
471.539 6334.997
472.021 6966.035
472.503 7610.304
472.985 8331.518
473.467 9145.294
473.949 9980.804
474.431 10755.950
474.913 11476.147
475.395 12182.973
475.878 12938.033
476.360 13622.941
476.842 14070.425
477.324 14275.953
477.806 14198.148
478.288 13760.628
478.770 13047.711
479.252 12136.821
479.734 11016.803
480.217 9823.883
480.699 8561.923
481.181 7305.015
481.663 6174.288
482.145 5220.136
482.627 4395.096
483.109 3701.131
483.591 3130.772
484.073 2625.039
484.556 2175.322
485.038 1786.987
485.520 1464.428
486.002 1232.211
486.484 1033.479
486.966 866.239
487.448 732.190
487.931 637.321
488.413 598.228
488.895 566.105
489.377 522.154
489.859 469.807
490.341 464.858
490.823 518.028
491.305 584.324
491.787 615.790
492.270 616.908
492.752 666.764
493.234 782.386
493.716 938.033
494.198 1099.374
494.680 1266.032
495.162 1441.364
495.644 1626.654
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