#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:42:29 +0300 (Thu, 26 Apr 2018) $
#$Revision: 517 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000069.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_1000069
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 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            R060645.rod
_rod_data_source.block           3500000
_rod_database.code               1000069
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
115.6658 0.0000000E+00
116.1479 0.5644530
116.6300 1.783142
117.1121 0.7337040
117.5942 0.7050780
118.0763 7.6720998E-02
118.5584 3.280090
119.0406 7.237549
119.5227 11.64478
120.0048 16.38141
120.4869 21.11011
120.9690 25.31201
121.4511 29.72021
121.9333 35.68591
122.4154 43.78485
122.8975 52.34534
123.3796 60.11896
123.8617 67.12610
124.3438 73.33496
124.8260 78.47943
125.3081 82.85876
125.7902 86.37921
126.2723 88.61700
126.7544 90.38257
127.2365 93.67914
127.7187 99.45929
128.2008 105.2309
128.6829 110.1878
129.1650 114.6976
129.6471 119.3010
130.1292 124.4300
130.6114 130.1042
131.0935 135.2729
131.5756 140.1757
132.0577 144.1890
132.5398 147.3104
133.0219 149.3553
133.5041 150.0574
133.9862 149.0399
134.4683 145.8453
134.9504 143.3177
135.4325 142.0001
135.9146 140.6438
136.3968 138.2629
136.8789 134.8522
137.3610 131.3879
137.8431 129.1788
138.3252 128.5223
138.8073 127.3459
139.2895 125.2497
139.7716 122.7621
140.2537 120.7346
140.7358 119.6563
141.2179 118.1432
141.7000 114.0255
142.1821 107.6819
142.6643 101.1320
143.1464 95.08313
143.6285 89.59943
144.1106 84.52606
144.5927 80.39111
145.0748 77.67291
145.5570 75.51947
146.0391 74.00616
146.5212 73.00885
147.0033 72.37933
147.4854 71.82385
147.9675 70.48181
148.4497 68.29694
148.9318 65.74652
149.4139 62.61060
149.8960 59.17017
150.3781 55.82367
150.8602 53.11230
151.3424 51.11755
151.8245 49.42993
152.3066 47.45801
152.7887 45.94666
153.2708 45.68158
153.7529 46.72876
154.2351 48.24487
154.7172 49.08026
155.1993 49.34210
155.6814 49.94830
156.1635 51.16473
156.6456 52.76080
157.1278 54.40857
157.6099 55.99023
158.0920 57.48285
158.5741 58.48999
159.0562 58.42719
159.5383 58.42151
160.0205 58.91980
160.5026 59.78851
160.9847 60.69141
161.4668 61.53271
161.9489 62.15063
162.4310 62.11273
162.9131 61.24634
163.3953 60.04486
163.8774 58.88074
164.3595 57.72809
164.8416 56.13928
165.3237 53.64117
165.8058 50.58698
166.2880 47.82037
166.7701 45.95966
167.2522 44.01453
167.7343 40.68274
168.2164 35.68555
168.6985 30.69116
169.1807 26.84821
169.6628 23.58099
170.1449 20.16241
170.6270 16.15997
171.1091 11.96094
171.5912 8.575317
172.0734 6.567749
172.5555 4.348083
173.0376 0.8050540
173.5197 2.206970
174.0018 4.564484
174.4839 5.490845
174.9661 5.220856
175.4482 5.145935
175.9303 5.402496
176.4124 5.679871
176.8945 6.037048
177.3766 6.345276
177.8588 6.363190
178.3409 5.906494
178.8230 4.975464
179.3051 4.016296
179.7872 2.769135
180.2693 1.743286
180.7515 1.262482
181.2336 1.168518
181.7157 1.017334
182.1978 0.4050290
182.6799 0.7462460
183.1620 1.573700
183.6441 2.167236
184.1263 2.441498
184.6084 2.254395
185.0905 1.660889
185.5726 0.8920290
186.0547 0.1372380
186.5368 0.6038820
187.0190 1.112000
187.5011 1.229736
187.9832 1.220581
188.4653 1.203644
188.9474 1.194672
189.4296 1.327362
189.9117 1.836975
190.3938 2.692780
190.8759 3.261292
191.3580 3.580048
191.8401 3.516418
192.3223 2.689301
192.8044 0.9001770
193.2865 0.8134160
193.7686 1.099915
194.2507 0.3977970
194.7328 2.9906999E-02
195.2150 0.6094970
195.6971 1.744690
196.1792 2.611755
196.6613 2.981537
197.1434 3.455627
197.6255 4.495483
198.1077 5.964508
198.5898 7.582581
199.0719 9.462036
199.5540 11.43335
200.0361 12.65576
200.5182 12.38748
201.0004 12.38907
201.4825 13.68842
201.9646 15.96671
202.4467 18.43976
202.9288 20.78442
203.4109 22.97739
203.8930 24.42624
204.3752 24.53333
204.8573 24.45016
205.3394 24.43103
205.8215 24.57220
206.3036 24.96838
206.7857 25.65640
207.2679 26.62750
207.7500 28.22382
208.2321 31.76733
208.7142 34.73175
209.1963 35.78439
209.6784 35.44659
210.1606 35.22717
210.6427 36.54974
211.1248 39.65732
211.6069 42.09875
212.0890 43.18765
212.5711 44.32736
213.0533 46.33072
213.5354 48.96466
214.0175 51.31982
214.4996 52.46292
214.9817 52.08923
215.4638 52.71707
215.9460 55.02518
216.4281 57.49225
216.9102 59.33783
217.3923 60.59351
217.8744 61.78177
218.3565 63.37875
218.8387 65.44797
219.3208 67.42926
219.8029 69.09708
220.2850 70.86630
220.7671 73.11948
221.2492 75.80521
221.7314 78.41864
222.2135 80.45419
222.6956 81.87274
223.1777 83.73038
223.6598 86.38806
224.1419 89.21176
224.6240 91.81061
225.1062 94.15280
225.5883 96.23349
226.0704 98.04584
226.5525 99.55817
227.0346 100.7801
227.5167 101.8687
227.9989 102.5543
228.4810 102.5339
228.9631 101.7862
229.4452 100.6334
229.9273 99.44028
230.4094 98.00040
230.8916 95.67975
231.3737 91.86417
231.8558 87.36362
232.3379 83.10989
232.8200 79.21222
233.3021 75.38950
233.7843 71.49805
234.2664 67.52310
234.7485 63.39404
235.2306 58.88928
235.7127 54.42117
236.1948 50.61853
236.6770 47.63245
237.1591 44.76010
237.6412 41.43588
238.1233 38.08167
238.6054 35.17105
239.0875 32.93201
239.5697 31.04147
240.0518 28.99673
240.5339 26.71204
241.0160 24.62601
241.4981 22.80542
241.9802 21.26956
242.4624 20.17801
242.9445 19.68185
243.4266 19.29984
243.9087 18.08896
244.3908 15.61978
244.8729 13.50577
245.3550 12.32367
245.8372 11.62149
246.3193 11.09283
246.8014 10.64243
247.2835 10.20853
247.7656 9.666840
248.2477 8.965302
248.7299 8.223358
249.2120 7.374908
249.6941 6.589508
250.1762 6.146423
250.6583 6.157257
251.1404 6.266357
251.6226 5.696838
252.1047 3.863464
252.5868 2.554840
253.0689 2.218140
253.5510 2.286774
254.0331 2.420959
254.5153 2.490875
254.9974 2.454315
255.4795 2.207733
255.9616 1.531067
256.4437 1.145660
256.9258 1.128113
257.4080 1.299469
257.8901 1.539703
258.3722 1.817841
258.8543 2.205933
259.3364 2.881592
259.8185 4.227112
260.3007 4.872314
260.7828 4.364136
261.2649 3.658691
261.7470 3.294373
262.2291 3.343842
262.7112 3.617401
263.1934 3.953522
263.6755 4.512360
264.1576 4.489227
264.6397 3.200684
265.1218 2.017181
265.6039 1.918030
266.0861 2.788330
266.5682 3.673645
267.0503 3.555695
267.5324 2.143494
268.0145 1.601868
268.4966 2.605225
268.9788 3.695374
269.4609 4.079620
269.9430 3.853027
270.4251 3.618561
270.9072 3.884216
271.3893 4.673553
271.8715 5.333527
272.3536 5.826416
272.8357 6.242981
273.3178 6.512421
273.7999 6.732758
274.2820 7.142792
274.7642 7.926666
275.2463 9.043732
275.7284 10.00537
276.2105 10.51727
276.6926 11.22580
277.1747 12.69724
277.6568 14.54001
278.1389 15.82059
278.6211 15.96326
279.1032 15.26453
279.5853 14.99478
280.0674 15.21805
280.5495 15.68732
281.0316 16.48325
281.5138 17.46939
281.9959 18.36609
282.4780 19.02417
282.9601 19.62131
283.4422 20.66620
283.9243 22.59094
284.4065 24.10239
284.8886 24.54626
285.3707 24.52274
285.8528 25.02734
286.3349 26.44595
286.8170 28.11621
287.2992 28.87744
287.7813 28.52530
288.2634 28.06903
288.7455 27.49127
289.2276 26.95819
289.7097 26.73227
290.1919 26.88211
290.6740 27.13831
291.1561 27.14813
291.6382 26.86368
292.1203 26.71567
292.6024 26.88742
293.0846 27.13470
293.5667 27.18011
294.0488 26.99188
294.5309 26.80188
295.0130 26.79340
295.4951 26.97891
295.9773 27.33627
296.4594 27.71332
296.9415 28.37717
297.4236 29.57520
297.9057 31.29123
298.3878 33.31299
298.8700 35.54483
299.3521 37.98071
299.8342 40.47302
300.3163 43.01639
300.7984 45.60281
301.2805 48.18607
301.7627 50.79349
302.2448 53.56503
302.7269 56.52609
303.2090 59.78961
303.6911 63.60443
304.1732 68.01532
304.6554 72.84186
305.1375 78.23175
305.6196 83.99695
306.1017 89.60733
306.5838 94.77066
307.0659 99.85989
307.5481 105.5062
308.0302 111.6555
308.5123 118.3572
308.9944 125.8586
309.4765 133.8126
309.9586 141.4675
310.4408 148.5096
310.9229 155.6360
311.4050 163.9439
311.8871 173.4902
312.3692 182.5913
312.8513 191.2750
313.3335 199.1624
313.8156 205.7701
314.2977 210.9857
314.7798 215.4130
315.2619 219.7934
315.7440 223.9883
316.2262 226.5943
316.7083 227.6358
317.1904 226.9413
317.6725 224.0578
318.1546 219.0571
318.6367 213.0150
319.1188 206.6108
319.6010 199.6581
320.0831 191.6247
320.5652 181.9937
321.0473 171.8084
321.5294 161.0573
322.0115 150.0978
322.4937 140.0642
322.9758 131.6781
323.4579 124.4323
323.9400 117.1118
324.4221 109.1479
324.9042 102.2044
325.3864 97.02774
325.8685 93.23096
326.3506 89.99786
326.8327 87.03452
327.3148 84.70871
327.7969 83.80521
328.2791 84.45630
328.7612 85.31116
329.2433 86.03375
329.7254 86.88177
330.2075 88.04083
330.6896 89.54257
331.1718 91.66190
331.6539 94.87311
332.1360 99.28067
332.6181 103.3231
333.1002 106.5599
333.5823 109.6901
334.0645 113.3906
334.5466 117.5691
335.0287 121.6222
335.5108 125.3065
335.9929 128.4431
336.4750 130.0888
336.9572 129.5301
337.4393 128.4432
337.9214 127.7599
338.4035 127.0931
338.8856 125.4547
339.3677 122.3267
339.8499 118.1050
340.3320 113.7883
340.8141 109.3811
341.2962 104.9057
341.7783 100.2979
342.2604 95.64212
342.7426 90.98877
343.2247 86.37051
343.7068 81.99557
344.1889 78.22601
344.6710 75.39853
345.1531 72.22055
345.6353 68.49438
346.1174 64.57925
346.5995 60.64108
347.0816 56.76923
347.5637 53.06625
348.0458 49.68295
348.5280 46.63287
349.0101 43.73389
349.4922 41.05502
349.9743 38.46457
350.4564 35.71118
350.9385 33.06323
351.4207 31.08734
351.9028 30.14304
352.3849 30.00092
352.8670 29.75571
353.3491 29.21530
353.8312 28.82785
354.3134 28.68030
354.7955 28.68561
355.2776 28.87622
355.7597 29.23035
356.2418 29.37509
356.7239 28.63852
357.2061 26.39389
357.6882 24.45395
358.1703 23.02051
358.6524 21.68637
359.1345 20.26959
359.6166 18.71246
360.0987 16.98495
360.5808 15.00677
361.0630 12.73132
361.5451 10.50266
362.0272 8.329651
362.5093 6.230988
362.9914 4.140839
363.4735 2.155609
363.9557 0.4971620
364.4378 0.6876530
364.9199 1.498474
365.4020 2.396790
365.8841 3.738708
366.3662 4.644043
366.8484 4.892944
367.3305 4.741455
367.8126 4.417297
368.2947 3.998657
368.7768 3.453613
369.2589 2.749420
369.7411 1.933868
370.2232 0.8056640
370.7053 0.7384950
371.1874 2.492645
371.6695 4.320923
372.1516 6.248596
372.6338 8.459595
373.1159 11.16565
373.5980 14.34543
374.0801 17.44638
374.5622 20.16025
375.0443 23.20737
375.5265 26.90701
376.0086 31.05313
376.4907 35.31024
376.9728 39.55133
377.4549 43.78763
377.9370 48.02405
378.4192 52.18039
378.9013 56.57101
379.3834 61.21021
379.8655 66.15970
380.3476 71.60974
380.8297 77.58929
381.3119 83.66702
381.7940 89.11115
382.2761 93.96121
382.7582 99.78122
383.2403 107.1088
383.7224 115.1373
384.2046 123.4097
384.6867 131.8501
385.1688 140.4357
385.6509 149.0369
386.1330 157.7143
386.6151 166.7602
387.0973 176.2811
387.5794 185.6883
388.0615 194.6460
388.5436 203.3056
389.0257 211.8794
389.5078 220.4565
389.9900 228.8575
390.4721 237.2627
390.9542 245.5574
391.4363 252.6701
391.9184 258.4682
392.4005 262.5580
392.8827 264.8143
393.3648 265.4261
393.8469 263.5362
394.3290 258.7560
394.8111 251.2856
395.2932 241.2327
395.7754 228.4357
396.2575 213.9608
396.7396 198.1896
397.2217 181.2232
397.7038 164.5292
398.1859 147.6427
398.6681 131.3259
399.1501 115.8856
399.6323 101.3686
400.1144 87.82932
400.5965 75.24988
401.0786 63.74524
401.5607 53.98566
402.0428 46.19893
402.5250 39.37820
403.0071 33.65941
403.4892 28.66968
403.9713 24.02792
404.4534 19.66229
404.9355 15.68404
405.4177 12.23120
405.8998 9.369202
406.3819 6.939163
406.8640 5.124893
407.3461 3.516205
407.8282 1.869949
408.3104 0.2518310
408.7925 1.120392
409.2746 2.112625
409.7567 2.793961
410.2388 3.508255
410.7209 4.372131
411.2031 5.108261
411.6852 5.759659
412.1673 6.243805
412.6494 6.484970
413.1315 6.464676
413.6136 6.218170
414.0958 5.768219
414.5779 5.071381
415.0600 4.334625
415.5421 3.446320
416.0242 2.621918
416.5063 2.083374
416.9885 1.679733
417.4706 1.068787
417.9527 1.4038000E-02
418.4348 1.396133
418.9169 2.897034
419.3990 4.533859
419.8812 6.150009
420.3633 7.575790
420.8454 9.015594
421.3275 10.63089
421.8096 12.45969
422.2917 14.46083
422.7739 16.64711
423.2560 18.99733
423.7381 21.31593
424.2202 23.58403
424.7023 25.86229
425.1844 28.19595
425.6666 30.58861
426.1487 33.05324
426.6308 35.65921
427.1129 38.32822
427.5950 40.81718
428.0771 43.12152
428.5593 45.72900
429.0414 48.97241
429.5235 52.62711
430.0056 56.07034
430.4877 59.06943
430.9698 62.36963
431.4520 66.27267
431.9341 70.72931
432.4162 75.80093
432.8983 81.53763
433.3804 87.46820
433.8625 93.01541
434.3447 98.07858
434.8268 103.4071
435.3089 109.6640
435.7910 115.6501
436.2731 120.7036
436.7552 124.7905
437.2374 128.0921
437.7195 130.7753
438.2016 132.6298
438.6837 132.7738
439.1658 130.2655
439.6479 127.1980
440.1301 123.4632
440.6122 119.3745
441.0943 115.1284
441.5764 110.8364
442.0585 106.6006
442.5406 102.4601
443.0227 98.25510
443.5049 95.26053
443.9870 93.85721
444.4691 93.31122
444.9512 93.61343
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