#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:51 +0300 (Thu, 24 May 2018) $
#$Revision: 742 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000246.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_1000246
loop_
_publ_author_name
'Dal Negro, A.'
'Pozas, J. M. M.'
'Ungaretti, L.'
_publ_section_title
;
 The crystal structure of ameghinite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              879
_journal_page_last               883
_journal_volume                  60
_journal_year                    1975
_chemical_compound_source        R060643
_chemical_formula_sum            'B3 H4 Na O7'
_chemical_name_mineral           Ameghinite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.4
_cell_angle_gamma                90
_cell_length_a                   18.428
_cell_length_b                   9.882
_cell_length_c                   6.326
_cell_volume                     1115.807
_exptl_crystal_density_diffrn    2.041
_cod_original_formula_sum        'Na B3 O7 H4'
_cod_database_code               9000459
_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            R060643.rod
_rod_data_source.block           3500000
_rod_database.code               1000246
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 9000459 COD http://www.crystallography.net/cod/9000459.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
104.647 0.000
105.130 21.685
105.612 41.950
106.094 72.470
106.576 29.355
107.058 7.164
107.540 21.251
108.022 8.565
108.504 19.502
108.986 57.786
109.468 99.119
109.951 162.748
110.433 243.694
110.915 346.720
111.397 479.691
111.879 643.629
112.361 691.426
112.843 762.884
113.326 830.416
113.808 894.157
114.290 938.814
114.772 1010.758
115.254 1073.234
115.736 1136.250
116.218 1214.754
116.700 1267.176
117.182 1347.085
117.664 1415.143
118.147 1426.903
118.629 1489.216
119.111 1545.067
119.593 1559.337
120.075 1546.365
120.557 1530.909
121.039 1512.263
121.521 1502.222
122.004 1511.347
122.486 1542.855
122.968 1590.543
123.450 1649.340
123.932 1720.059
124.414 1802.551
124.896 1912.697
125.378 2033.032
125.860 2132.217
126.343 2196.679
126.825 2241.767
127.307 2291.909
127.789 2346.554
128.271 2389.085
128.753 2381.144
129.235 2340.800
129.717 2335.038
130.200 2376.581
130.682 2472.090
131.164 2638.811
131.646 2878.135
132.128 3188.815
132.610 3620.227
133.092 4169.903
133.574 4675.736
134.057 5098.625
134.539 5432.475
135.021 5506.760
135.503 5246.160
135.985 4784.605
136.467 4413.015
136.949 4121.770
137.431 3949.066
137.913 3924.121
138.396 4055.286
138.878 4288.640
139.360 4620.921
139.842 5054.783
140.324 5589.420
140.806 6278.616
141.288 6992.440
141.770 7663.122
142.253 8404.740
142.735 8827.970
143.217 8796.890
143.699 8256.038
144.181 7678.430
144.663 7018.843
145.145 6349.776
145.627 5800.640
146.109 5457.321
146.592 5113.450
147.074 4710.186
147.556 4271.815
148.038 3720.569
148.520 2943.530
149.002 2060.222
149.484 1381.645
149.966 1011.193
150.449 770.421
150.931 584.871
151.413 489.178
151.895 410.047
152.377 336.800
152.859 274.018
153.341 252.000
153.823 247.213
154.305 204.558
154.788 242.894
155.270 261.695
155.752 262.013
156.234 188.216
156.716 210.382
157.198 194.229
157.680 197.176
158.162 223.071
158.645 270.989
159.127 319.721
159.609 379.774
160.091 455.272
160.573 546.197
161.055 650.140
161.537 766.652
162.019 896.057
162.501 1033.479
162.984 1175.564
163.466 1338.106
163.948 1533.553
164.430 1768.613
164.912 2019.169
165.394 2276.616
165.876 2541.613
166.358 2813.883
166.840 3082.828
167.323 3363.906
167.805 3675.172
168.287 4050.531
168.769 4416.762
169.251 4763.432
169.733 5078.896
170.215 5304.657
170.697 5447.603
171.180 5469.198
171.662 5315.942
172.144 4888.710
172.626 4345.560
173.108 3784.315
173.590 3207.850
174.072 2684.461
174.554 2266.733
175.036 1943.056
175.519 1696.542
176.001 1547.914
176.483 1461.972
176.965 1393.594
177.447 1340.896
177.929 1309.688
178.411 1311.190
178.893 1339.804
179.376 1377.791
179.858 1402.401
180.340 1433.229
180.822 1511.532
181.304 1646.086
181.786 1808.338
182.268 1999.244
182.750 2206.438
183.232 2351.424
183.715 2348.060
184.197 2243.578
184.679 2181.577
185.161 2190.493
185.643 2229.765
186.125 2235.031
186.607 2207.045
187.089 2165.829
187.572 2117.965
188.054 2065.969
188.536 2025.759
189.018 2000.764
189.500 1987.743
189.982 1978.369
190.464 1972.416
190.946 1972.673
191.428 1979.259
191.911 1992.715
192.393 2019.879
192.875 2062.277
193.357 2119.873
193.839 2192.377
194.321 2279.456
194.803 2380.399
195.285 2496.701
195.768 2628.996
196.250 2764.328
196.732 2906.988
197.214 3054.323
197.696 3168.390
198.178 3249.276
198.660 3296.595
199.142 3312.200
199.624 3298.310
200.107 3242.124
200.589 3132.885
201.071 2969.438
201.553 2793.748
202.035 2604.062
202.517 2404.652
202.999 2200.677
203.481 1989.001
203.964 1785.855
204.446 1595.527
204.928 1416.642
205.410 1257.602
205.892 1120.719
206.374 1002.520
206.856 898.277
207.338 808.995
207.820 730.233
208.303 660.313
208.785 599.140
209.267 543.451
209.749 496.060
210.231 455.141
210.713 414.568
211.195 370.600
211.677 333.074
212.160 308.913
212.642 302.491
213.124 296.568
213.606 288.774
214.088 280.766
214.570 280.342
215.052 289.892
215.534 302.034
216.016 310.616
216.499 311.566
216.981 322.777
217.463 351.252
217.945 392.507
218.427 416.980
218.909 415.105
219.391 410.759
219.873 424.821
220.355 470.145
220.838 503.429
221.320 516.167
221.802 509.628
222.284 504.324
222.766 501.647
223.248 498.832
223.730 494.830
224.212 494.591
224.695 481.700
225.177 448.734
225.659 394.499
226.141 353.304
226.623 330.107
227.105 313.807
227.587 293.183
228.069 265.670
228.551 238.242
229.034 211.580
229.516 185.540
229.998 161.680
230.480 138.076
230.962 117.746
231.444 105.376
231.926 107.788
232.408 105.504
232.891 92.002
233.373 64.324
233.855 42.798
234.337 27.687
234.819 18.349
235.301 14.755
235.783 21.836
236.265 26.459
236.747 24.197
237.230 13.025
237.712 4.531
238.194 0.586
238.676 3.247
239.158 4.952
239.640 6.858
240.122 5.704
240.604 1.993
241.087 21.888
241.569 26.341
242.051 6.328
242.533 24.347
243.015 41.088
243.497 36.462
243.979 29.699
244.461 27.126
244.943 29.913
245.426 33.782
245.908 40.993
246.390 48.305
246.872 49.021
247.354 38.882
247.836 28.994
248.318 23.530
248.800 24.074
249.283 24.351
249.765 22.957
250.247 21.887
250.729 26.282
251.211 40.869
251.693 53.093
252.175 57.069
252.657 47.843
253.139 43.648
253.622 45.583
254.104 51.937
254.586 60.008
255.068 63.347
255.550 51.880
256.032 44.067
256.514 39.707
256.996 49.021
257.478 40.779
257.961 39.633
258.443 38.818
258.925 28.226
259.407 35.767
259.889 25.410
260.371 22.252
260.853 15.852
261.335 16.584
261.818 15.156
262.300 6.664
262.782 10.028
263.264 3.932
263.746 3.814
264.228 11.873
264.710 18.670
265.192 25.235
265.674 29.715
266.157 24.779
266.639 4.552
267.121 10.985
267.603 8.882
268.085 17.419
268.567 32.152
269.049 30.729
269.531 19.552
270.013 14.744
270.496 18.078
270.978 22.472
271.460 24.661
271.942 24.571
272.424 22.388
272.906 17.191
273.388 10.672
273.871 7.657
274.353 9.397
274.835 9.916
275.317 6.274
275.799 1.733
276.281 13.162
276.763 29.965
277.245 47.904
277.727 56.880
278.210 55.393
278.692 52.654
279.174 54.866
279.656 62.375
280.138 62.901
280.620 53.411
281.102 40.208
281.584 35.316
282.066 39.164
282.549 47.641
283.031 61.161
283.513 79.280
283.995 91.247
284.477 94.547
284.959 95.431
285.441 107.857
285.923 132.341
286.405 151.716
286.888 151.670
287.370 135.820
287.852 131.997
288.334 144.329
288.816 161.926
289.298 165.827
289.780 156.891
290.263 149.711
290.745 154.784
291.227 168.505
291.709 176.097
292.191 176.269
292.673 172.043
293.155 163.646
293.637 152.359
294.119 147.700
294.602 160.272
295.084 182.810
295.566 195.584
296.048 196.713
296.530 193.051
297.012 191.145
297.494 190.920
297.976 192.005
298.458 196.219
298.941 201.204
299.423 201.994
299.905 197.995
300.387 192.600
300.869 191.705
301.351 193.832
301.833 192.754
302.315 178.144
302.797 161.075
303.280 158.985
303.762 172.790
304.244 188.837
304.726 198.376
305.208 202.579
305.690 202.799
306.172 194.917
306.654 185.339
307.137 181.256
307.619 182.914
308.101 184.753
308.583 181.852
309.065 175.999
309.547 170.670
310.029 168.421
310.511 167.965
310.993 168.220
311.476 168.743
311.958 167.921
312.440 165.470
312.922 161.243
313.404 155.604
313.886 144.331
314.368 134.538
314.850 128.471
315.333 127.149
315.815 130.036
316.297 142.017
316.779 156.294
317.261 165.503
317.743 161.952
318.225 161.271
318.707 173.562
319.190 195.176
319.672 209.884
320.154 203.066
320.636 193.553
321.118 194.603
321.600 220.421
322.082 241.113
322.564 245.341
323.046 238.422
323.529 238.604
324.011 253.375
324.493 274.643
324.975 297.909
325.457 322.614
325.939 345.730
326.421 367.746
326.903 389.516
327.385 412.131
327.868 429.818
328.350 451.823
328.832 483.277
329.314 538.154
329.796 574.431
330.278 571.857
330.760 556.120
331.242 575.549
331.724 658.023
332.207 738.410
332.689 793.858
333.171 813.552
333.653 850.830
334.135 913.966
334.617 989.089
335.099 1055.349
335.582 1106.374
336.064 1162.919
336.546 1231.982
337.028 1314.693
337.510 1398.144
337.992 1482.327
338.474 1568.560
338.956 1655.117
339.438 1742.125
339.921 1835.512
340.403 1942.274
340.885 2057.967
341.367 2159.574
341.849 2247.755
342.331 2316.547
342.813 2353.315
343.295 2358.492
343.777 2358.761
344.260 2358.006
344.742 2357.325
345.224 2358.057
345.706 2359.955
346.188 2368.645
346.670 2396.643
347.152 2437.854
347.634 2463.377
348.116 2465.149
348.599 2453.546
349.081 2445.783
349.563 2440.865
350.045 2430.532
350.527 2409.369
351.009 2378.744
351.491 2338.696
351.973 2285.886
352.456 2234.416
352.938 2198.314
353.420 2176.707
353.902 2166.992
354.384 2161.076
354.866 2169.429
355.348 2203.310
355.830 2263.852
356.312 2349.040
356.795 2465.492
357.277 2604.102
357.759 2751.691
358.241 2905.865
358.723 3063.197
359.205 3235.457
359.687 3423.750
360.169 3578.136
360.652 3657.114
361.134 3695.750
361.616 3730.726
362.098 3784.793
362.580 3826.082
363.062 3846.344
363.544 3845.055
364.026 3819.930
364.509 3758.989
364.991 3680.693
365.473 3596.985
365.955 3494.390
366.437 3404.940
366.919 3348.860
367.401 3314.129
367.883 3253.790
368.365 3136.206
368.848 3015.044
369.330 2916.269
369.812 2874.569
370.294 2792.560
370.776 2645.562
371.258 2466.265
371.740 2317.899
372.222 2220.647
372.704 2121.966
373.187 1996.373
373.669 1826.473
374.151 1719.118
374.633 1621.691
375.115 1545.775
375.597 1464.171
376.079 1377.922
376.561 1272.505
377.043 1193.579
377.526 1103.717
378.008 1012.831
378.490 931.440
378.972 861.166
379.454 805.571
379.936 762.182
380.418 726.487
380.901 701.634
381.383 683.877
381.865 656.568
382.347 619.166
382.829 587.238
383.311 580.192
383.793 588.384
384.275 583.977
384.757 560.489
385.240 534.892
385.722 526.453
386.204 529.070
386.686 531.787
387.168 529.651
387.650 528.447
388.132 531.329
388.614 536.347
389.096 540.406
389.579 543.516
390.061 546.716
390.543 549.991
391.025 548.935
391.507 551.276
391.989 563.237
392.471 584.702
392.953 608.543
393.435 632.042
393.918 656.005
394.400 681.265
394.882 714.160
395.364 741.784
395.846 755.716
396.328 759.723
396.810 770.807
397.292 789.744
397.775 818.591
398.257 859.654
398.739 928.160
399.221 984.529
399.703 1016.231
400.185 1036.760
400.667 1073.884
401.149 1148.613
401.632 1213.021
402.114 1247.259
402.596 1240.921
403.078 1259.563
403.560 1316.865
404.042 1384.567
404.524 1427.418
405.006 1439.130
405.488 1449.698
405.971 1469.593
406.453 1494.946
406.935 1497.042
407.417 1472.460
407.899 1438.403
408.381 1407.238
408.863 1378.794
409.345 1350.604
409.828 1324.429
410.310 1295.436
410.792 1253.624
411.274 1199.390
411.756 1141.905
412.238 1088.605
412.720 1035.068
413.202 969.493
413.684 888.573
414.167 807.256
414.649 743.650
415.131 692.351
415.613 642.910
416.095 587.522
416.577 534.357
417.059 494.865
417.541 468.114
418.023 438.618
418.506 393.030
418.988 342.203
419.470 295.995
419.952 257.912
420.434 224.647
420.916 196.577
421.398 172.779
421.880 151.150
422.362 126.064
422.845 106.808
423.327 99.765
423.809 118.106
424.291 122.086
424.773 98.121
425.255 61.041
425.737 32.743
426.220 15.636
426.702 3.937
427.184 2.316
427.666 2.773
428.148 5.868
428.630 13.559
429.112 21.217
429.594 24.069
430.076 20.290
430.559 19.662
431.041 25.195
431.523 33.914
432.005 34.645
432.487 26.063
432.969 19.558
433.451 25.577
433.933 41.462
434.415 47.168
434.898 39.074
435.380 29.308
435.862 39.484
436.344 63.696
436.826 78.094
437.308 61.411
437.790 33.227
438.272 24.719
438.754 35.022
439.237 45.773
439.719 44.659
440.201 35.683
440.683 22.449
441.165 3.900
441.647 20.398
442.129 0.630
442.612 41.838
443.094 67.964
443.576 41.741
444.058 11.178
444.540 6.276
445.022 43.570
445.504 63.684
445.986 45.050
446.468 6.567
446.951 28.813
447.433 66.302
447.915 92.732
448.397 97.876
448.879 83.066
449.361 85.649
449.843 71.681
450.325 118.781
450.807 163.500
451.290 257.606
451.772 339.698
452.254 410.438
452.736 435.845
453.218 519.762
453.700 580.221
454.182 639.721
454.664 718.929
455.147 792.563
455.629 865.339
456.111 935.238
456.593 1019.626
457.075 1141.475
457.557 1294.594
458.039 1458.494
458.521 1618.042
459.003 1795.257
459.486 2010.407
459.968 2262.863
460.450 2557.014
460.932 2890.017
461.414 3266.771
461.896 3703.458
462.378 4217.537
462.860 4717.953
463.342 5229.383
463.825 5679.488
464.307 5951.628
464.789 6046.595
465.271 5924.482
465.753 5497.025
466.235 4758.533
466.717 4054.312
467.199 3374.982
467.681 2768.012
468.164 2260.257
468.646 1868.484
469.128 1551.479
469.610 1325.818
470.092 1170.567
470.574 1038.467
471.056 930.066
471.539 841.357
472.021 773.522
472.503 726.227
472.985 685.334
473.467 650.288
473.949 623.342
474.431 609.868
474.913 608.597
475.395 608.407
475.878 606.906
476.360 604.832
476.842 602.916
477.324 601.385
477.806 601.476
478.288 603.768
478.770 608.310
479.252 615.300
479.734 624.896
480.217 636.350
480.699 648.789
481.181 662.891
481.663 679.491
482.145 694.946
482.627 716.519
483.109 749.356
483.591 792.289
484.073 835.897
484.556 872.858
485.038 912.705
485.520 960.750
486.002 1017.481
486.484 1081.006
486.966 1153.175
487.448 1231.878
487.931 1312.008
488.413 1383.203
488.895 1473.959
489.377 1592.649
489.859 1738.608
490.341 1902.137
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