#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:42:25 +0300 (Thu, 26 Apr 2018) $
#$Revision: 516 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000068.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_1000068
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 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            R060643.rod
_rod_data_source.block           3500000
_rod_database.code               1000068
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
111.8088 0.0000000E+00
112.2909 0.6748050
112.7731 0.1920170
113.2552 7.499878
113.7373 20.32153
114.2194 38.40698
114.7015 65.12329
115.1836 90.33008
115.6658 118.2186
116.1479 142.6876
116.6300 156.4791
117.1121 156.6710
117.5942 148.5811
118.0763 143.4312
118.5584 139.4574
119.0406 140.0895
119.5227 150.8186
120.0048 167.5829
120.4869 179.7520
120.9690 183.6904
121.4511 178.0477
121.9333 163.4761
122.4154 136.8590
122.8975 108.3531
123.3796 84.81665
123.8617 65.59558
124.3438 51.49451
124.8260 45.02600
125.3081 43.44116
125.7902 45.15271
126.2723 49.79749
126.7544 57.41943
127.2365 68.53796
127.7187 85.37634
128.2008 102.3737
128.6829 120.8276
129.1650 137.9028
129.6471 149.7579
130.1292 153.7781
130.6114 150.3253
131.0935 144.3704
131.5756 128.6415
132.0577 118.3412
132.5398 117.9722
133.0219 130.7245
133.5041 154.1300
133.9862 185.3500
134.4683 223.1990
134.9504 262.7325
135.4325 312.7310
135.9146 353.6493
136.3968 378.3051
136.8789 386.7025
137.3610 380.9708
137.8431 360.1484
138.3252 320.3025
138.8073 286.8807
139.2895 258.8301
139.7716 238.6627
140.2537 229.7267
140.7358 233.2047
141.2179 246.6569
141.7000 268.6479
142.1821 298.0121
142.6643 332.6140
143.1464 375.9878
143.6285 424.9465
144.1106 468.8767
144.5927 507.5833
145.0748 536.7078
145.5570 555.4702
146.0391 563.7545
146.5212 561.9426
147.0033 550.7521
147.4854 530.3223
147.9675 498.5294
148.4497 445.6186
148.9318 386.0066
149.4139 323.9043
149.8960 261.1139
150.3781 201.1744
150.8602 149.9641
151.3424 108.2281
151.8245 73.87054
152.3066 46.10748
152.7887 23.92493
153.2708 6.893982
153.7529 5.121704
154.2351 13.00263
154.7172 18.82678
155.1993 21.97357
155.6814 23.32056
156.1635 21.86938
156.6456 18.99414
157.1278 16.48627
157.6099 15.31189
158.0920 14.80133
158.5741 11.95221
159.0562 6.095642
159.5383 0.9035030
160.0205 9.000000
160.5026 18.11401
160.9847 27.75787
161.4668 37.52313
161.9489 47.67511
162.4310 58.98633
162.9131 71.33917
163.3953 84.63702
163.8774 98.67700
164.3595 113.6829
164.8416 130.0276
165.3237 147.7275
165.8058 166.9578
166.2880 187.8453
166.7701 210.3834
167.2522 234.7373
167.7343 261.7284
168.2164 291.9548
168.6985 321.7909
169.1807 349.9574
169.6628 377.0398
170.1449 401.6127
170.6270 423.8284
171.1091 443.1545
171.5912 458.7852
172.0734 471.7957
172.5555 478.2098
173.0376 475.7548
173.5197 467.2611
174.0018 455.9885
174.4839 442.5859
174.9661 428.1515
175.4482 419.6258
175.9303 418.5919
176.4124 422.7651
176.8945 433.5527
177.3766 448.8077
177.8588 465.3864
178.3409 481.4696
178.8230 497.0959
179.3051 509.0610
179.7872 519.4073
180.2693 524.2136
180.7515 520.9037
181.2336 510.6600
181.7157 496.3824
182.1978 480.2610
182.6799 462.1312
183.1620 443.5582
183.6441 423.2380
184.1263 403.6848
184.6084 386.2241
185.0905 370.8451
185.5726 356.8448
186.0547 343.8883
186.5368 332.1884
187.0190 319.7853
187.5011 305.8358
187.9832 291.9369
188.4653 278.9325
188.9474 267.0264
189.4296 256.5381
189.9117 248.1575
190.3938 241.9085
190.8759 235.8387
191.3580 229.0791
191.8401 222.7520
192.3223 217.9501
192.8044 214.7620
193.2865 213.2888
193.7686 214.7171
194.2507 218.2285
194.7328 221.5724
195.2150 223.1360
195.6971 224.2167
196.1792 227.4926
196.6613 233.6278
197.1434 241.0677
197.6255 249.4681
198.1077 258.3167
198.5898 266.0553
199.0719 272.0961
199.5540 276.4482
200.0361 279.2529
200.5182 281.0795
201.0004 280.1641
201.4825 276.2076
201.9646 269.2990
202.4467 259.6870
202.9288 246.9308
203.4109 231.1757
203.8930 215.2896
204.3752 199.0198
204.8573 183.0005
205.3394 167.3643
205.8215 152.2438
206.3036 137.7048
206.7857 123.7823
207.2679 110.4368
207.7500 98.48279
208.2321 88.36664
208.7142 79.33887
209.1963 71.47107
209.6784 64.50012
210.1606 58.05127
210.6427 51.67505
211.1248 45.17139
211.6069 39.17847
212.0890 34.14832
212.5711 29.50415
213.0533 25.25006
213.5354 21.44275
214.0175 18.24597
214.4996 15.85590
214.9817 14.46869
215.4638 12.21344
215.9460 8.159729
216.4281 4.331421
216.9102 1.755188
217.3923 0.5381470
217.8744 0.2218020
218.3565 0.4521480
218.8387 1.230408
219.3208 1.937927
219.8029 2.372620
220.2850 2.793335
220.7671 3.376343
221.2492 4.115967
221.7314 4.834595
222.2135 5.308167
222.6956 5.577026
223.1777 6.104065
223.6598 7.170044
224.1419 8.150940
224.6240 8.549072
225.1062 8.386963
225.5883 8.139832
226.0704 8.147949
226.5525 8.364990
227.0346 8.540466
227.5167 9.037476
227.9989 9.328308
228.4810 8.637634
228.9631 6.878906
229.4452 5.289551
229.9273 5.007629
230.4094 5.619263
230.8916 5.962097
231.3737 5.671570
231.8558 5.146667
232.3379 4.770630
232.8200 4.538879
233.3021 4.545532
233.7843 5.102600
234.2664 5.851257
234.7485 6.246399
235.2306 5.955811
235.7127 5.405212
236.1948 5.154175
236.6770 5.246521
237.1591 5.596313
237.6412 6.344849
238.1233 7.176636
238.6054 7.773560
239.0875 7.977051
239.5697 8.067322
240.0518 8.475830
240.5339 9.250183
241.0160 10.15289
241.4981 11.31824
241.9802 12.45636
242.4624 13.31116
242.9445 13.81091
243.4266 13.95654
243.9087 13.62433
244.3908 12.55347
244.8729 11.72314
245.3550 11.19867
245.8372 11.10162
246.3193 11.72327
246.8014 13.19800
247.2835 14.97955
247.7656 16.16144
248.2477 16.65332
248.7299 16.69659
249.2120 16.02332
249.6941 15.16827
250.1762 14.53986
250.6583 14.26044
251.1404 14.17242
251.6226 13.99231
252.1047 13.63623
252.5868 13.40369
253.0689 13.60754
253.5510 13.74567
254.0331 13.32495
254.5153 12.27655
254.9974 11.06952
255.4795 10.43054
255.9616 10.65063
256.4437 10.85822
256.9258 10.93384
257.4080 11.06256
257.8901 11.47308
258.3722 12.15308
258.8543 12.78894
259.3364 12.89142
259.8185 12.03131
260.3007 11.74481
260.7828 12.51086
261.2649 13.34631
261.7470 13.59607
262.2291 13.22559
262.7112 12.67657
263.1934 12.45001
263.6755 12.64221
264.1576 12.82507
264.6397 13.35297
265.1218 13.58582
265.6039 12.95563
266.0861 11.55072
266.5682 10.02020
267.0503 8.972046
267.5324 8.445557
268.0145 8.314880
268.4966 8.700806
268.9788 9.278625
269.4609 10.10486
269.9430 11.03613
270.4251 11.76355
270.9072 12.10144
271.3893 12.07123
271.8715 10.93060
272.3536 7.492798
272.8357 4.371094
273.3178 2.740356
273.7999 2.325745
274.2820 2.319275
274.7642 2.262939
275.2463 2.148438
275.7284 1.662231
276.2105 0.4002080
276.6926 0.6364140
277.1747 1.061157
277.6568 1.035461
278.1389 0.8421630
278.6211 0.5725710
279.1032 0.3294070
279.5853 0.6207280
280.0674 2.279785
280.5495 3.413086
281.0316 3.161194
281.5138 2.098816
281.9959 1.282654
282.4780 1.195007
282.9601 1.527954
283.4422 1.440430
283.9243 0.4840090
284.4065 1.2512000E-02
284.8886 0.5696410
285.3707 1.678833
285.8528 2.536926
286.3349 2.899536
286.8170 2.949585
287.2992 2.932495
287.7813 2.788940
288.2634 2.723694
288.7455 2.783997
289.2276 2.947083
289.7097 3.261658
290.1919 3.749146
290.6740 4.153992
291.1561 4.127991
291.6382 3.612610
292.1203 3.045349
292.6024 2.167114
293.0846 1.435303
293.5667 1.503418
294.0488 2.432434
294.5309 3.317139
295.0130 3.213501
295.4951 2.102234
295.9773 1.452820
296.4594 1.670471
296.9415 2.119324
297.4236 2.382202
297.9057 2.429321
298.3878 2.298645
298.8700 1.997498
299.3521 1.524170
299.8342 0.9752810
300.3163 0.3020020
300.7984 0.3903200
301.2805 1.220032
301.7627 2.081970
302.2448 2.440674
302.7269 1.790710
303.2090 0.6210330
303.6911 0.3924560
304.1732 1.513367
304.6554 2.806824
305.1375 3.773315
305.6196 4.516357
306.1017 5.389099
306.5838 6.649719
307.0659 7.863159
307.5481 8.002930
308.0302 6.787903
308.5123 5.881165
308.9944 5.823792
309.4765 6.420227
309.9586 7.446716
310.4408 8.909607
310.9229 10.50995
311.4050 11.83984
311.8871 12.90179
312.3692 13.90533
312.8513 14.69366
313.3335 15.53326
313.8156 16.82068
314.2977 18.62122
314.7798 20.52936
315.2619 22.13788
315.7440 23.48474
316.2262 25.07727
316.7083 27.29871
317.1904 29.53479
317.6725 31.19623
318.1546 32.30981
318.6367 33.36523
319.1188 34.61041
319.6010 36.08289
320.0831 37.83752
320.5652 40.08826
321.0473 42.40796
321.5294 44.65747
322.0115 46.80292
322.4937 48.71661
322.9758 50.23676
323.4579 51.58783
323.9400 53.31311
324.4221 55.49408
324.9042 57.79480
325.3864 60.00653
325.8685 62.27716
326.3506 64.97656
326.8327 68.28534
327.3148 71.83508
327.7969 75.03278
328.2791 77.80939
328.7612 80.70325
329.2433 83.60449
329.7254 86.75543
330.2075 90.52710
330.6896 94.98676
331.1718 99.69214
331.6539 104.1823
332.1360 108.4365
332.6181 113.1658
333.1002 118.7060
333.5823 124.4565
334.0645 129.8736
334.5466 134.9619
335.0287 140.4547
335.5108 147.0168
335.9929 154.4200
336.4750 160.7892
336.9572 164.8759
337.4393 169.3959
337.9214 175.5958
338.4035 183.0900
338.8856 190.9593
339.3677 198.8306
339.8499 206.6891
340.3320 214.4305
340.8141 221.7499
341.2962 229.4455
341.7783 238.5066
342.2604 247.7580
342.7426 255.7461
343.2247 262.0190
343.7068 266.7788
344.1889 270.2380
344.6710 272.0987
345.1531 273.1854
345.6353 273.6720
346.1174 273.2657
346.5995 271.2941
347.0816 267.9451
347.5637 264.4715
348.0458 262.0733
348.5280 260.8242
349.0101 259.0212
349.4922 256.6021
349.9743 253.8541
350.4564 250.7717
350.9385 247.4797
351.4207 244.0975
351.9028 240.6402
352.3849 237.2621
352.8670 234.6622
353.3491 232.6748
353.8312 231.7341
354.3134 231.7844
354.7955 232.9069
355.2776 235.1409
355.7597 238.5248
356.2418 243.2164
356.7239 249.5115
357.2061 257.6487
357.6882 267.2268
358.1703 278.6974
358.6524 291.1144
359.1345 304.0602
359.6166 317.3781
360.0987 330.7337
360.5808 343.9548
361.0630 357.1188
361.5451 369.3240
362.0272 381.4319
362.5093 391.7523
362.9914 399.8027
363.4735 405.6489
363.9557 409.2184
364.4378 410.4037
364.9199 409.5521
365.4020 408.1443
365.8841 406.5703
366.3662 403.7637
366.8484 398.9270
367.3305 393.2405
367.8126 388.0794
368.2947 383.8364
368.7768 379.4262
369.2589 373.0771
369.7411 364.2938
370.2232 354.9852
370.7053 345.4968
371.1874 335.2423
371.6695 323.6354
372.1516 310.8195
372.6338 297.2603
373.1159 283.4102
373.5980 269.3060
374.0801 254.7525
374.5622 238.8641
375.0443 223.5664
375.5265 209.3058
376.0086 195.9691
376.4907 183.5205
376.9728 171.8669
377.4549 161.0323
377.9370 150.9856
378.4192 141.6421
378.9013 133.3069
379.3834 126.0126
379.8655 119.7433
380.3476 114.8380
380.8297 111.3646
381.3119 108.4028
381.7940 104.7984
382.2761 100.5647
382.7582 97.39636
383.2403 95.89844
383.7224 95.17203
384.2046 94.61835
384.6867 94.24811
385.1688 94.06281
385.6509 93.83972
386.1330 93.83652
386.6151 94.77121
387.0973 96.84622
387.5794 99.28204
388.0615 101.8059
388.5436 104.3750
389.0257 106.8761
389.5078 109.0936
389.9900 111.5870
390.4721 114.9910
390.9542 119.2112
391.4363 123.4581
391.9184 127.5714
392.4005 131.4734
392.8827 134.9091
393.3648 137.8033
393.8469 141.1440
394.3290 145.5265
394.8111 150.5259
395.2932 155.4478
395.7754 160.2306
396.2575 164.9729
396.7396 169.5838
397.2217 174.1875
397.7038 179.7415
398.1859 186.8682
398.6681 194.5089
399.1501 201.9907
399.6323 209.4032
400.1144 217.0995
400.5965 225.2021
401.0786 233.7763
401.5607 243.0424
402.0428 253.8616
402.5250 263.7776
403.0071 272.0348
403.4892 279.3232
403.9713 286.6497
404.4534 294.1455
404.9355 300.7751
405.4177 305.3169
405.8998 307.5094
406.3819 308.3829
406.8640 308.3288
407.3461 306.7974
407.8282 303.3389
408.3104 298.1672
408.7925 291.8547
409.2746 284.6949
409.7567 276.6240
410.2388 267.2248
410.7209 255.8032
411.2031 243.8399
411.6852 231.1896
412.1673 218.2119
412.6494 205.0241
413.1315 191.7355
413.6136 178.7312
414.0958 166.7823
414.5779 156.3904
415.0600 144.7986
415.5421 129.9851
416.0242 115.8958
416.5063 104.1932
416.9885 94.45117
417.4706 85.55826
417.9527 76.67786
418.4348 68.13812
418.9169 61.07404
419.3990 56.18124
419.8812 51.32687
420.3633 45.50574
420.8454 39.63782
421.3275 34.62335
421.8096 30.68857
422.2917 27.36371
422.7739 24.32486
423.2560 21.56100
423.7381 18.71426
424.2202 15.55350
424.7023 12.55954
425.1844 10.12024
425.6666 8.130127
426.1487 6.197693
426.6308 3.907379
427.1129 1.689819
427.5950 0.2529300
428.0771 0.3846740
428.5593 0.6740110
429.0414 0.5861510
429.5235 0.4299010
430.0056 0.8410640
430.4877 1.980865
430.9698 3.319092
431.4520 4.815979
431.9341 6.285553
432.4162 7.339203
432.8983 7.856445
433.3804 8.066956
433.8625 8.174377
434.3447 8.155487
434.8268 8.241913
435.3089 8.703461
435.7910 9.051819
436.2731 8.787445
436.7552 8.089783
437.2374 7.651642
437.7195 7.935516
438.2016 8.661774
438.6837 8.747864
439.1658 7.805664
439.6479 6.700653
440.1301 5.281555
440.6122 3.839355
441.0943 2.695404
441.5764 1.891876
442.0585 1.197662
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