#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:19 +0300 (Thu, 24 May 2018) $
#$Revision: 859 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100033.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100033
loop_
_publ_author_name
'Merlino, S.'
'Sartori, F.'
_publ_section_title
;
 The crystal structure of lardellite, NH4B5O7(OH)2*H2O Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2264
_journal_page_last               2270
_journal_paper_doi               10.1107/S0567740869005541
_journal_volume                  25
_journal_year                    1969
_chemical_compound_source        R130392
_chemical_formula_sum            'B5 H4 N O10'
_chemical_name_mineral           Larderellite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.08
_cell_angle_gamma                90
_cell_length_a                   9.47
_cell_length_b                   7.63
_cell_length_c                   11.65
_cell_volume                     835.365
_exptl_crystal_density_diffrn    1.845
_cod_original_formula_sum        'N B5 O10 H4'
_cod_database_code               9011101
_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            R130392.rod
_rod_data_source.block           3500000
_rod_database.code               2100033
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 9011101 COD http://www.crystallography.net/cod/9011101.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
191.5704 0.0000000E+00
192.0525 1.195770
192.5346 1.837418
193.0167 1.544823
193.4988 0.5159150
193.9810 1.0452000E-02
194.4631 6.4025998E-02
194.9452 0.8704610
195.4273 1.526115
195.9094 2.373573
196.3915 2.602051
196.8737 1.838249
197.3558 0.4680330
197.8379 0.1309890
198.3200 0.1366200
198.8021 0.6478200
199.2842 0.9402540
199.7664 1.004349
200.2485 1.065186
200.7306 1.176651
201.2127 1.324631
201.6948 1.443100
202.1769 1.558876
202.6591 1.648758
203.1412 1.606857
203.6233 1.356049
204.1054 1.197289
204.5875 1.141365
205.0696 1.186935
205.5518 1.566322
206.0339 2.449341
206.5160 3.366531
206.9981 3.830833
207.4802 3.857574
207.9623 3.724358
208.4445 3.430420
208.9266 2.974792
209.4087 2.641327
209.8908 2.467369
210.3729 2.342659
210.8550 2.154007
211.3372 1.919487
211.8193 1.678246
212.3014 1.407967
212.7835 1.132690
213.2656 1.105904
213.7477 1.394234
214.2298 1.732170
214.7120 1.917480
215.1941 2.740997
215.6762 3.313431
216.1583 3.201347
216.6404 2.584129
217.1225 2.472549
217.6047 3.178810
218.0868 4.070663
218.5689 4.400856
219.0510 3.579643
219.5331 2.695412
220.0152 1.947273
220.4974 1.333054
220.9795 1.242462
221.4616 2.054962
221.9437 3.154449
222.4258 3.632195
222.9079 3.426437
223.3901 3.143547
223.8722 2.926643
224.3543 2.769768
224.8364 2.726608
225.3185 2.869392
225.8006 3.056496
226.2828 3.104759
226.7649 2.959953
227.2470 2.770897
227.7291 2.527771
228.2112 2.182022
228.6933 2.146576
229.1755 2.644073
229.6576 3.255432
230.1397 3.407288
230.6218 2.865593
231.1039 2.296494
231.5860 1.878952
232.0682 1.631897
232.5503 1.366859
233.0324 1.090950
233.5145 0.7970960
233.9966 0.4637680
234.4787 5.6526002E-02
234.9609 0.3274540
235.4430 0.7247160
235.9251 1.192802
236.4072 1.220352
236.8893 0.4730380
237.3714 0.4381030
237.8536 0.6849670
238.3357 0.2535630
238.8178 0.9368060
239.2999 0.9092410
239.7820 4.2885002E-02
240.2641 0.5427930
240.7463 0.7455750
241.2284 0.7511370
241.7105 0.7878270
242.1926 0.9133450
242.6747 0.9596560
243.1568 0.8792950
243.6390 0.6622470
244.1211 0.3801040
244.6032 8.7058999E-02
245.0853 0.5166700
245.5674 0.6214450
246.0495 0.1969150
246.5317 0.1783830
247.0138 0.3833690
247.4959 0.4108280
247.9780 0.3484730
248.4601 0.1447910
248.9422 9.4269000E-02
249.4244 0.1904750
249.9065 0.1091920
250.3886 0.1061780
250.8707 0.3033370
251.3528 0.7177810
251.8349 0.8503800
252.3171 0.5942690
252.7992 0.1661830
253.2813 0.2185590
253.7634 0.5308300
254.2455 0.8583450
254.7276 1.248405
255.2098 1.702530
255.6919 1.983032
256.1740 2.069496
256.6561 2.058281
257.1382 1.985298
257.6204 1.672737
258.1025 1.741501
258.5846 2.452721
259.0667 3.763252
259.5488 4.647942
260.0309 4.875092
260.5131 4.993553
260.9952 5.498108
261.4773 6.528564
261.9594 7.568153
262.4415 8.552177
262.9236 9.484528
263.4058 10.23176
263.8879 10.57708
264.3700 11.11444
264.8521 12.46203
265.3342 14.94621
265.8163 17.07610
266.2985 18.47711
266.7806 19.31694
267.2627 20.65767
267.7448 22.68976
268.2269 24.80569
268.7090 26.53337
269.1912 27.79131
269.6733 29.03740
270.1554 30.22359
270.6375 31.46372
271.1196 33.22688
271.6017 35.62166
272.0839 38.22729
272.5660 40.65968
273.0481 42.84959
273.5302 45.38586
274.0123 48.38739
274.4944 51.75345
274.9766 55.21218
275.4587 58.71328
275.9408 62.48882
276.4229 66.64042
276.9050 71.20661
277.3871 75.90348
277.8693 80.72739
278.3514 85.65190
278.8335 90.67175
279.3156 95.88152
279.7977 100.9619
280.2798 106.0925
280.7620 111.2396
281.2441 114.9269
281.7262 116.9895
282.2083 117.7383
282.6904 117.7746
283.1725 117.1298
283.6547 115.3340
284.1368 111.9592
284.6189 107.1138
285.1010 101.6468
285.5831 95.50787
286.0652 88.94434
286.5474 82.07197
287.0295 74.90809
287.5116 68.17753
287.9937 62.21940
288.4758 56.92986
288.9579 52.02604
289.4401 47.43345
289.9222 43.31918
290.4043 39.98814
290.8864 37.38313
291.3685 35.04288
291.8506 32.79752
292.3328 30.68036
292.8149 28.94409
293.2970 27.59752
293.7791 26.37971
294.2612 25.00903
294.7433 23.60858
295.2255 22.50038
295.7076 21.79563
296.1897 21.34517
296.6718 20.96719
297.1539 20.70686
297.6360 20.61066
298.1182 20.66888
298.6003 20.83615
299.0824 21.04544
299.5645 21.29649
300.0466 21.56389
300.5287 21.78684
301.0109 21.97613
301.4930 22.21974
301.9751 22.59084
302.4572 23.04495
302.9393 23.50361
303.4214 23.97066
303.9036 24.50762
304.3857 25.13467
304.8678 25.83144
305.3499 26.58895
305.8320 27.52457
306.3141 28.46532
306.7963 29.12621
307.2784 29.36148
307.7605 29.63984
308.2426 30.42136
308.7247 31.53078
309.2068 32.56313
309.6890 33.41393
310.1711 34.09700
310.6532 34.57606
311.1353 34.80167
311.6174 34.91988
312.0995 35.08730
312.5817 35.19930
313.0638 35.09078
313.5459 34.64952
314.0280 33.99605
314.5101 33.19655
314.9922 32.26172
315.4744 31.17496
315.9565 29.84612
316.4386 28.39487
316.9207 26.97624
317.4028 25.73936
317.8849 24.44037
318.3671 22.94115
318.8492 21.23931
319.3313 19.58482
319.8134 17.94580
320.2955 16.43808
320.7776 15.17223
321.2598 14.44681
321.7419 13.65385
322.2240 12.56344
322.7061 11.24728
323.1882 10.08770
323.6703 9.198685
324.1525 8.452339
324.6346 7.789055
325.1167 7.186897
325.5988 6.678108
326.0809 6.340851
326.5630 6.106850
327.0452 5.786362
327.5273 5.313347
328.0094 4.805855
328.4915 4.274712
328.9736 3.606087
329.4557 3.186195
329.9379 3.173622
330.4200 3.358925
330.9021 3.406288
331.3842 3.210594
331.8663 3.013107
332.3484 2.859642
332.8306 2.745728
333.3127 2.737000
333.7948 2.916412
334.2769 3.125710
334.7590 3.164032
335.2411 2.899269
335.7233 2.773766
336.2054 2.970856
336.6875 3.454239
337.1696 3.547890
337.6517 3.100296
338.1338 2.558769
338.6159 2.268837
339.0981 2.229424
339.5802 2.409492
340.0623 2.886131
340.5444 3.546577
341.0265 3.957649
341.5086 4.078110
341.9908 4.163727
342.4729 4.326088
342.9550 4.564812
343.4371 5.083908
343.9192 6.011726
344.4013 7.012825
344.8835 7.341240
345.3656 6.984459
345.8477 6.648384
346.3298 6.752083
346.8119 7.220329
347.2940 7.767044
347.7762 8.404503
348.2583 8.985939
348.7404 9.415199
349.2225 9.681587
349.7046 9.749908
350.1867 9.501259
350.6689 9.065830
351.1510 8.669861
351.6331 8.311825
352.1152 7.989773
352.5973 7.809666
353.0794 7.650055
353.5616 7.264046
354.0437 6.440681
354.5258 5.573372
355.0079 5.011250
355.4900 4.725060
355.9721 4.602676
356.4543 4.709900
356.9364 4.911201
357.4185 5.054932
357.9006 5.077122
358.3827 5.056377
358.8648 5.056404
359.3470 5.058796
359.8291 5.026154
360.3112 4.827393
360.7933 4.669586
361.2754 4.658707
361.7575 4.812073
362.2397 5.160767
362.7218 5.983147
363.2039 6.886089
363.6860 7.441967
364.1681 7.164204
364.6502 6.888199
365.1324 6.872246
365.6145 7.115986
366.0966 7.447029
366.5787 7.769707
367.0608 8.172157
367.5429 8.732903
368.0251 9.779297
368.5072 10.60833
368.9893 11.01305
369.4714 11.14198
369.9535 11.46402
370.4356 12.03928
370.9178 12.73501
371.3999 13.50907
371.8820 14.40490
372.3641 15.28790
372.8462 16.17169
373.3283 17.03053
373.8105 17.85737
374.2926 18.73898
374.7747 19.35193
375.2568 19.59040
375.7389 19.45279
376.2210 19.17603
376.7032 18.74853
377.1853 18.19409
377.6674 17.53723
378.1495 16.78336
378.6316 15.82655
379.1137 14.54969
379.5959 13.10806
380.0780 11.93876
380.5601 11.06171
381.0422 10.33300
381.5243 9.716610
382.0064 9.178566
382.4886 8.557365
382.9707 7.806297
383.4528 7.048092
383.9349 6.404312
384.4170 5.880821
384.8991 5.508369
385.3813 5.417473
385.8634 5.443661
386.3455 5.277210
386.8276 4.903465
387.3097 4.494164
387.7918 4.206951
388.2740 3.979435
388.7561 3.697624
389.2382 3.216129
389.7203 2.764709
390.2024 2.611778
390.6845 2.693878
391.1667 2.706543
391.6488 2.420586
392.1309 2.024673
392.6130 1.678085
393.0951 1.444176
393.5772 1.203789
394.0594 0.8692700
394.5415 0.5009120
395.0236 0.2103650
395.5057 7.0231996E-02
395.9878 0.1766550
396.4699 6.2950000E-02
396.9521 0.7508660
397.4342 1.181690
397.9163 1.082478
398.3984 0.7579420
398.8805 0.4860920
399.3626 0.3410680
399.8448 0.1850430
400.3269 1.5068000E-02
400.8090 0.2492140
401.2911 0.4404950
401.7732 0.6752550
402.2553 0.7699170
402.7375 0.5745770
403.2196 0.1634830
403.7017 0.5244220
404.1838 0.3230130
404.6659 0.1266250
405.1480 0.1394270
405.6302 0.4675670
406.1123 0.8271900
406.5944 0.5079920
407.0765 0.4464000
407.5586 1.028034
408.0407 1.201744
408.5229 1.158943
409.0050 1.054634
409.4871 0.8923530
409.9692 0.7124560
410.4513 0.5045550
410.9334 0.3056140
411.4156 0.2161250
411.8977 0.2270360
412.3798 0.2285420
412.8619 9.0640999E-02
413.3440 9.8412000E-02
413.8261 0.1269490
414.3083 6.5388002E-02
414.7904 0.2328380
415.2725 2.8526001E-02
415.7546 0.3749660
416.2367 0.6223370
416.7188 0.4027600
417.2010 7.0525996E-02
417.6831 8.3991997E-02
418.1652 6.4629003E-02
418.6473 6.1760001E-02
419.1294 0.2549170
419.6115 0.4722400
420.0937 0.5559080
420.5758 0.4219280
421.0579 0.2202300
421.5400 0.1158140
422.0221 0.4883690
422.5042 0.6634290
422.9864 0.2755580
423.4685 4.7981001E-02
423.9506 2.6520001E-02
424.4327 0.4987110
424.9148 0.8916090
425.3969 1.159260
425.8791 1.270737
426.3612 1.168163
426.8433 0.5827940
427.3254 0.2216990
427.8075 0.2763440
428.2896 0.6718640
428.7718 0.8771740
429.2539 0.8498340
429.7360 0.7151260
430.2181 0.5040170
430.7002 0.1823730
431.1823 2.2892000E-02
431.6645 7.0125997E-02
432.1466 0.2255520
432.6287 0.3064190
433.1108 0.3099520
433.5929 0.3980060
434.0750 0.7049480
434.5572 1.135384
435.0393 1.346642
435.5214 1.334915
436.0035 1.270237
436.4856 1.350368
436.9677 1.492516
437.4499 1.449863
437.9320 1.048546
438.4141 0.6865230
438.8962 0.9322240
439.3783 1.600315
439.8604 2.147526
440.3426 2.174652
440.8247 2.022835
441.3068 1.959049
441.7889 2.009106
442.2710 2.115688
442.7531 2.315418
443.2353 2.529961
443.7174 2.678055
444.1995 2.564163
444.6816 2.562416
445.1637 2.847889
445.6458 3.355492
446.1280 3.793087
446.6101 4.044048
447.0922 4.277729
447.5743 4.620193
448.0564 5.299381
448.5385 5.481163
449.0207 4.732193
449.5028 3.757843
449.9849 3.519405
450.4670 4.342682
450.9491 5.172245
451.4312 5.806210
451.9134 6.257702
452.3955 6.568977
452.8776 6.698513
453.3597 6.817562
453.8418 6.989189
454.3239 7.224922
454.8061 7.758617
455.2882 8.681675
455.7703 9.701820
456.2524 10.33113
456.7345 10.62580
457.2166 10.90675
457.6988 11.37548
458.1809 11.89246
458.6630 12.21923
459.1451 12.35556
459.6272 12.37671
460.1093 12.25793
460.5915 12.11663
461.0736 12.11754
461.5557 12.30776
462.0378 12.50162
462.5199 12.63519
463.0020 12.68462
463.4842 12.59731
463.9663 12.10084
464.4484 11.65714
464.9305 11.47053
465.4126 11.55691
465.8947 11.73293
466.3769 12.06440
466.8590 12.43190
467.3411 12.74741
467.8232 12.82972
468.3053 13.11163
468.7874 13.73636
469.2696 14.53474
469.7517 15.12158
470.2338 15.51931
470.7159 15.66003
471.1980 15.48669
471.6801 14.97952
472.1623 14.34908
472.6444 13.57495
473.1265 12.77753
473.6086 12.03832
474.0907 11.34911
474.5728 10.74485
475.0550 10.21147
475.5371 9.784107
476.0192 9.575294
476.5013 9.562416
476.9834 9.614101
477.4655 9.618000
477.9477 9.674809
478.4298 9.996925
478.9119 10.60297
479.3940 11.26112
479.8761 11.70437
480.3582 12.08944
480.8404 12.62526
481.3225 13.40932
481.8046 14.28731
482.2867 15.26952
482.7688 16.29079
483.2509 17.21383
483.7331 17.69865
484.2152 18.33085
484.6973 19.40327
485.1794 21.01710
485.6615 22.67101
486.1436 24.37518
486.6258 26.08514
487.1079 27.75499
487.5900 29.22565
488.0721 30.92400
488.5542 32.92046
489.0363 35.12333
489.5185 37.27401
490.0006 39.26600
490.4827 41.50027
490.9648 44.12189
491.4469 47.13365
491.9290 50.43932
492.4112 54.04613
492.8933 57.83691
493.3754 61.82438
493.8575 65.93709
494.3396 69.80041
494.8217 73.32159
495.3039 76.52406
495.7860 79.66235
496.2681 82.53132
496.7502 84.41871
497.2323 85.20149
497.7144 84.68304
498.1966 82.54256
498.6787 78.74760
499.1608 74.05157
499.6429 68.26907
500.1250 62.05104
500.6071 55.78962
501.0893 49.22978
501.5714 43.21738
502.0535 37.85686
502.5356 33.14410
503.0177 29.03331
503.4998 25.60542
503.9820 22.61796
504.4641 20.08057
504.9462 17.99813
505.4283 16.14455
505.9104 14.57326
506.3925 13.17151
506.8747 11.87080
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