#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 924 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000397.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_1000397
loop_
_publ_author_name
'Nagai, T.'
'Hattori, T.'
'Yamanaka, T.'
_publ_section_title
;
 Compression mechanism of brucite: An investigation by the structural
 refinement under pressure Sample: P = .6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              760
_journal_page_last               764
_journal_volume                  85
_journal_year                    2000
_chemical_compound_source        R050455
_chemical_formula_sum            'H2 Mg O2'
_chemical_name_mineral           Brucite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.1264
_cell_length_b                   3.1264
_cell_length_c                   4.7315
_cell_volume                     40.051
_diffrn_ambient_pressure         6e+05
_exptl_crystal_density_diffrn    2.334
_cod_original_formula_sum        'Mg H2 O2'
_cod_database_code               9002348
_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            R050455.rod
_rod_data_source.block           3500000
_rod_database.code               1000397
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 9002348 COD http://www.crystallography.net/cod/9002348.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
159.9505 0.0000000E+00
160.4326 0.9359740
160.9147 2.582764
161.3969 3.693359
161.8790 3.426819
162.3611 2.805664
162.8432 2.153625
163.3253 1.309509
163.8074 0.8466800
164.2896 1.503235
164.7717 3.165344
165.2538 3.913574
165.7359 3.046143
166.2180 1.858582
166.7001 1.090942
167.1823 1.132202
167.6644 1.039734
168.1465 0.8656010
168.6286 0.2786250
169.1107 0.1010130
169.5928 0.2702030
170.0750 6.2927000E-02
170.5571 0.5119630
171.0392 1.970764
171.5213 3.235168
172.0034 3.201660
172.4855 2.106140
172.9677 0.9536740
173.4498 0.2587280
173.9319 5.5785999E-02
174.4140 4.4861000E-02
174.8961 0.5745850
175.3782 1.175598
175.8604 0.4052730
176.3425 1.254944
176.8246 2.189697
177.3067 2.446655
177.7888 3.2410000E-02
178.2709 1.068604
178.7531 0.7467040
179.2352 0.3626710
179.7173 1.958862
180.1994 0.1027830
180.6815 1.456238
181.1636 1.566589
181.6458 2.336792
182.1279 1.671692
182.6100 1.447449
183.0921 2.655762
183.5742 3.068848
184.0563 2.233704
184.5385 3.036560
185.0206 0.9083860
185.5027 1.351501
185.9848 2.903992
186.4669 2.135864
186.9490 2.962341
187.4312 3.181396
187.9133 2.697205
188.3954 3.631958
188.8775 3.776794
189.3596 3.198120
189.8417 2.553955
190.3239 1.858032
190.8060 1.246521
191.2881 1.623230
191.7702 3.180054
192.2523 4.959961
192.7344 5.635864
193.2166 5.213684
193.6987 4.954346
194.1808 5.221497
194.6629 5.910461
195.1450 7.201233
195.6271 9.520569
196.1093 11.78101
196.5914 11.72742
197.0735 9.012390
197.5556 7.229736
198.0377 8.507874
198.5198 12.89008
199.0020 15.22205
199.4841 15.10010
199.9662 13.62103
200.4483 12.20581
200.9304 10.70172
201.4125 10.13660
201.8947 11.40857
202.3768 14.73425
202.8589 17.18811
203.3410 18.83380
203.8231 19.51849
204.3052 18.53326
204.7874 15.41205
205.2695 12.61182
205.7516 11.47864
206.2337 12.35229
206.7158 12.53101
207.1979 11.75830
207.6801 10.51367
208.1622 9.829712
208.6443 9.860718
209.1264 9.970459
209.6085 9.844116
210.0906 9.399536
210.5728 9.099854
211.0549 8.968262
211.5370 8.975586
212.0191 9.149658
212.5012 9.713623
212.9833 9.936768
213.4655 9.403687
213.9476 7.923828
214.4297 6.358765
214.9118 4.429932
215.3939 2.588379
215.8760 2.038818
216.3581 3.241455
216.8403 4.784180
217.3224 6.023315
217.8045 6.966309
218.2866 7.608643
218.7687 7.818604
219.2508 7.743530
219.7330 7.836670
220.2151 8.310425
220.6972 8.497070
221.1793 7.939819
221.6614 6.150757
222.1435 4.882202
222.6257 4.271118
223.1078 4.151001
223.5899 4.113525
224.0720 4.333618
224.5541 4.373779
225.0362 4.040894
225.5184 3.257935
226.0005 2.315918
226.4826 1.075073
226.9647 0.2681880
227.4468 1.140625
227.9289 1.282593
228.4111 1.241699
228.8932 1.239868
229.3753 1.180542
229.8574 1.382935
230.3395 2.007690
230.8216 2.852295
231.3038 3.390015
231.7859 3.705811
232.2680 3.607788
232.7501 2.983398
233.2322 1.710938
233.7143 0.2318120
234.1965 1.946655
234.6786 4.271851
235.1607 5.148804
235.6428 3.321777
236.1249 1.836792
236.6070 2.193359
237.0892 5.700439
237.5713 8.088867
238.0534 9.007935
238.5355 8.895630
239.0176 8.711914
239.4997 8.174805
239.9819 7.977051
240.4640 8.507324
240.9461 10.29797
241.4282 11.57117
241.9103 12.22327
242.3924 12.40283
242.8746 12.41016
243.3567 12.08020
243.8388 11.85779
244.3209 11.96606
244.8030 12.59216
245.2851 13.02283
245.7673 12.88733
246.2494 12.72546
246.7315 13.86438
247.2136 17.37598
247.6957 20.50024
248.1778 22.03015
248.6600 21.22192
249.1421 21.02051
249.6242 21.46460
250.1063 22.48572
250.5884 24.13831
251.0705 27.26758
251.5527 29.54736
252.0348 29.57373
252.5169 25.94507
252.9990 25.37793
253.4811 29.29956
253.9632 35.34741
254.4454 39.23767
254.9275 40.08765
255.4096 40.50073
255.8917 41.16638
256.3738 41.94519
256.8560 43.71887
257.3381 47.07422
257.8202 50.94775
258.3023 53.57922
258.7844 54.02649
259.2665 55.23950
259.7487 58.37183
260.2308 63.76685
260.7129 68.54675
261.1950 72.36658
261.6771 75.91833
262.1592 80.06494
262.6414 84.71667
263.1235 90.13708
263.6056 96.75867
264.0877 104.8300
264.5698 111.0022
265.0519 114.3773
265.5341 117.0624
266.0162 121.7125
266.4983 128.8960
266.9804 136.1923
267.4625 143.0610
267.9446 149.4509
268.4268 156.1017
268.9089 162.8521
269.3910 169.8958
269.8731 177.4708
270.3552 185.5253
270.8373 194.1582
271.3195 203.7300
271.8016 214.0493
272.2837 223.3521
272.7658 231.2351
273.2479 239.2665
273.7300 249.6920
274.2122 263.1770
274.6943 274.6179
275.1764 282.4529
275.6585 287.3953
276.1406 293.5322
276.6227 301.5157
277.1049 308.5925
277.5870 312.8643
278.0691 314.3601
278.5512 312.7117
279.0333 307.5193
279.5154 299.3228
279.9976 289.9030
280.4797 279.2841
280.9618 267.1451
281.4439 252.2931
281.9260 234.7450
282.4081 218.1709
282.8903 203.2997
283.3724 189.3453
283.8545 173.8370
284.3366 156.4918
284.8187 140.4645
285.3008 128.1516
285.7830 119.2860
286.2651 111.7930
286.7472 105.7395
287.2293 100.3744
287.7114 94.16760
288.1935 87.09949
288.6757 80.27893
289.1578 74.40295
289.6399 69.35059
290.1220 64.75146
290.6041 60.57397
291.0862 56.91455
291.5684 53.82312
292.0505 51.24072
292.5326 49.25842
293.0147 48.72400
293.4968 48.85071
293.9789 46.90735
294.4611 42.59998
294.9432 37.72546
295.4253 34.28711
295.9074 32.06958
296.3895 30.18225
296.8716 28.30103
297.3538 26.47949
297.8359 24.84607
298.3180 23.40063
298.8001 21.99316
299.2822 20.60974
299.7643 19.15027
300.2465 17.32593
300.7286 14.34338
301.2107 11.40686
301.6928 10.46936
302.1749 11.42676
302.6570 12.62720
303.1392 13.13477
303.6213 12.94019
304.1034 11.93982
304.5855 9.641235
305.0676 7.074585
305.5497 4.908081
306.0319 3.232544
306.5140 2.421875
306.9961 3.625244
307.4782 5.503662
307.9603 6.406128
308.4424 5.597412
308.9246 4.354736
309.4067 3.432129
309.8888 2.820313
310.3709 2.509644
310.8530 2.906982
311.3351 3.365356
311.8173 3.242798
312.2994 2.247314
312.7815 1.274658
313.2636 0.8951420
313.7457 0.9135740
314.2278 0.9871830
314.7100 0.7357180
315.1921 0.6840820
315.6742 1.380859
316.1563 3.072266
316.6384 4.328857
317.1205 3.924561
317.6027 2.884155
318.0848 2.502686
318.5669 3.753296
319.0490 5.225952
319.5311 6.270508
320.0132 6.826050
320.4954 7.696655
320.9775 10.09631
321.4596 12.42004
321.9417 13.25476
322.4238 10.12231
322.9059 7.740967
323.3881 7.861694
323.8702 10.32007
324.3523 11.73108
324.8344 9.983765
325.3165 7.967041
325.7986 7.364990
326.2808 10.56384
326.7629 12.62231
327.2450 12.73840
327.7271 11.41663
328.2092 10.49731
328.6913 9.869263
329.1735 9.675659
329.6556 10.07678
330.1377 11.98511
330.6198 12.78040
331.1019 11.93152
331.5840 10.10339
332.0662 8.421631
332.5483 5.951172
333.0304 5.107178
333.5125 7.333740
333.9946 13.75024
334.4767 16.72058
334.9589 14.45239
335.4410 10.44556
335.9231 9.392578
336.4052 12.69824
336.8873 15.26575
337.3694 15.65198
337.8516 14.00903
338.3336 12.90967
338.8158 12.60339
339.2979 12.35754
339.7800 11.16663
340.2621 8.733398
340.7442 7.766846
341.2263 9.311157
341.7085 12.38513
342.1906 13.42371
342.6727 12.18237
343.1548 10.52905
343.6369 9.696655
344.1190 9.634155
344.6012 9.670898
345.0833 9.855469
345.5654 9.839233
346.0475 8.584961
346.5296 6.194214
347.0117 4.390869
347.4939 4.443970
347.9760 5.835693
348.4581 7.213745
348.9402 8.630859
349.4223 9.333740
349.9044 7.547485
350.3866 4.134766
350.8687 2.043945
351.3508 3.699707
351.8329 6.849121
352.3150 7.957397
352.7971 7.068359
353.2793 5.573120
353.7614 3.747437
354.2435 2.193604
354.7256 2.020386
355.2077 4.590942
355.6898 7.324097
356.1720 7.715942
356.6541 6.204590
357.1362 4.710938
357.6183 4.412842
358.1004 4.578613
358.5826 4.494019
359.0647 3.829102
359.5468 3.405884
360.0289 3.862305
360.5110 4.858643
360.9931 5.752808
361.4753 6.707764
361.9574 7.153442
362.4395 6.414917
362.9216 4.119019
363.4037 2.718872
363.8858 4.221191
364.3680 6.497437
364.8501 7.311157
365.3322 4.214600
365.8143 1.654663
366.2964 1.020630
366.7785 2.293091
367.2607 3.199219
367.7428 2.867920
368.2249 2.570313
368.7070 3.104370
369.1891 6.076050
369.6712 7.722412
370.1534 7.266479
370.6355 5.382202
371.1176 4.176514
371.5997 3.794312
372.0818 3.855103
372.5639 4.318237
373.0461 5.477051
373.5282 5.909546
374.0103 5.227661
374.4924 4.154419
374.9745 3.985840
375.4566 5.228760
375.9388 5.728394
376.4209 4.457642
376.9030 1.605591
377.3851 0.4600830
377.8672 1.378052
378.3493 2.918701
378.8315 3.971924
379.3136 4.576660
379.7957 4.274170
380.2778 2.789429
380.7599 0.5762940
381.2420 1.647583
381.7242 3.855713
382.2063 5.274292
382.6884 4.971069
383.1705 3.417847
383.6526 2.159912
384.1347 1.341797
384.6169 0.9487300
385.0990 1.318970
385.5811 2.209473
386.0632 2.784668
386.5453 2.388794
387.0274 1.579590
387.5096 1.085083
387.9917 0.9106450
388.4738 0.8332520
388.9559 0.5251460
389.4380 0.2397460
389.9201 0.3612060
390.4023 1.514648
390.8844 2.489502
391.3665 2.419922
391.8486 1.468384
392.3307 0.2541500
392.8128 1.508301
393.2950 3.030396
393.7771 3.688110
394.2592 3.031250
394.7413 2.393311
395.2234 2.159790
395.7055 2.193848
396.1877 2.294800
396.6698 1.789185
397.1519 1.933228
397.6340 3.505737
398.1161 6.787109
398.5982 9.153076
399.0804 10.23950
399.5625 10.49573
400.0446 10.19141
400.5267 8.373779
401.0088 7.485840
401.4909 8.211426
401.9731 10.09070
402.4552 11.01147
402.9373 9.802856
403.4194 9.566040
403.9015 12.28687
404.3836 19.25098
404.8658 23.84888
405.3479 25.30847
405.8300 25.35059
406.3121 26.70947
406.7942 29.64172
407.2763 31.92212
407.7585 32.42065
408.2406 31.60303
408.7227 32.24182
409.2048 34.42749
409.6869 37.10547
410.1690 39.72913
410.6512 42.13757
411.1333 43.52832
411.6154 43.43982
412.0975 42.86279
412.5796 42.92261
413.0617 43.70386
413.5439 45.57983
414.0260 49.84729
414.5081 54.96826
414.9902 58.78186
415.4723 61.13611
415.9544 62.52087
416.4366 62.38123
416.9187 61.71533
417.4008 62.01001
417.8829 64.51257
418.3650 67.59106
418.8471 69.95581
419.3293 71.82874
419.8114 74.78821
420.2935 80.02039
420.7756 86.24011
421.2577 92.38525
421.7398 97.86914
422.2220 104.2876
422.7041 112.5137
423.1862 121.8682
423.6683 131.1425
424.1504 140.3732
424.6325 149.4767
425.1147 157.6016
425.5968 164.3781
426.0789 174.6342
426.5610 190.5748
427.0431 207.9982
427.5252 223.1318
428.0074 234.2684
428.4895 247.1464
428.9716 262.6759
429.4537 280.0492
429.9358 296.4828
430.4179 311.6133
430.9001 326.8632
431.3822 342.8446
431.8643 359.5658
432.3464 376.0625
432.8285 392.0341
433.3106 408.7651
433.7928 427.8309
434.2749 449.1372
434.7570 471.9362
435.2391 496.0808
435.7212 521.5131
436.2033 548.1018
436.6855 575.6702
437.1676 604.7097
437.6497 635.8318
438.1318 668.5228
438.6139 702.4662
439.0960 738.0851
439.5782 772.7197
440.0603 805.4023
440.5424 835.7183
441.0245 862.2970
441.5066 886.5266
441.9887 905.5039
442.4709 919.6094
442.9530 928.4482
443.4351 925.0923
443.9172 904.1616
444.3993 871.6606
444.8814 832.0510
445.3636 782.5807
445.8457 730.3959
446.3278 674.0067
446.8099 615.8152
447.2920 560.1921
447.7741 506.3654
448.2563 455.6165
448.7384 409.1055
449.2205 366.4004
449.7026 328.1736
450.1847 295.1711
450.6668 266.2635
451.1490 240.7908
451.6311 218.9978
452.1132 199.5187
452.5953 182.0062
453.0774 166.6533
453.5595 153.4662
454.0417 142.5570
454.5238 132.2705
455.0059 120.9147
455.4880 109.1415
455.9701 100.1482
456.4522 94.27478
456.9344 89.81677
457.4165 85.48450
457.8986 81.11816
458.3807 76.35950
458.8628 70.70935
459.3449 64.98926
459.8271 59.76868
460.3092 55.14880
460.7913 51.45496
461.2734 49.31750
461.7555 47.93384
462.2376 46.79797
462.7198 46.00586
463.2019 44.70142
463.6840 42.18945
464.1661 39.12268
464.6482 36.24451
465.1303 33.32251
465.6125 30.87463
466.0946 29.68042
466.5767 29.51685
467.0588 28.13599
467.5409 23.89404
468.0230 19.71143
468.5052 16.98975
468.9873 16.68750
469.4694 15.34827
469.9515 12.03552
470.4336 8.521362
470.9157 7.729004
471.3979 10.78931
471.8800 12.72632
472.3621 12.04089
472.8442 9.268066
473.3263 6.792114
473.8084 4.618652
474.2906 2.671875
474.7727 0.6329350
475.2548 1.316650
475.7369 2.135376
476.2190 1.587158
476.7011 0.4796140
477.1833 0.2905270
477.6654 0.8403320
478.1475 1.502808
478.6296 2.875854
479.1117 4.113770
479.5938 4.152222
480.0760 3.147217
480.5581 2.140137
481.0402 1.755371
481.5223 1.603516
482.0044 1.300293
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