#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:41 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1160 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000579.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_1000579
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 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            R050455.rod
_rod_data_source.block           3500000
_rod_database.code               1000579
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
159.3511 0.0000000E+00
159.8332 1.3050000E-03
160.3154 2.2104001E-02
160.7975 3.9755002E-02
161.2796 0.1198620
161.7617 0.3889050
162.2438 0.8147470
162.7259 1.042788
163.2081 0.8074260
163.6902 0.4903760
164.1723 0.4291100
164.6544 0.6562000
165.1365 0.9495070
165.6186 1.063332
166.1008 1.011780
166.5829 1.104834
167.0650 1.029800
167.5471 0.9821430
168.0292 0.9659690
168.5113 0.9821640
168.9935 1.015450
169.4756 1.018070
169.9577 0.9589810
170.4398 0.9371170
170.9219 1.076962
171.4040 1.187950
171.8862 1.046099
172.3683 0.5811610
172.8504 1.6401000E-02
173.3325 0.2947830
173.8146 8.2603000E-02
174.2967 0.4155850
174.7789 0.7149110
175.2610 0.9531990
175.7431 1.090731
176.2252 1.113380
176.7073 1.050177
177.1894 0.9143710
177.6716 0.6676080
178.1537 0.5668700
178.6358 0.5964980
179.1179 0.7775040
179.6000 0.9085770
180.0821 0.8901180
180.5643 0.8323400
181.0464 0.7381650
181.5285 0.6623950
182.0106 0.6342620
182.4927 0.7051510
182.9749 0.8499720
183.4570 0.9546510
183.9391 0.9587420
184.4212 0.8855590
184.9033 0.8062520
185.3854 0.7270830
185.8676 0.6330010
186.3497 0.4784150
186.8318 0.2594910
187.3139 0.1184040
187.7960 0.1973000
188.2781 0.3562280
188.7603 0.4452510
189.2424 0.4287550
189.7245 0.3519990
190.2066 0.2506370
190.6887 0.1005920
191.1708 1.6488999E-02
191.6530 0.1275330
192.1351 0.2798840
192.6172 0.3280260
193.0993 0.2091450
193.5814 9.1530001E-03
194.0635 8.7677002E-02
194.5457 1.6210000E-03
195.0278 2.7174000E-02
195.5099 0.1599310
195.9920 0.3852040
196.4741 0.4618800
196.9562 0.3014640
197.4384 8.9889998E-03
197.9205 0.2214810
198.4026 0.2876610
198.8847 0.3054960
199.3668 0.2852760
199.8489 0.2294040
200.3311 0.1124000
200.8132 8.2530998E-02
201.2953 0.3055840
201.7774 0.3574960
202.2595 5.6944001E-02
202.7416 0.2263280
203.2238 0.5246510
203.7059 0.7706620
204.1880 0.8511910
204.6701 0.6933990
205.1522 0.3686310
205.6344 0.1997870
206.1165 0.2994310
206.5986 0.4043540
207.0807 0.4781970
207.5628 0.5183750
208.0449 0.5128080
208.5271 0.4456630
209.0092 0.3415490
209.4913 0.3027040
209.9734 0.3078860
210.4555 0.3836540
210.9376 0.6119350
211.4198 0.9298800
211.9019 1.157761
212.3840 1.185152
212.8661 1.074520
213.3482 1.015345
213.8303 1.031693
214.3125 1.056225
214.7946 1.013893
215.2767 0.9292660
215.7588 0.9519000
216.2409 1.219854
216.7230 1.584263
217.2052 1.773563
217.6873 1.733755
218.1694 1.625347
218.6515 1.549746
219.1336 1.506393
219.6157 1.494350
220.0979 1.556353
220.5800 1.621159
221.0621 1.584494
221.5442 1.404207
222.0263 1.250248
222.5084 1.328474
222.9906 1.665056
223.4727 1.951740
223.9548 2.105253
224.4369 2.156286
224.9190 2.091228
225.4011 1.901495
225.8833 1.687584
226.3654 1.553692
226.8475 1.500191
227.3296 1.529547
227.8117 1.745720
228.2938 1.979904
228.7760 2.123835
229.2581 2.156693
229.7402 2.135433
230.2223 2.111429
230.7044 2.039764
231.1866 2.076435
231.6687 2.433195
232.1508 2.804623
232.6329 3.004047
233.1150 3.002611
233.5971 2.909004
234.0793 2.850187
234.5614 2.775023
235.0435 2.877363
235.5256 3.397499
236.0077 3.897429
236.4898 4.061056
236.9720 3.857307
237.4541 3.516054
237.9362 3.330317
238.4183 3.292904
238.9004 3.462303
239.3825 4.064594
239.8647 4.666241
240.3468 5.008410
240.8289 5.048792
241.3110 4.875031
241.7931 4.553928
242.2752 3.913206
242.7574 3.676718
243.2395 3.974924
243.7216 4.509985
244.2037 5.233047
244.6858 6.068459
245.1679 6.786114
245.6501 7.111284
246.1322 6.920614
246.6143 6.785765
247.0964 6.625656
247.5785 6.572739
248.0606 6.762194
248.5428 7.181099
249.0249 7.659628
249.5070 8.021206
249.9891 8.236143
250.4712 8.616497
250.9533 9.466724
251.4355 10.23980
251.9176 10.38914
252.3997 9.976852
252.8818 9.697741
253.3639 10.17849
253.8460 11.44631
254.3282 12.47869
254.8103 13.17902
255.2924 13.76037
255.7745 14.20999
256.2566 14.57306
256.7387 15.18026
257.2209 16.37167
257.7030 18.04046
258.1851 19.38757
258.6672 20.02062
259.1493 20.63222
259.6314 21.78939
260.1136 23.45680
260.5957 25.10975
261.0778 26.49273
261.5599 27.61060
262.0420 28.60581
262.5241 29.36578
263.0063 30.13698
263.4884 31.09093
263.9705 32.21673
264.4526 33.41904
264.9347 34.62763
265.4168 35.91393
265.8990 37.37095
266.3811 39.07336
266.8632 40.81666
267.3453 42.42243
267.8275 43.91479
268.3096 45.51352
268.7917 47.28543
269.2738 49.22007
269.7559 51.22664
270.2380 53.28526
270.7202 55.52044
271.2023 58.04924
271.6844 60.84444
272.1665 63.75458
272.6486 66.76776
273.1307 69.86627
273.6129 73.09619
274.0950 76.47275
274.5771 79.70816
275.0592 82.59937
275.5413 85.19204
276.0234 87.79984
276.5056 90.87169
276.9877 93.39017
277.4698 94.78192
277.9519 95.11683
278.4340 94.68711
278.9161 93.64346
279.3983 91.97134
279.8804 89.56375
280.3625 86.37615
280.8446 82.43707
281.3267 77.64003
281.8088 72.23663
282.2910 66.74743
282.7731 61.34165
283.2552 56.08576
283.7373 51.22093
284.2194 46.80979
284.7015 42.71101
285.1837 38.70592
285.6658 34.91609
286.1479 31.53346
286.6300 28.70414
287.1121 26.29888
287.5942 24.06996
288.0764 22.03607
288.5585 20.14713
289.0406 18.31783
289.5227 16.64412
290.0048 15.28867
290.4869 14.32310
290.9691 13.54710
291.4512 12.58354
291.9333 11.32863
292.4154 10.26864
292.8975 9.667038
293.3796 9.211416
293.8618 8.663347
294.3439 7.974873
294.8260 7.295904
295.3081 6.857143
295.7902 6.715555
296.2723 6.536146
296.7545 6.214205
297.2366 5.860592
297.7187 5.542130
298.2008 5.272911
298.6829 5.023026
299.1650 4.750076
299.6472 4.433485
300.1293 4.214771
300.6114 4.266022
301.0935 4.288889
301.5756 4.091547
302.0577 3.741568
302.5399 3.473022
303.0220 3.528044
303.5041 3.873953
303.9862 3.997034
304.4683 3.716017
304.9504 3.414583
305.4326 3.269102
305.9147 3.209427
306.3968 3.080730
306.8789 2.757107
307.3610 2.321199
307.8431 2.117804
308.3253 2.334412
308.8074 2.450373
309.2895 2.208132
309.7716 1.847210
310.2537 1.674736
310.7358 1.843021
311.2180 2.171329
311.7001 2.245371
312.1822 1.942316
312.6643 1.649883
313.1464 1.399187
313.6285 1.211599
314.1107 1.119162
314.5928 1.128160
315.0749 1.189842
315.5570 1.243324
316.0392 1.293280
316.5213 1.316778
317.0034 1.274677
317.4855 1.233864
317.9676 1.241470
318.4497 1.294981
318.9319 1.348797
319.4140 1.379198
319.8961 1.395550
320.3782 1.294098
320.8603 0.8287850
321.3424 0.4808640
321.8246 0.5035210
322.3067 0.8003120
322.7888 1.118889
323.2709 1.288630
323.7530 1.322365
324.2351 1.304401
324.7173 1.190922
325.1994 1.084885
325.6815 1.053562
326.1636 1.039457
326.6457 0.9517270
327.1278 0.7349870
327.6100 0.4495890
328.0921 0.2295880
328.5742 5.7661001E-02
329.0563 1.6560000E-03
329.5384 0.1784550
330.0205 0.4014240
330.5027 0.4859240
330.9848 0.3806990
331.4669 0.1960680
331.9490 6.9756001E-02
332.4311 1.8500000E-04
332.9132 2.4600001E-03
333.3954 0.2372910
333.8775 0.4177910
334.3596 0.2999590
334.8417 9.2358001E-02
335.3238 0.4833770
335.8059 0.5976770
336.2881 0.4317260
336.7702 0.2867070
337.2523 0.1711810
337.7344 7.6233000E-02
338.2165 5.7489998E-03
338.6986 7.2237000E-02
339.1808 0.1135250
339.6629 0.1022510
340.1450 6.6621996E-02
340.6271 0.1321850
341.1092 0.3870600
341.5913 0.5697330
342.0735 0.5492940
342.5556 0.4206600
343.0377 0.2782630
343.5198 0.1407510
344.0019 5.2623998E-02
344.4840 0.1357210
344.9662 0.4597300
345.4483 0.6508450
345.9304 0.4766160
346.4125 0.1911620
346.8946 7.0499003E-02
347.3767 0.2863660
347.8589 0.4137440
348.3410 0.3583260
348.8231 0.1265870
349.3052 3.6350000E-03
349.7873 9.8454997E-02
350.2694 0.2059350
350.7516 0.1182230
351.2337 0.1155110
351.7158 0.2792280
352.1979 0.1822610
352.6800 8.8460997E-02
353.1621 0.2474140
353.6443 0.2730200
354.1264 0.2233310
354.6085 5.5170000E-02
355.0906 0.1495360
355.5727 0.2459530
356.0548 0.1330360
356.5370 4.3623000E-02
357.0191 6.1990999E-02
357.5012 9.7480997E-02
357.9833 0.1992660
358.4654 0.1138940
358.9475 6.4323001E-02
359.4297 0.2437530
359.9118 0.4329640
360.3939 0.5486220
360.8760 0.4891300
361.3581 0.2880400
361.8402 0.1104970
362.3224 1.4082000E-02
362.8045 8.8503003E-02
363.2866 0.1207710
363.7687 0.1127830
364.2508 5.7328999E-02
364.7329 0.1261630
365.2151 0.3354840
365.6972 0.3744890
366.1793 0.2041840
366.6614 2.8649999E-03
367.1436 8.9804001E-02
367.6257 0.1071320
368.1078 0.1533990
368.5899 0.3154090
369.0720 0.4501360
369.5541 0.3950390
370.0363 0.1816790
370.5184 2.1875000E-02
371.0005 2.1832000E-02
371.4826 0.1321580
371.9647 0.2405380
372.4468 0.3563330
372.9290 0.4476870
373.4111 0.5061510
373.8932 0.5309790
374.3753 0.5139960
374.8574 0.4503360
375.3395 0.3594630
375.8217 0.2354390
376.3038 5.9184998E-02
376.7859 3.7147999E-02
377.2680 0.3653110
377.7501 0.7359710
378.2322 0.8586460
378.7144 0.7363200
379.1965 0.5836280
379.6786 0.5518890
380.1607 0.6347450
380.6428 0.7318290
381.1249 0.8886600
381.6071 1.007500
382.0892 1.021254
382.5713 0.9767880
383.0534 0.9648490
383.5355 1.025696
384.0176 1.129465
384.4998 1.211584
384.9819 1.236614
385.4640 1.299873
385.9461 1.464291
386.4282 1.628803
386.9103 1.717552
387.3925 1.720800
387.8746 1.637592
388.3567 1.452467
388.8388 1.133860
389.3209 0.9479430
389.8030 0.8946440
390.2852 0.9438100
390.7673 1.202324
391.2494 1.555304
391.7315 1.755377
392.2136 1.647463
392.6957 1.321913
393.1779 1.159651
393.6600 1.378576
394.1421 1.518162
394.6242 1.419603
395.1063 1.291027
395.5884 1.369419
396.0706 1.692167
396.5527 2.042034
397.0348 2.080523
397.5169 1.662239
397.9990 1.507133
398.4811 1.923937
398.9633 2.333666
399.4454 2.491219
399.9275 2.446938
400.4096 2.378332
400.8917 2.402304
401.3738 2.497961
401.8560 2.581524
402.3381 2.672367
402.8202 2.720633
403.3023 2.642389
403.7844 2.551819
404.2665 2.567574
404.7487 2.717096
405.2308 2.942650
405.7129 3.169441
406.1950 3.404617
406.6771 3.790279
407.1592 4.529348
407.6414 5.206047
408.1235 5.539980
408.6056 5.568445
409.0877 5.471968
409.5698 5.174286
410.0519 4.833017
410.5341 4.863403
411.0162 5.358559
411.4983 5.909954
411.9804 6.181190
412.4625 6.378241
412.9446 6.866396
413.4268 7.877655
413.9089 8.875050
414.3910 9.369883
414.8731 9.454983
415.3553 9.527220
415.8374 9.641127
416.3195 9.889988
416.8016 10.43089
417.2837 11.24688
417.7658 12.18846
418.2480 13.35353
418.7301 14.56887
419.2122 15.54029
419.6943 16.25657
420.1764 17.14547
420.6585 18.55624
421.1407 20.46158
421.6228 22.34549
422.1049 24.04001
422.5870 25.90490
423.0691 28.13324
423.5512 30.62896
424.0334 33.22938
424.5155 35.85287
424.9976 38.53923
425.4797 41.34874
425.9618 44.22817
426.4439 47.37487
426.9261 51.14161
427.4082 54.90775
427.8903 58.20497
428.3724 61.06008
428.8545 63.76764
429.3366 66.53994
429.8188 69.40706
430.3009 72.63362
430.7830 76.47229
431.2651 80.45233
431.7472 84.38344
432.2293 88.46481
432.7115 92.88879
433.1936 97.72192
433.6757 102.8994
434.1578 108.2292
434.6399 113.5714
435.1220 119.5032
435.6042 125.9035
436.0863 133.0358
436.5684 141.2797
437.0505 150.4248
437.5326 159.8794
438.0147 169.1197
438.4969 178.3473
438.9790 188.4538
439.4611 199.9356
439.9432 211.0183
440.4253 221.0675
440.9074 230.3562
441.3896 239.4913
441.8717 248.9445
442.3538 256.4661
442.8359 260.2360
443.3180 260.3816
443.8001 257.4200
444.2823 251.3198
444.7644 242.2865
445.2465 229.6919
445.7286 214.0908
446.2107 197.8281
446.6928 180.6840
447.1750 163.7215
447.6571 147.9223
448.1392 133.3545
448.6213 120.0428
449.1034 108.0938
449.5855 97.45055
450.0677 88.00780
450.5498 79.89751
451.0319 72.47395
451.5140 65.54114
451.9961 59.19220
452.4782 53.66277
452.9604 48.97645
453.4425 44.90129
453.9246 41.21723
454.4067 37.93040
454.8888 35.04171
455.3709 32.65058
455.8531 30.48548
456.3352 28.47314
456.8173 26.61987
457.2994 24.93457
457.7815 23.42857
458.2636 22.08655
458.7458 20.88634
459.2279 19.92202
459.7100 18.90078
460.1921 17.65181
460.6742 16.48483
461.1563 15.61618
461.6385 15.00830
462.1206 14.47386
462.6027 13.86860
463.0848 13.24006
463.5669 12.71190
464.0491 12.32063
464.5312 11.86050
465.0133 11.22896
465.4954 10.50777
465.9775 9.718479
466.4597 8.849131
466.9418 8.122669
467.4239 7.811420
467.9060 7.864300
468.3881 7.848732
468.8702 7.694212
469.3524 7.477592
469.8345 7.224983
470.3166 6.955990
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