#------------------------------------------------------------------------------
#$Date: 2019-10-15 05:40:31 +0300 (Tue, 15 Oct 2019) $
#$Revision: 1371 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000671.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_1000671
loop_
_publ_author_name
'Kanzaki, M.'
'Xue, X.'
_publ_section_title
;
 Protoenstatite in MgSiO3 samples prepared by conventional solid state
 reaction (protoenstatite)
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.2465/jmps.170616
_journal_volume                  112
_journal_year                    2017
_chemical_compound_source        'synthetic, cooled from 1500 C for 1H.'
_chemical_formula_structural     'Mg Si O3'
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           protoenstatite
_chemical_name_systematic        'magnesium silicon oxide'
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.25655(9)
_cell_length_b                   8.73919(9)
_cell_length_c                   5.31939(5)
_cell_volume                     430.311(7)
_cod_original_formula_sum        'O3 Si Mg'
_raman_determination.method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state powder
_raman_measurement_device.location
'Institute for Planetary Materials, Okayama University'
_raman_measurement_device.company 'home made'
_raman_measurement_device.model  'Ondex filter system'
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 20
_raman_measurement_device.microscope_numerical_aperture 0.4
_raman_measurement_device.excitation_laser_type argon
_raman_measurement_device.excitation_laser_wavelength 488
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 1
_raman_measurement_device.power_on_sample 80
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.0
_raman_measurement_device.diffraction_grating 1200
_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_device_calibration.standard other
_raman_measurement_device_calibration.standard_details
;
 coesite peaks are used.
;
_raman_measurement.integration_time 100
_raman_measurement.datetime_initiated 2017-02-08
_raman_measurement.range_min     49.283
_raman_measurement.range_max     1200.016
_rod_data_source.file            1000671.rod
_rod_data_source.block           1000671
_rod_database.code               1000671
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 1548549 COD http://www.crystallography.net/cod/1548549.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
49.283 3454
50.545 3485
51.808 3467
53.070 3527
54.332 3439
55.594 3501
56.856 3397
58.118 3474
59.379 3538
60.641 3545
61.902 3497
63.163 3501
64.423 3469
65.684 3456
66.944 3479
68.205 3504
69.465 3457
70.724 3475
71.984 3500
73.244 3523
74.503 3472
75.762 3525
77.021 3525
78.280 3534
79.539 3494
80.797 3500
82.055 3522
83.313 3567
84.571 3498
85.829 3448
87.087 3463
88.344 3542
89.601 3536
90.858 3555
92.115 3561
93.372 3573
94.628 3557
95.885 3598
97.141 3548
98.397 3612
99.653 3603
100.908 3690
102.164 3797
103.419 3933
104.674 4274
105.929 4909
107.184 5149
108.438 4896
109.693 4220
110.947 3873
112.201 3803
113.455 3851
114.708 3842
115.962 4076
117.215 4326
118.468 4761
119.721 5056
120.974 4944
122.227 4438
123.479 4048
124.731 3817
125.984 3694
127.235 3591
128.487 3575
129.739 3541
130.990 3545
132.241 3495
133.492 3572
134.743 3544
135.994 3563
137.245 3623
138.495 3712
139.745 3732
140.995 3674
142.245 3572
143.494 3557
144.744 3513
145.993 3519
147.242 3481
148.491 3519
149.740 3519
150.989 3525
152.237 3470
153.485 3463
154.733 3453
155.981 3554
157.229 3480
158.476 3511
159.724 3486
160.971 3486
162.218 3457
163.465 3474
164.711 3479
165.958 3420
167.204 3488
168.450 3471
169.696 3478
170.942 3476
172.188 3504
173.433 3511
174.678 3477
175.924 3546
177.168 3631
178.413 3709
179.658 3736
180.902 3598
182.146 3527
183.390 3616
184.634 3590
185.878 3553
187.121 3722
188.365 3660
189.608 3769
190.851 3945
192.094 4085
193.336 4309
194.579 4310
195.821 4333
197.063 4183
198.305 3872
199.547 3721
200.789 3688
202.030 3722
203.271 3790
204.512 3884
205.753 3866
206.994 3688
208.235 3710
209.475 3759
210.715 3914
211.955 3959
213.195 3964
214.435 3934
215.674 3790
216.914 3674
218.153 3594
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220.631 3512
221.869 3557
223.108 3465
224.346 3495
225.584 3490
226.822 3525
228.060 3519
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231.772 3493
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236.720 3558
237.956 3506
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240.428 3526
241.664 3624
242.900 3718
244.136 3801
245.371 3822
246.606 3738
247.841 3714
249.076 3708
250.311 4053
251.545 4473
252.780 4566
254.014 4409
255.248 4068
256.482 3859
257.715 3778
258.949 3886
260.182 3921
261.415 3832
262.648 3769
263.881 3641
265.114 3610
266.346 3583
267.578 3522
268.810 3545
270.042 3619
271.274 3683
272.506 3768
273.737 3814
274.968 3969
276.199 4002
277.430 3982
278.661 3891
279.891 3653
281.122 3614
282.352 3549
283.582 3578
284.812 3660
286.042 3670
287.271 3765
288.501 3809
289.730 3728
290.959 3732
292.188 3680
293.416 3674
294.645 3668
295.873 3724
297.101 3843
298.329 3866
299.557 3985
300.785 4227
302.012 4337
303.239 4666
304.467 5196
305.694 5576
306.920 5953
308.147 5901
309.373 5568
310.600 5029
311.826 4501
313.052 4316
314.277 4089
315.503 3994
316.728 3952
317.954 3914
319.179 3943
320.404 3863
321.628 3830
322.853 3908
324.077 3949
325.302 4102
326.526 4338
327.750 4662
328.973 4999
330.197 5700
331.420 6151
332.643 6279
333.867 5874
335.089 5466
336.312 4948
337.535 4543
338.757 4433
339.979 4335
341.201 4238
342.423 4279
343.645 4389
344.866 4309
346.088 4187
347.309 4165
348.530 4053
349.751 4065
350.971 3819
352.192 3815
353.412 3712
354.632 3695
355.852 3671
357.072 3726
358.292 3707
359.511 3642
360.730 3681
361.950 3683
363.168 3697
364.387 3688
365.606 3677
366.824 3765
368.043 3795
369.261 3869
370.479 3969
371.697 4061
372.914 4148
374.132 4203
375.349 4330
376.566 4335
377.783 4340
379.000 4292
380.216 4249
381.433 4253
382.649 4173
383.865 4223
385.081 4218
386.297 4195
387.512 4039
388.728 4014
389.943 3899
391.158 3835
392.373 3718
393.588 3673
394.802 3687
396.017 3697
397.231 3653
398.445 3591
399.659 3641
400.873 3583
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405.726 3639
406.939 3644
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415.424 3527
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417.847 3629
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420.270 3577
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428.742 3598
429.952 3647
431.162 3704
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434.789 3716
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439.624 3667
440.832 3819
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444.455 3703
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448.078 3619
449.285 3624
450.491 3557
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454.111 3576
455.317 3570
456.523 3576
457.729 3543
458.935 3542
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461.346 3523
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468.575 3680
469.779 3702
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487.822 3565
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495.029 3544
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510.623 3593
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514.218 3567
515.416 3590
516.613 3627
517.811 3597
519.008 3577
520.206 3609
521.403 3586
522.600 3624
523.796 3640
524.993 3611
526.189 3636
527.386 3589
528.582 3611
529.778 3617
530.973 3606
532.169 3634
533.364 3667
534.560 3621
535.755 3587
536.950 3556
538.145 3581
539.339 3567
540.534 3617
541.728 3626
542.922 3662
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545.310 3633
546.503 3762
547.697 3812
548.890 3836
550.083 3942
551.276 3876
552.469 3776
553.662 3841
554.854 3682
556.047 3678
557.239 3696
558.431 3630
559.622 3681
560.814 3629
562.006 3709
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564.388 3714
565.579 3838
566.770 3783
567.961 3822
569.151 3912
570.342 3937
571.532 3894
572.722 3843
573.912 3723
575.101 3715
576.291 3704
577.480 3643
578.669 3631
579.858 3639
581.047 3608
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584.613 3615
585.801 3647
586.989 3631
588.177 3584
589.365 3617
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591.740 3541
592.927 3600
594.114 3567
595.301 3594
596.488 3571
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598.861 3583
600.047 3612
601.233 3568
602.419 3616
603.605 3525
604.791 3580
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607.161 3621
608.347 3578
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611.901 3601
613.086 3593
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615.454 3566
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617.822 3582
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620.189 3564
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626.104 3624
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646.185 3716
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654.440 3839
655.619 3945
656.798 3956
657.976 4061
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661.510 4291
662.688 4431
663.865 4697
665.043 4836
666.220 5024
667.397 5308
668.574 5629
669.750 6137
670.927 6454
672.103 6869
673.280 7205
674.456 7030
675.632 6707
676.807 6593
677.983 6031
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680.334 5284
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685.033 4651
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687.382 4414
688.556 4301
689.730 4215
690.904 4103
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721.368 3595
722.537 3612
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726.045 3687
727.214 3660
728.382 3695
729.551 3752
730.719 3693
731.888 3732
733.056 3725
734.224 3714
735.391 3636
736.559 3647
737.726 3687
738.894 3626
740.061 3598
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744.728 3624
745.894 3640
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748.226 3670
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752.889 3666
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755.219 3584
756.384 3641
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758.713 3634
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761.042 3605
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763.370 3606
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768.024 3623
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778.487 3603
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780.811 3628
781.972 3612
783.133 3669
784.294 3632
785.455 3613
786.616 3634
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792.418 3599
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794.737 3579
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797.056 3618
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805.167 3677
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814.428 3639
815.585 3549
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817.898 3669
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822.523 3587
823.678 3690
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838.689 3672
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897.323 3612
898.468 3727
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904.194 3684
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911.060 3655
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923.633 3796
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951.001 3690
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953.278 3816
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958.967 3749
960.104 3655
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996.418 3857
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1000.946 3910
1002.078 3950
1003.209 3998
1004.341 4094
1005.472 4203
1006.603 4400
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1008.865 4668
1009.995 5152
1011.126 5675
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1071.946 3700
1073.068 3704
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1075.312 3655
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1078.677 3737
1079.798 3678
1080.919 3678
1082.040 3713
1083.161 3683
1084.281 3724
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1086.522 3661
1087.642 3684
1088.762 3659
1089.882 3666
1091.002 3713
1092.122 3677
1093.241 3673
1094.360 3649
1095.480 3764
1096.599 3696
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1099.955 3743
1101.073 3676
1102.191 3648
1103.310 3662
1104.427 3775
1105.545 3668
1106.663 3627
1107.780 3663
1108.898 3668
1110.015 3687
1111.132 3678
1112.249 3711
1113.366 3705
1114.482 3686
1115.599 3652
1116.715 3635
1117.831 3694
1118.947 3688
1120.063 3691
1121.179 3680
1122.295 3586
1123.410 3739
1124.525 3670
1125.640 3644
1126.755 3707
1127.870 3684
1128.985 3638
1130.099 3663
1131.214 3644
1132.328 3689
1133.442 3693
1134.556 3683
1135.670 3658
1136.783 3735
1137.897 3680
1139.010 3749
1140.123 3643
1141.236 3723
1142.349 3671
1143.462 3698
1144.575 3653
1145.687 3714
1146.799 3647
1147.912 3685
1149.024 3677
1150.135 3645
1151.247 3683
1152.359 3729
1153.470 3663
1154.581 3620
1155.693 3749
1156.804 3695
1157.914 3693
1159.025 3701
1160.136 3656
1161.246 3702
1162.356 3721
1163.466 3685
1164.576 3657
1165.686 3698
1166.796 3676
1167.905 3712
1169.014 3714
1170.124 3607
1171.233 3638
1172.342 3649
1173.450 3649
1174.559 3684
1175.667 3690
1176.776 3628
1177.884 3637
1178.992 3690
1180.100 3599
1181.207 3725
1182.315 3740
1183.422 3691
1184.530 3640
1185.637 3694
1186.744 3646
1187.851 3659
1188.957 3636
1190.064 3697
1191.170 3678
1192.276 3682
1193.383 3656
1194.488 3697
1195.594 3635
1196.700 3664
1197.805 3630
1198.911 3657
1200.016 3626
loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 mkanzaki 2019-10-14T11:46:33+0300
;Forgot to include COD related info as the structure is deposited to
 COD.
;
2 mkanzaki 2019-10-15T05:40:30+0300
'Mistake in laser source, argon is correct.'
