#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000004.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_1000004
loop_
_publ_author_name
'Salaun, S'
'Fornoni, Mt.'
'Bulou, A'
'Rousseau, M'
'Simon, P'
'Gesland, Jy.'
_publ_section_title
;
 Lattice dynamics of fluoride scheelites: I. Raman and infrared study of
 LiYF4 and LiLnF4 (Ln = Ho, Er, Tm and Yb)
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6941
_journal_page_last               6956
_journal_volume                  9
_journal_year                    1997
_chemical_compound_source        Commercial
_chemical_formula_structural     'Li Y F4'
_chemical_formula_sum            'F4 Li Y'
_chemical_name_mineral           'Li Y F4'
_cod_original_formula_sum        'Li Y F4'
_[local]_database_code_rod       7200002
_raman_determination_method      experimental
_[local]_chemical_compound_color Blue
_[local]_chemical_compound_state Solid
_raman_measurement_device.location 'IMMM Maine university'
_raman_measurement_device.company 'HORIBA Jobin Yvon'
_raman_measurement_device.model  T64000
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 100
_raman_measurement_device.microscope_numerical_aperture 0.90
_raman_measurement_device.excitation_laser_type Argon-Krypton
_raman_measurement_device.excitation_laser_wavelength 514
_raman_measurement_device.configuration triple
_raman_measurement_device.resolution 2.5
_raman_measurement_device.power_on_sample 100
_raman_measurement_device.direction_polarization Y(XX)Y
_raman_measurement_device.spot_size 250
_raman_measurement_device.diffraction_grating 600
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   296
_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 600
_raman_measurement.range_min     10.3909
_raman_measurement.range_max     668.802
_rod_data_source.file            YE0008.rod
_rod_data_source.block           7200002
_rod_database.code               1000004
loop_
_raman_complementary.id
_raman_complementary.method
1 FTIR
loop_
_raman_prediction.id
_raman_prediction.method
_raman_prediction.active_bands
_raman_prediction.mode_count
1 DFT '3A1g + 8Eg + 14 T1g' 25
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 Silicon_wafer
2 Diamond
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
10.3909 53
11.7473 57
13.1011 56
14.4548 53
15.8083 44
17.164 52
18.5171 64
19.87 38
21.2228 38
22.5753 43
23.9277 34
25.2822 43
26.6342 53
27.986 54
29.3353 45
30.6867 41
32.038 38
33.389 42
34.7399 40
36.0906 37
37.4388 43
38.7891 45
40.1392 42
41.4868 40
42.8366 40
44.1861 40
45.5332 41
46.8824 40
48.229 36
49.5756 38
50.9242 47
52.2703 38
53.6162 44
54.9643 43
56.3099 39
57.6553 37
59.0005 37
60.3478 45
61.6926 52
63.0372 43
64.3817 42
65.7259 39
67.07 39
68.4139 40
69.7553 46
71.0988 37
72.4422 42
73.7853 45
75.1283 40
76.4688 41
77.8113 43
79.1537 37
80.4937 43
81.8357 41
83.1752 46
84.5169 44
85.8561 47
87.1974 36
88.5362 47
89.8771 39
91.2156 41
92.5538 46
93.8919 48
95.2321 44
96.5698 41
97.9073 39
99.2446 40
100.582 41
101.919 43
103.255 39
104.592 38
105.928 37
107.265 46
108.601 53
109.937 44
111.27 44
112.605 47
113.941 51
115.276 47
116.609 54
117.943 43
119.276 49
120.61 47
121.944 45
123.276 51
124.607 46
125.941 47
127.272 49
128.606 48
129.936 46
131.267 48
132.597 42
133.93 41
135.26 48
136.59 46
137.92 42
139.249 50
140.579 53
141.908 50
143.237 52
144.566 54
145.894 47
147.223 54
148.549 54
149.877 86
151.204 122
152.532 146
153.857 108
155.185 75
156.512 68
157.837 63
159.163 63
160.488 65
161.814 67
163.138 69
164.464 81
165.788 86
167.111 96
168.435 116
169.76 155
171.083 231
172.405 370
173.728 530
175.05 538
176.372 331
177.694 194
179.016 130
180.338 94
181.659 78
182.981 70
184.302 69
185.622 56
186.943 57
188.261 51
189.582 49
190.902 47
192.22 44
193.539 50
194.859 46
196.176 50
197.496 46
198.812 53
200.131 51
201.448 44
202.764 50
204.082 43
205.398 46
206.714 48
208.03 50
209.347 51
210.662 52
211.977 56
213.292 53
214.607 51
215.921 55
217.236 49
218.55 53
219.864 59
221.175 58
222.489 57
223.802 56
225.115 58
226.426 56
227.739 55
229.052 60
230.362 53
231.674 59
232.984 55
234.296 61
235.606 63
236.915 68
238.227 65
239.535 72
240.844 81
242.155 97
243.464 137
244.772 238
246.08 406
247.388 409
248.696 262
250.003 155
251.311 127
252.618 126
253.925 125
255.232 123
256.539 135
257.845 159
259.151 205
260.455 259
261.761 369
263.067 480
264.37 605
265.676 695
266.979 625
268.284 477
269.587 340
270.891 275
272.194 200
273.498 159
274.8 120
276.102 117
277.403 89
278.707 100
280.008 97
281.309 86
282.61 80
283.911 79
285.211 74
286.512 66
287.812 69
289.112 70
290.412 60
291.711 63
293.011 68
294.31 66
295.607 62
296.906 69
298.205 73
299.501 65
300.8 68
302.098 63
303.394 63
304.692 64
305.987 61
307.285 64
308.58 65
309.875 73
311.172 66
312.466 70
313.761 67
315.055 71
316.351 73
317.645 77
318.939 97
320.233 100
321.526 116
322.819 147
324.112 192
325.405 240
326.698 255
327.988 265
329.28 226
330.572 181
331.864 150
333.154 126
334.446 116
335.737 96
337.026 90
338.317 84
339.606 90
340.897 82
342.185 71
343.476 82
344.764 76
346.051 74
347.339 70
348.629 64
349.916 83
351.203 81
352.49 72
353.777 73
355.064 77
356.35 88
357.636 89
358.922 95
360.208 91
361.494 98
362.78 108
364.065 106
365.348 123
366.633 136
367.918 166
369.201 174
370.485 210
371.767 260
373.052 366
374.333 479
375.617 700
376.899 1147
378.182 1528
379.463 1711
380.744 1438
382.025 981
383.308 666
384.588 449
385.868 323
387.149 251
388.428 209
389.708 158
390.988 146
392.267 125
393.546 112
394.825 113
396.104 93
397.381 97
398.659 95
399.938 100
401.216 97
402.492 105
403.77 98
405.045 111
406.323 109
407.598 123
408.875 136
410.15 140
411.426 154
412.701 164
413.975 206
415.251 222
416.525 275
417.799 351
419.073 396
420.346 516
421.619 672
422.893 895
424.165 1243
425.438 1523
426.711 1648
427.983 1440
429.255 1129
430.527 816
431.799 638
433.069 499
434.34 390
435.612 322
436.881 267
438.152 239
439.42 205
440.691 178
441.959 172
443.23 156
444.498 145
445.768 119
447.035 130
448.303 127
449.572 113
450.84 100
452.107 102
453.373 108
454.64 96
455.906 93
457.173 90
458.439 91
459.705 76
460.971 88
462.236 87
463.502 81
464.767 77
466.03 81
467.295 72
468.56 70
469.822 70
471.086 65
472.351 75
473.613 70
474.877 69
476.138 72
477.4 66
478.663 68
479.924 59
481.185 63
482.448 67
483.708 66
484.969 61
486.229 54
487.489 50
488.749 51
490.009 60
491.268 62
492.528 61
493.787 57
495.046 61
496.305 61
497.564 62
498.82 59
500.078 49
501.336 60
502.592 64
503.85 65
505.106 58
506.363 61
507.618 51
508.876 61
510.131 54
511.387 69
512.642 61
513.896 65
515.151 67
516.405 61
517.661 56
518.914 62
520.168 62
521.421 69
522.674 64
523.927 66
525.18 53
526.433 61
527.683 59
528.936 54
530.188 60
531.44 57
532.69 61
533.941 57
535.193 57
536.442 58
537.693 56
538.942 55
540.193 53
541.442 52
542.69 55
543.94 54
545.188 55
546.436 58
547.686 59
548.934 55
550.181 48
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552.675 56
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556.416 53
557.662 49
558.908 51
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561.398 55
562.644 56
563.889 51
565.135 53
566.378 53
567.623 58
568.866 56
570.11 53
571.353 55
572.597 60
573.839 52
575.083 52
576.325 54
577.567 50
578.81 50
580.052 53
581.293 55
582.534 51
583.774 52
585.015 49
586.255 47
587.496 53
588.736 54
589.976 50
591.216 49
592.455 44
593.693 50
594.932 57
596.171 46
597.41 50
598.647 51
599.885 52
601.122 51
602.36 54
603.596 49
604.834 44
606.07 52
607.305 41
608.543 48
609.778 52
611.013 46
612.248 49
613.485 47
614.719 49
615.954 48
617.188 58
618.422 48
619.656 43
620.889 50
622.121 50
623.354 43
624.588 47
625.821 47
627.051 43
628.284 42
629.517 47
630.747 54
631.979 48
633.209 49
634.441 48
635.671 42
636.9 45
638.132 56
639.361 47
640.59 44
641.819 50
643.05 45
644.278 50
645.507 44
646.735 45
647.963 51
649.191 48
650.418 42
651.646 40
652.873 41
654.098 47
655.325 53
656.552 48
657.779 52
659.003 54
660.23 47
661.454 47
662.68 44
663.904 44
665.13 45
666.353 45
667.579 49
668.802 38
