#------------------------------------------------------------------------------
#$Date: 2018-02-06 16:25:13 +0200 (Tue, 06 Feb 2018) $
#$Revision: 426 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500210.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_3500210
loop_
_publ_author_name
'El Mendili, Y'
'Secchi, M'
'Zannatta, M'
_publ_section_title
;
 Raman spectrum of commercial Anatase
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'commercial powder Prolabo pur'
_chemical_formula_structural     'O2 Ti'
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Anatase
_chemical_name_systematic        'titanium oxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.73
_cell_length_b                   3.73
_cell_length_c                   9.37
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_raman_measurement_device.location 'University of Trento'
_raman_measurement_device.company Horiba
_raman_measurement_device.model  Aramis
_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 0.90
_raman_measurement_device.excitation_laser_type helium-neon
_raman_measurement_device.excitation_laser_wavelength 633
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 2
_raman_measurement_device.power_on_sample 12
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 600
_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
_raman_measurement.datetime_initiated 2018-01-15
_rod_data_source.file            TiO2ANATASE.rod
_rod_data_source.block           3500020
_rod_database.code               3500210
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 silicon_wafer
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 1010942 COD http://www.crystallography.net/cod/1010942.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.279 386.5
104.522 421.5
106.766 465
109.007 507.25
111.248 564.5
113.489 610.5
115.728 674.25
117.967 762.75
120.207 876
122.445 1054
124.682 1241.5
126.919 1512
129.155 1973
131.39 2666.5
133.624 3834.75
135.858 6074
138.09 10067.5
140.323 15712.5
142.555 19937.5
144.786 19197.8
147.017 14454
149.247 9052
151.475 5461
153.704 3428
155.932 2327.75
158.158 1687.5
160.385 1291.5
162.612 1014.75
164.836 817.5
167.061 678.25
169.284 593.5
171.508 505.5
173.729 453.5
175.952 395.5
178.172 335.75
180.394 295
182.613 280.75
184.833 255
187.051 230.5
189.268 226.75
191.486 239.5
193.702 316.25
195.917 408
198.134 391.25
200.348 316.25
202.561 210
204.774 175.5
206.986 147.75
209.198 136
211.409 119.5
213.621 115.75
215.83 110
218.039 106
220.248 100.25
222.456 98
224.663 91.5
226.868 81.5
229.074 78
231.279 71.5
233.484 84.75
235.688 75.75
237.892 72.5
240.093 82
242.295 70.75
244.497 64
246.698 70.75
248.897 62.75
251.096 63.5
253.295 64.25
255.492 67.25
257.69 62
259.886 68.5
262.083 58.25
264.277 64.25
266.473 59.75
268.666 60
270.86 65
273.052 66
275.245 62.5
277.436 58.5
279.626 64
281.816 64.25
284.006 71
286.194 71.25
288.382 78.25
290.569 85
292.757 81.5
294.943 83.75
297.128 75.75
299.313 88
301.497 92.25
303.68 97.5
305.863 90.75
308.045 93
310.227 102.5
312.408 96.25
314.588 99
316.768 100
318.947 102.25
321.125 99.25
323.302 101.5
325.479 97.75
327.656 96.5
329.832 94.75
332.007 101.75
334.181 104.5
336.355 103.5
338.528 95.5
340.7 101
342.872 104.75
345.043 108
347.214 113.5
349.383 117
351.553 116
353.721 120
355.889 131
358.056 137.75
360.224 144
362.389 143.5
364.554 163.75
366.72 174
368.883 184.75
371.046 193
373.209 224.75
375.372 257
377.533 283.25
379.694 332.5
381.854 390.25
384.013 461.75
386.172 533.75
388.33 661
390.487 768.75
392.644 901
394.801 973
396.957 1008
399.112 1008.75
401.266 907
403.42 801.75
405.574 641.25
407.726 532.25
409.878 445
412.029 354
414.179 314.75
416.33 259.5
418.48 224.75
420.627 201.25
422.776 188.25
424.922 176.75
427.07 158
429.216 148.75
431.361 135
433.507 123.5
435.65 126
437.794 115.25
439.937 123.75
442.078 122
444.221 120.75
446.361 108.75
448.503 107.5
450.642 101.75
452.781 109
454.919 105.75
457.058 105
459.195 101
461.331 97
463.467 104.25
465.602 96.5
467.737 104
469.871 103
472.004 104.75
474.137 108.75
476.269 115.25
478.401 114.25
480.532 125.75
482.662 128.75
484.792 147.25
486.921 139
489.05 152.5
491.178 157.75
493.304 178.25
495.431 190.25
497.557 215
499.682 245.5
501.806 278.25
503.931 324.5
506.054 406.75
508.176 508.5
510.299 617.75
512.42 708.75
514.541 791
516.661 814.25
518.781 831
520.9 789.75
523.019 689.5
525.136 617.5
527.253 545.75
529.37 478.75
531.485 411.5
533.6 383.75
535.714 328.5
537.83 298.5
539.943 267.5
542.055 249.75
544.167 222.25
546.278 217.5
548.389 196.5
550.499 185.5
552.609 169.5
554.718 161
556.826 156.25
558.934 152.5
561.041 145.25
563.148 144.75
565.254 141.75
567.359 141.75
569.464 141.75
571.569 140.5
573.671 131.75
575.774 128
577.877 129.75
579.977 126.5
582.079 132.75
584.18 139
586.279 139.25
588.378 136.5
590.476 144
592.574 146
594.671 143.25
596.768 148.5
598.864 164.5
600.96 177.5
603.054 191.5
605.148 202.5
607.242 214
609.335 232.25
611.427 256.5
613.519 272.5
615.61 306.5
617.7 351.25
619.79 417.25
621.879 467.5
623.968 556.5
626.055 648.5
628.144 805.25
630.231 971.25
632.317 1178
634.403 1393
636.486 1617.25
638.571 1732.75
640.655 1769.75
642.738 1709
644.821 1568.5
646.903 1360.75
648.984 1147.5
651.064 969.5
653.144 811
655.224 699
657.302 600
659.381 527
661.459 447.5
663.535 408.25
665.612 363.75
667.687 312
669.763 303
671.837 257
673.912 244
675.985 232.25
678.058 200
680.13 195
682.201 178.5
684.273 158.5
686.343 155.5
688.412 152.75
690.481 143.5
692.551 141.25
694.618 126.75
696.686 122
698.752 107.5
700.818 107.75
702.883 107.5
704.948 105
707.013 98.75
709.076 95.75
711.139 92
713.202 86
715.264 82.75
717.326 75
719.385 77.5
721.445 78.25
723.505 72.25
725.564 65.5
727.623 66.5
729.68 61.25
731.737 49
733.794 61
735.849 59.5
737.905 52.5
739.959 57.75
742.014 57.5
744.067 56.5
746.12 56.5
748.172 51
750.224 46.5
752.275 49
754.325 44.5
756.376 48.5
758.424 52
760.473 49.75
762.521 48.5
764.569 46.75
766.616 55.75
768.662 47
770.707 48.75
772.752 54
774.797 53
776.841 56.5
778.884 55
780.927 61.5
782.969 59
785.01 61.25
787.051 55.5
789.092 65.5
791.132 67.5
793.171 61.75
795.209 57.75
797.247 65.25
799.285 67.25
801.322 65.25
803.357 64.5
805.393 68
807.428 60
809.463 59
811.497 63.25
813.529 57
815.563 53.5
817.594 56.75
819.625 55.25
821.657 53
823.687 50.25
825.717 49.5
827.746 48.75
829.774 43.75
831.801 48.5
833.83 45.25
835.856 45.75
837.882 46.75
839.908 46.25
841.932 46.75
843.957 46.5
845.982 45
848.005 41
850.027 42.25
852.05 44.75
854.07 41.5
856.091 44.5
858.111 42.75
860.131 37.5
862.15 34.5
864.169 38.25
866.187 38
868.204 40.25
870.221 36.25
872.238 39.25
874.252 36.75
876.268 38.75
878.283 37.5
880.296 32.75
882.31 34.5
884.322 36.5
886.335 33
888.345 32
890.356 30.5
892.367 30
894.376 31.75
896.386 29
898.395 29.5
900.402 29.25
902.409 30.5
904.417 28.75
906.423 32.25
908.429 29.5
910.434 29
912.438 28.25
914.442 32.5
916.445 29.25
918.448 28.5
920.451 29.25
922.452 25
924.453 26
926.454 28.75
928.454 28.5
930.454 24
932.451 25.25
934.45 26.25
936.448 24
938.445 26.75
940.441 25
942.437 24.5
944.433 23
946.427 24.75
948.422 25
950.415 22.5
952.408 26.75
954.4 22.25
956.393 27.25
958.383 21.5
960.374 24.75
962.365 26
964.354 25
966.342 22
968.332 21.5
970.319 24
972.306 22
974.293 24.25
976.279 24
978.265 24
980.25 26
982.234 22.75
984.218 25
986.202 25.75
988.184 22
990.166 22.5
992.147 24.25
994.128 22
996.109 20.5
998.089 22
1000.07 20.25
1002.05 21.5
1004.02 23.75
1006 22
1007.98 18.75
1009.96 20.75
1011.93 19.75
1013.91 18
1015.88 21.25
1017.86 19.5
1019.83 21.25
1021.8 21.5
1023.77 21
1025.75 20.25
1027.72 21
1029.69 17
1031.66 18
1033.63 19.75
1035.6 16.5
1037.57 17.5
1039.53 18.5
1041.5 19.75
1043.47 20
1045.43 21.5
1047.4 19.5
1049.36 22
1051.33 20.5
1053.29 17.75
1055.26 18.25
1057.22 19.75
1059.18 19.5
1061.14 18.5
1063.11 17.5
1065.06 20
1067.03 17.25
1068.98 18.75
1070.94 17.25
1072.9 16.25
1074.86 16.5
1076.82 16.75
1078.77 15.5
1080.73 15.75
1082.69 17
1084.64 13.5
1086.59 17.25
1088.55 17
1090.5 17.5
1092.45 18.25
1094.41 16.75
1096.36 15.75
1098.31 15.75
1100.26 18.5
1102.21 18.5
1104.16 16
1106.11 17
1108.06 14.25
1110 15
1111.95 12
1113.9 14.5
1115.84 15.25
1117.79 17
1119.73 15
1121.68 15
1123.62 15.75
1125.57 15
1127.51 14
1129.45 15.75
1131.39 17
1133.33 17
1135.27 18
1137.21 15
1139.15 16
1141.09 15.25
1143.03 16
1144.97 18
1146.9 14.75
1148.84 17.5
1150.78 17
1152.71 15.25
1154.65 18.25
1156.58 14
1158.52 16.5
1160.45 15
1162.38 14.5
1164.31 16.5
1166.25 13.25
1168.18 13.75
1170.11 13.5
1172.04 16
1173.97 14.5
1175.9 17.75
1177.83 15.5
1179.75 17.5
1181.68 16
1183.61 14.5
1185.53 14
1187.46 16.5
1189.38 17.75
1191.31 14
1193.23 15.5
1195.16 17.75
1197.08 15.75
1199 12.25
1200.92 14.75
1202.84 15.75
1204.76 14
1206.68 17.75
1208.6 13.25
1210.52 14.25
1212.44 15.25
1214.36 13.5
1216.28 14.25
1218.19 16.25
1220.11 13.5
1222.03 16.75
1223.94 13.5
1225.86 16
1227.77 16.5
1229.68 14.75
1231.6 15
1233.51 14.25
1235.42 16
1237.33 15.75
1239.24 17
1241.15 16
1243.06 15.75
1244.97 14.75
1246.88 14.25
1248.79 13.75
1250.7 18
1252.6 16
1254.51 12.5
1256.42 15.75
1258.32 15
1260.23 14.25
1262.13 13
1264.04 15.5
1265.94 16.25
1267.84 16.25
1269.74 15.25
1271.64 15.75
1273.55 13.75
1275.45 13.75
1277.35 10.5
1279.25 16
1281.14 16.5
1283.04 14
1284.94 16.5
1286.84 13.25
1288.74 16.5
1290.63 14.5
1292.53 15.5
1294.42 14.75
1296.32 15.25
1298.21 17
1300.11 13.25
1302 13.5
1303.89 14.75
1305.78 14.25
1307.67 17.25
1309.57 14
1311.46 15.5
1313.34 13.25
1315.23 11.75
1317.12 12
1319.01 13.75
1320.9 14.5
1322.79 11.5
1324.67 10.5
1326.56 15.5
1328.45 13.5
1330.33 13.5
1332.21 11
1334.1 11
1335.98 16.25
1337.86 14.25
1339.75 11.25
1341.63 11.5
1343.51 12
1345.39 12
1347.27 12.75
1349.15 13.75
1351.03 12
1352.91 12.75
1354.79 13
1356.66 13
1358.54 10.75
1360.42 13.5
1362.29 11.75
1364.17 13.5
1366.04 11.25
1367.92 11.75
1369.79 10.75
1371.67 11
1373.54 9
1375.41 15.5
1377.28 10.25
1379.15 12.25
1381.03 12.75
1382.9 12.75
1384.76 13
1386.63 9.75
1388.5 11.75
1390.37 11.25
1392.24 11
1394.11 14.75
1395.97 13.25
1397.84 11
1399.7 11
1401.57 10
1403.43 12.25
1405.3 12.25
1407.16 10
1409.02 11.75
1410.89 10.5
1412.75 10
1414.61 12
1416.47 11.5
1418.33 11.25
1420.19 11.25
1422.05 12.25
1423.91 10.75
1425.77 11.25
1427.62 12.25
1429.48 10
1431.34 12
1433.19 12
1435.05 12
1436.9 10.75
1438.76 10.75
1440.61 10
1442.47 11.75
1444.32 11
1446.17 12
1448.02 14.5
1449.87 11.5
1451.73 11.75
1453.58 13.25
1455.42 12
1457.27 11.5
1459.12 11
1460.97 11.5
1462.82 11.75
1464.67 12.25
1466.51 12
1468.36 12.25
1470.2 12.5
1472.05 11.75
1473.89 13.25
1475.74 12.25
1477.58 11.5
1479.42 9.25
1481.27 12.5
1483.11 11.5
1484.95 8.75
1486.79 12.5
1488.63 11
1490.47 13.75
1492.31 11
1494.15 10.5
1495.99 10
1497.83 10.75
1499.66 12.25
1501.5 10.75
1503.34 9.5
1505.17 12.5
1507.01 10.25
1508.84 11
1510.68 12
1512.51 12
1514.35 11.5
1516.18 11
1518.01 12
1519.84 10
1521.67 14
1523.5 11
1525.33 11.75
1527.16 11.75
1528.99 12.25
1530.82 12.5
1532.65 11.5
1534.48 11.75
1536.3 12.25
1538.13 12
1539.96 11.75
1541.78 12.25
1543.61 13
1545.43 13
1547.26 11.5
1549.08 13
1550.9 13.75
1552.73 12.75
1554.55 13
1556.37 12
1558.19 12.5
1560.01 12.5
1561.83 11.25
1563.65 12
1565.47 11.5
1567.29 11.5
1569.11 11.25
1570.92 13.75
1572.74 11.5
1574.56 13.5
1576.37 11.25
1578.19 14
1580 11.25
1581.82 9.75
1583.63 10.5
1585.45 11.5
1587.26 9.25
1589.07 9.5
1590.88 10.25
1592.69 12.75
1594.51 13.25
1596.32 10.5
1598.13 12.5
1599.94 13.75
1601.74 9.5
1603.55 10.75
1605.36 10.5
1607.17 13.75
1608.97 14.75
1610.78 11.75
1612.59 11
1614.39 14
1616.2 10.75
1618 11.75
1619.81 11.25
1621.61 11
1623.41 11.75
1625.21 13.75
1627.02 12.5
1628.82 10
1630.62 12.25
1632.42 10
1634.22 12.5
1636.02 11.5
1637.82 12.5
1639.61 14
1641.41 14
1643.21 12.75
1645.01 11
1646.8 12.5
1648.6 14.25
1650.39 15
1652.19 11.25
1653.98 12
1655.78 13.75
1657.57 14.5
1659.36 10
1661.16 12.5
1662.95 12.75
1664.74 14
1666.53 13
1668.32 10.25
1670.11 12
1671.9 12.5
1673.69 12
1675.48 14.75
1677.26 13.5
1679.05 13.25
1680.84 15
1682.63 13
1684.41 11.75
1686.2 14
1687.98 12.25
1689.77 13.75
1691.55 11
1693.33 10.25
1695.12 10.5
1696.9 12.25
1698.68 13.25
1700.46 12.75
1702.24 12.75
1704.02 11.75
1705.8 10.5
1707.58 12.25
1709.36 12.5
1711.14 15
1712.92 11.5
1714.7 11.5
1716.47 12.5
1718.25 12.25
1720.03 11
1721.8 10.75
1723.58 13.5
1725.35 9.75
1727.13 9.25
1728.9 12
1730.67 11.75
1732.44 11.5
1734.22 10.5
1735.99 11.25
1737.76 12.25
1739.53 9.5
1741.3 9.75
1743.07 13.25
1744.84 10.25
1746.61 13
1748.38 10.5
1750.14 10.25
1751.91 9.75
1753.68 10.25
1755.44 11.25
1757.21 11.5
1758.98 11.25
1760.74 11.25
1762.5 9.75
1764.27 10.5
1766.03 9.5
1767.79 10.5
1769.56 10
1771.32 10.5
1773.08 11.5
1774.84 10.75
1776.6 10.5
1778.36 12
1780.12 10
1781.88 9.75
1783.64 11.25
1785.4 10
1787.15 11.25
1788.91 10
1790.67 10
1792.42 12.5
1794.18 10
1795.93 10
1797.69 9
1799.44 7.5
1801.2 8.75
1802.95 10.75
1804.7 10.5
1806.46 12.25
1808.21 11.75
1809.96 10
1811.71 11
1813.46 10.75
1815.21 10.75
1816.96 9.75
1818.71 10
1820.46 10.5
1822.2 10.75
1823.95 10.75
1825.7 10.25
1827.44 9.75
1829.19 9.25
1830.94 10
1832.68 9.5
1834.42 11.25
1836.17 9.25
1837.91 7.75
1839.66 8
1841.4 11.75
1843.14 11
1844.88 9.5
1846.62 12
1848.36 9
1850.1 10.5
1851.84 10
1853.58 10
1855.32 8.75
1857.06 9
1858.8 11.25
1860.54 7.5
1862.27 9.75
1864.01 9.25
1865.74 11.75
1867.48 11.5
1869.22 10.75
1870.95 9.75
1872.68 8.75
1874.42 11
1876.15 11.25
1877.88 11
1879.61 9.5
1881.35 11
1883.08 10
1884.81 8.5
1886.54 12.25
1888.27 10.5
1890 10.75
1891.73 7.25
1893.45 11.25
1895.18 10
1896.91 11.5
1898.64 10.25
1900.36 9
1902.09 10.5
1903.81 12
1905.54 10.75
1907.26 8.75
1908.99 9.5
1910.71 11.5
1912.43 13
1914.16 9
1915.88 10.75
1917.6 9.75
1919.32 11
1921.04 9.5
1922.76 7.5
1924.48 10.25
1926.2 10.5
1927.92 11.75
1929.64 11
1931.36 9.5
1933.08 10.5
1934.79 7.25
1936.51 8.25
1938.23 11
1939.94 11.5
1941.66 8.25
1943.37 9
1945.08 9
1946.8 10.25
1948.51 11.75
1950.22 10.75
1951.94 10.5
1953.65 11
1955.36 8
1957.07 9.5
1958.78 10.75
1960.49 8.75
1962.2 9.5
1963.91 10.75
1965.62 9.5
1967.33 11.25
1969.03 9.75
1970.74 10
1972.45 9.75
1974.15 10
1975.86 10
1977.56 11.25
1979.27 11.25
1980.97 10
1982.68 9
1984.38 11
1986.08 10
1987.79 10
1989.49 11.25
1991.19 9.5
1992.89 10
1994.59 10.75
1996.29 7.5
1997.99 10.5
1999.69 10.25
