#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/7/20/00/7200002.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_7200002
loop_
_publ_author_name
'El Mendili, Y'
'Abdelouas, A.'
'Bardeau, Jf'
_publ_section_title
;
 Insight Into the Mechanism of Carbon Steel Corrosion Under Aerobic and
 Anaerobic Conditions
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_page_first              9197
_journal_page_last               9204
_journal_volume                  15
_journal_year                    2013
_chemical_compound_source        'Corrosion product'
_chemical_formula_structural     'Fe2 O3'
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Maghemite
_chemical_name_systematic        'Fe2 O3'
_space_group_IT_number           227
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.33
_cell_length_b                   8.33
_cell_length_c                   8.33
_[local]_database_code_rod       10000007
_raman_determination_method      experimental
_[local]_chemical_compound_color brown
_[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 simple
_raman_measurement_device.resolution 2
_raman_measurement_device.power_on_sample 2
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 0.8
_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 600
_raman_measurement.range_min     91.3526
_raman_measurement.range_max     2258.39
_rod_data_source.file            Maghemite.rod
_rod_data_source.block           1000007
_rod_database.code               7200002
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
loop_
_raman_prediction.id
_raman_prediction.method
_raman_prediction.active_bands
_raman_prediction.mode_count
1 DFT 'A1 + E + T1' 3
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 Silicon_wafer
2 Diamond
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 9006315 COD http://www.crystallography.net/cod/9006315.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
91.3526 1043.67
96.1612 1114.33
100.965 1169.33
105.769 1241.67
110.568 1272.33
115.367 1312.33
120.161 1328
124.953 1343.33
129.743 1342
134.533 1353.33
139.317 1374.33
144.1 1383.33
148.88 1366
153.658 1357.67
158.433 1327.33
163.204 1314.33
167.975 1330.67
172.743 1322
177.509 1306
182.27 1310.33
187.031 1290.33
191.79 1315
196.544 1337.33
201.299 1345
206.048 1329
210.795 1346.67
215.543 1342.67
220.285 1346.33
225.025 1353
229.763 1325
234.501 1321.33
239.234 1339
243.965 1381
248.693 1332.67
253.42 1372.67
258.141 1355.33
262.863 1356
267.582 1388.67
272.299 1391
277.011 1401.67
281.724 1430.67
286.433 1450.67
291.139 1475.67
295.842 1495
300.545 1493.67
305.243 1494.33
309.942 1498.33
314.636 1499.67
319.327 1526.67
324.016 1498.67
328.703 1510
333.388 1535
338.07 1552.33
342.75 1536.33
347.428 1540.67
352.103 1540.33
356.777 1522.67
361.445 1530.67
366.114 1543
370.78 1515.33
375.442 1543.67
380.104 1510.33
384.761 1506.67
389.416 1454
394.071 1475.67
398.721 1449.33
403.369 1447
408.018 1395.67
412.661 1374.33
417.303 1331.67
421.942 1326
426.578 1317
431.213 1342
435.845 1309
440.473 1337.33
445.101 1336.33
449.726 1327
454.35 1346
458.969 1341.33
463.587 1332.67
468.202 1347.67
472.816 1358
477.426 1351.67
482.033 1345.67
486.641 1379.67
491.244 1351.33
495.845 1364.67
500.444 1357.33
505.04 1364.33
509.634 1360.33
514.226 1375
518.816 1341.67
523.404 1347.67
527.989 1360.33
532.572 1368
537.153 1359.33
541.729 1325.67
546.306 1344.67
550.878 1360.33
555.45 1308.33
560.017 1355.67
564.585 1365.33
569.148 1380.33
573.711 1396
578.27 1382.67
582.826 1376.33
587.381 1386.33
591.933 1414.67
596.483 1420
601.031 1418
605.576 1440
610.12 1426.67
614.661 1447.33
619.2 1493.67
623.734 1500.67
628.269 1520
632.801 1556.67
637.33 1590
641.858 1613.33
646.381 1653.33
650.903 1679.33
655.424 1681
659.942 1741.33
664.457 1727.33
668.969 1769.67
673.482 1780.67
677.991 1786.67
682.497 1791.67
687.001 1772
691.501 1756.67
696.001 1744.67
700.499 1732.67
704.994 1725.33
709.486 1678
713.977 1640.33
718.464 1587.33
722.951 1534
727.433 1511
731.916 1424.33
736.394 1356.67
740.871 1312.67
745.347 1272.33
749.819 1210.33
754.288 1195.67
758.756 1160.33
763.222 1133.67
767.685 1094.33
772.146 1074
776.603 1056
781.06 1029
785.515 1008.67
789.966 1003.33
794.416 982.333
798.865 968
803.309 938.333
807.753 964
812.193 966.333
816.631 920.333
821.067 896.667
825.503 910.667
829.934 903.333
834.364 891
838.791 892.667
843.216 869
847.639 859.667
852.06 881.667
856.479 871
860.894 858.667
865.308 873.333
869.721 878.667
874.129 852.667
878.538 867.667
882.942 884.333
887.346 863.667
891.746 863
896.146 836.333
900.542 839.667
904.936 850.667
909.328 854.667
913.717 849
918.105 825
922.49 853.333
926.874 840.333
931.255 844.333
935.634 834.667
940.011 830
944.384 841
948.757 842.667
953.128 845
957.495 840.333
961.862 832.667
966.225 831
970.585 827.667
974.946 818.333
979.302 809.333
983.657 825.333
988.009 824.667
992.36 837.667
996.708 828.667
1001.05 825.333
1005.4 831.667
1009.74 828
1014.08 840.667
1018.42 831.333
1022.75 854
1027.09 837.667
1031.42 846
1035.75 869.667
1040.07 850
1044.4 818.667
1048.72 848
1053.04 832.667
1057.36 854.333
1061.67 856.333
1065.99 871.333
1070.3 859.333
1074.61 891
1078.91 940
1083.22 902.667
1087.52 870.667
1091.82 857.333
1096.12 856
1100.42 851.667
1104.71 858
1109 858
1113.3 879
1117.58 851.333
1121.87 887.667
1126.15 878.333
1130.44 862.333
1134.72 843.667
1138.99 880.667
1143.27 855
1147.54 882.333
1151.81 884
1156.08 890.333
1160.35 871.333
1164.61 895.667
1168.88 925
1173.14 882.667
1177.39 919.667
1181.65 922
1185.91 888
1190.16 910.667
1194.41 900.667
1198.66 909
1202.9 905.667
1207.14 920
1211.39 880.333
1215.63 905.333
1219.86 907.333
1224.1 908
1228.33 917
1232.56 941.667
1236.79 916.667
1241.02 935.333
1245.25 945.333
1249.47 946.333
1253.69 974
1257.91 966.333
1262.12 978.667
1266.34 955.667
1270.55 1016.33
1274.76 993.333
1278.97 1012.67
1283.18 1014.67
1287.38 1002
1291.58 1031.33
1295.78 1031
1299.98 1050.33
1304.17 1042
1308.37 1081
1312.56 1071.67
1316.75 1055.67
1320.94 1071.33
1325.12 1041.67
1329.31 1062.33
1333.49 1067.67
1337.67 1065.67
1341.85 1059.33
1346.02 1038.33
1350.19 1063
1354.36 1059.67
1358.53 1049.33
1362.7 1051
1366.87 1038.33
1371.03 1019
1375.19 1029.67
1379.35 1031.67
1383.51 1032
1387.66 1019.33
1391.81 1030
1395.97 1036
1400.11 1008
1404.26 1011.67
1408.4 1018
1412.55 1026.33
1416.69 985.667
1420.83 994.333
1424.96 996.667
1429.1 971.333
1433.23 984
1437.36 961
1441.49 962
1445.62 959
1449.74 919
1453.86 915.667
1457.98 898.667
1462.1 903.333
1466.22 893
1470.33 878.667
1474.45 885.333
1478.56 873.333
1482.67 877.333
1486.77 879.333
1490.88 864.667
1494.98 851
1499.08 852.667
1503.18 839.333
1507.27 852.667
1511.37 808.667
1515.46 822.667
1519.55 827
1523.64 842.667
1527.73 815
1531.81 813
1535.89 830.333
1539.97 808.333
1544.05 827.333
1548.13 797
1552.21 816.667
1556.28 815.667
1560.35 806
1564.42 807.333
1568.48 796.667
1572.55 805
1576.61 800.333
1580.67 804.667
1584.73 788
1588.79 790.333
1592.84 804
1596.89 809
1600.95 784.333
1604.99 773.667
1609.04 775.667
1613.09 790
1617.13 779
1621.17 757.333
1625.21 740.333
1629.25 742.667
1633.28 742.333
1637.32 736.667
1641.35 735
1645.38 749.333
1649.4 747
1653.43 721.333
1657.45 748
1661.47 736.667
1665.49 737.667
1669.51 739.667
1673.53 732.333
1677.54 748.333
1681.55 739
1685.56 740.667
1689.57 722
1693.58 737.333
1697.58 724
1701.58 738
1705.58 731
1709.58 728.333
1713.58 720
1717.57 724.333
1721.57 743
1725.56 725.667
1729.55 731.333
1733.53 734.333
1737.52 717.667
1741.5 742
1745.48 705.667
1749.46 729
1753.44 726.667
1757.41 739.667
1761.39 730
1765.36 704
1769.33 724.667
1773.3 734.667
1777.26 743
1781.23 718.333
1785.19 740
1789.15 724.667
1793.11 725.667
1797.06 726
1801.02 728.333
1804.97 738
1808.92 726
1812.87 740.667
1816.81 732
1820.76 732.333
1824.7 724
1828.64 715.333
1832.58 725.333
1836.52 721.667
1840.46 718.333
1844.39 708.333
1848.32 717.333
1852.25 733
1856.18 724.667
1860.11 737.333
1864.03 721
1867.95 725
1871.87 731.667
1875.79 718
1879.71 721.333
1883.62 716.667
1887.53 717.667
1891.45 722.333
1895.36 715.667
1899.26 730
1903.17 721.333
1907.07 706.333
1910.97 719.333
1914.87 720.667
1918.77 699.333
1922.67 727.333
1926.56 731.667
1930.45 747.667
1934.35 716
1938.23 713.333
1942.12 708.667
1946.01 729.667
1949.89 720.333
1953.77 729.667
1957.65 723.667
1961.53 740
1965.4 724.333
1969.28 707
1973.15 722.333
1977.02 717.333
1980.89 736.667
1984.76 725.333
1988.62 719.667
1992.48 719
1996.34 737.333
2000.2 721
2004.06 710
2007.92 733.333
2011.77 721
2015.62 714
2019.47 733.333
2023.32 716.667
2027.17 727
2031.01 715.333
2034.85 717.333
2038.7 704.667
2042.53 713
2046.37 713.667
2050.21 722
2054.04 735.333
2057.87 713
2061.7 715.333
2065.53 725.333
2069.36 748
2073.18 734.667
2077 740
2080.82 728.333
2084.65 724
2088.46 724.333
2092.28 744.333
2096.09 742.667
2099.9 725.667
2103.71 746
2107.52 736.667
2111.33 742
2115.13 732.667
2118.94 729.333
2122.74 725
2126.54 736
2130.33 747.333
2134.13 713.333
2137.92 753.667
2141.72 730.667
2145.51 757.667
2149.3 753.333
2153.08 743.333
2156.87 754.667
2160.65 759.333
2164.43 738
2168.21 743.667
2171.99 740.333
2175.77 738
2179.54 751.333
2183.31 753
2187.08 732.667
2190.85 734.667
2194.62 730.667
2198.39 756.667
2202.15 746.333
2205.91 746.667
2209.67 773.667
2213.43 760.333
2217.19 746.667
2220.94 770.333
2224.69 771.667
2228.45 751.333
2232.2 763
2235.94 759.333
2239.69 768
2243.43 780
2247.18 774.333
2250.92 779.667
2254.66 779.667
2258.39 784.333