#------------------------------------------------------------------------------
#$Date: 2017-10-06 15:13:44 +0300 (Fri, 06 Oct 2017) $
#$Revision: 226 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500025.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_3500025
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of quartz from granite SOLSA sample
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'SOLSA Granite'
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_chemical_name_systematic        Quartz
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.913
_cell_length_b                   4.913
_cell_length_c                   5.404
_cod_original_formula_sum        'Si O2'
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_raman_measurement_device.location ENSICAEN
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.name   DXR
_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 0.25
_raman_measurement_device.excitation_laser_type other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 3
_raman_measurement_device.power_on_sample 1
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.3
_raman_measurement_device.diffraction_grating 900
_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     101.485
_raman_measurement.range_max     2266.33
_rod_data_source.file            Quartz.rod
_rod_data_source.block           1000000
_rod_database.code               3500025
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
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 1011097 COD http://www.crystallography.net/cod/1011097.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
101.485 122
106.289 142
111.088 166
115.886 201
120.681 260
125.472 601
130.264 1211
135.051 826
139.836 340
144.618 278
149.398 269
154.175 244
158.95 234
163.723 230
168.493 236
173.261 269
178.025 323
182.788 390
187.549 540
192.306 774
197.062 1056
201.813 1498
206.565 1831
211.312 1946
216.059 1688
220.801 1309
225.541 977
230.279 698
235.016 537
239.749 456
244.48 342
249.208 309
253.934 284
258.658 294
263.377 443
268.096 483
272.812 276
277.527 159
282.236 141
286.946 132
291.653 116
296.356 125
301.059 107
305.757 100
310.453 101
315.149 93
319.84 97
324.529 93
329.216 101
333.9 90
338.582 110
343.262 108
347.939 123
352.615 245
357.288 458
361.958 223
366.624 129
371.29 126
375.952 112
380.613 113
385.273 118
389.927 131
394.58 181
399.232 187
403.88 231
408.526 178
413.169 117
417.812 134
422.451 131
427.088 156
431.722 157
436.354 178
440.982 238
445.609 380
450.235 697
454.858 1163
459.476 2640
464.095 6067
468.709 6700
473.323 3322
477.933 1486
482.542 883
487.147 616
491.75 448
496.353 399
500.951 301
505.548 287
510.142 266
514.733 231
519.323 215
523.91 201
528.495 177
533.078 172
537.658 168
542.235 142
546.811 154
551.385 130
555.954 143
560.524 126
565.089 115
569.654 126
574.215 120
578.773 99
583.33 119
587.886 115
592.438 119
596.988 118
601.535 127
606.08 110
610.624 100
615.164 108
619.701 107
624.238 107
628.772 105
633.304 115
637.832 109
642.36 102
646.883 105
651.407 101
655.926 95
660.443 98
664.96 102
669.472 100
673.983 106
678.491 102
682.997 93
687.501 123
692.003 123
696.503 158
701 146
705.493 123
709.986 111
714.477 107
718.964 103
723.451 104
727.933 101
732.416 109
736.894 101
741.37 102
745.846 96
750.317 97
754.787 97
759.254 108
763.72 110
768.183 114
772.644 113
777.103 123
781.559 108
786.014 124
790.464 168
794.915 216
799.361 236
803.807 216
808.249 236
812.691 196
817.128 158
821.566 135
825.999 130
830.431 107
834.86 115
839.287 117
843.712 108
848.135 114
852.555 110
856.974 105
861.391 107
865.805 117
870.215 102
874.626 109
879.034 108
883.438 97
887.842 113
892.242 111
896.641 117
901.037 110
905.431 109
909.822 115
914.214 117
918.601 104
922.986 113
927.369 117
931.75 108
936.127 100
940.504 100
944.879 94
949.252 93
953.62 106
957.989 102
962.354 92
966.718 99
971.078 95
975.439 97
979.795 86
984.149 89
988.501 99
992.852 99
997.202 92
1001.55 92
1005.89 99
1010.23 94
1014.57 88
1018.91 89
1023.24 101
1027.58 98
1031.91 99
1036.24 95
1040.56 99
1044.89 99
1049.21 101
1053.53 104
1057.85 123
1062.16 152
1066.48 175
1070.79 153
1075.1 168
1079.4 223
1083.71 234
1088.01 146
1092.31 119
1096.61 106
1100.91 111
1105.2 106
1109.49 95
1113.79 95
1118.07 104
1122.36 102
1126.64 101
1130.92 98
1135.2 103
1139.48 108
1143.76 108
1148.03 119
1152.3 136
1156.57 184
1160.84 197
1165.1 147
1169.36 122
1173.62 103
1177.88 100
1182.14 99
1186.39 91
1190.64 93
1194.89 99
1199.14 96
1203.39 99
1207.63 95
1211.87 95
1216.11 92
1220.35 98
1224.58 103
1228.82 104
1233.05 111
1237.28 102
1241.51 94
1245.73 87
1249.95 94
1254.17 96
1258.39 101
1262.61 94
1266.82 93
1271.04 90
1275.25 101
1279.45 97
1283.66 97
1287.86 92
1292.07 95
1296.27 90
1300.46 99
1304.66 92
1308.85 90
1313.04 95
1317.24 88
1321.42 94
1325.61 93
1329.79 82
1333.97 87
1338.15 85
1342.33 84
1346.5 87
1350.68 92
1354.85 92
1359.02 90
1363.18 95
1367.35 90
1371.51 85
1375.67 82
1379.83 95
1383.99 88
1388.14 91
1392.3 88
1396.45 83
1400.6 78
1404.74 89
1408.89 90
1413.03 87
1417.17 90
1421.31 98
1425.45 92
1429.58 91
1433.71 102
1437.84 95
1441.97 101
1446.1 96
1450.22 88
1454.34 96
1458.47 106
1462.58 92
1466.7 96
1470.81 80
1474.93 88
1479.04 87
1483.15 89
1487.25 86
1491.36 90
1495.46 101
1499.56 95
1503.66 95
1507.75 87
1511.85 88
1515.94 96
1520.03 97
1524.12 99
1528.21 95
1532.29 96
1536.37 83
1540.45 94
1544.53 95
1548.61 96
1552.68 92
1556.76 96
1560.83 92
1564.89 89
1568.96 94
1573.03 96
1577.09 90
1581.15 95
1585.21 88
1589.26 91
1593.32 88
1597.37 91
1601.42 95
1605.47 95
1609.52 93
1613.56 97
1617.61 99
1621.65 94
1625.69 96
1629.72 93
1633.76 95
1637.79 91
1641.82 88
1645.85 95
1649.88 98
1653.9 89
1657.93 99
1661.95 100
1665.97 100
1669.99 92
1674 84
1678.02 102
1682.03 95
1686.04 87
1690.05 89
1694.05 87
1698.06 96
1702.06 88
1706.06 75
1710.06 88
1714.05 89
1718.05 78
1722.04 95
1726.03 93
1730.02 91
1734.01 98
1737.99 92
1741.98 93
1745.96 90
1749.94 88
1753.91 79
1757.89 91
1761.86 91
1765.83 91
1769.8 80
1773.77 84
1777.74 81
1781.7 88
1785.66 97
1789.62 86
1793.58 93
1797.54 91
1801.49 87
1805.44 95
1809.39 91
1813.34 86
1817.29 92
1821.23 93
1825.18 91
1829.12 90
1833.06 89
1836.99 82
1840.93 86
1844.86 83
1848.79 86
1852.72 97
1856.65 92
1860.58 89
1864.5 100
1868.42 85
1872.34 84
1876.26 96
1880.18 92
1884.09 82
1888.01 85
1891.92 80
1895.83 87
1899.73 96
1903.64 89
1907.54 75
1911.44 77
1915.34 82
1919.24 93
1923.14 75
1927.03 84
1930.92 85
1934.82 84
1938.7 83
1942.59 82
1946.48 88
1950.36 81
1954.24 84
1958.12 82
1962 85
1965.87 86
1969.75 81
1973.62 76
1977.49 87
1981.36 87
1985.22 89
1989.09 78
1992.95 86
1996.81 83
2000.67 82
2004.53 79
2008.38 84
2012.24 91
2016.09 82
2019.94 83
2023.79 80
2027.64 87
2031.48 86
2035.32 80
2039.16 87
2043 93
2046.84 81
2050.68 86
2054.51 84
2058.34 82
2062.17 87
2066 85
2069.83 79
2073.65 81
2077.47 86
2081.29 90
2085.11 93
2088.93 81
2092.74 83
2096.56 87
2100.37 85
2104.18 88
2107.99 94
2111.79 83
2115.6 89
2119.4 81
2123.2 87
2127 83
2130.8 86
2134.6 82
2138.39 85
2142.18 86
2145.97 86
2149.76 95
2153.55 91
2157.33 89
2161.12 85
2164.9 91
2168.68 96
2172.46 90
2176.23 85
2180.01 85
2183.78 89
2187.55 84
2191.32 91
2195.09 79
2198.85 87
2202.61 98
2206.38 78
2210.14 94
2213.9 91
2217.65 87
2221.41 95
2225.16 90
2228.91 84
2232.66 99
2236.41 91
2240.15 91
2243.9 90
2247.64 88
2251.38 94
2255.12 85
2258.86 88
2262.59 80
2266.33 89
loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2017-09-19T18:26:49+0300 'not the right spectrum'
2 elmendili 2017-10-06T15:13:43+0300 'COD entry is wrong'