#------------------------------------------------------------------------------
#$Date: 2018-07-16 10:58:26 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1256 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500022.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_3500022
loop_
_publ_author_name
'El Mendili, Y'
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'Hydration of nuclear glass SON68'
_chemical_formula_structural     'Ca2.25 H7 O11 Si3'
_chemical_formula_sum            'Ca2.25 H7 O11 Si3'
_chemical_name_mineral           Tobermorite
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'B -2'
_symmetry_space_group_name_H-M   'B 1 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                123.18
_cell_length_a                   6.732
_cell_length_b                   7.369
_cell_length_c                   22.680
_cell_volume                     941.668
_raman_measurement.datetime_initiated 2017-09-18
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[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 60
_raman_measurement.range_min     91.4668
_raman_measurement.range_max     2258.48
_rod_data_source.file            3500022.rod
_rod_data_source.block           3500022
_rod_database.code               3500022
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
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 9005500 COD http://www.crystallography.net/cod/9005500.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
91.4668 1692
96.273 1761
101.079 1817
105.881 2045
110.682 2185
115.479 2202
120.273 2107
125.065 2017
129.857 1928
134.644 1865
139.429 1845
144.211 1872
148.991 1788
153.769 1807
158.544 1833
163.317 1681
168.088 1577
172.854 1579
177.62 1519
182.383 1527
187.142 1488
191.901 1466
196.655 1465
201.409 1490
206.159 1500
210.908 1444
215.653 1463
220.396 1475
225.138 1437
229.876 1484
234.611 1425
239.344 1515
244.075 1548
248.804 1632
253.53 1711
258.254 1754
262.973 1659
267.692 1630
272.409 1591
277.123 1645
281.833 1609
286.543 1609
291.248 1528
295.954 1518
300.654 1480
305.355 1514
310.051 1599
314.745 1669
319.436 1724
324.126 1611
328.815 1541
333.499 1514
338.182 1426
342.859 1420
347.537 1427
352.212 1396
356.885 1405
361.556 1408
366.223 1463
370.889 1484
375.551 1421
380.212 1433
384.87 1409
389.527 1348
394.179 1330
398.83 1349
403.48 1354
408.126 1380
412.769 1384
417.411 1388
422.05 1443
426.686 1455
431.321 1472
435.953 1546
440.583 1521
445.209 1613
449.834 1561
454.457 1571
459.076 1490
463.695 1494
468.309 1441
472.924 1481
477.533 1455
482.143 1542
486.748 1497
491.351 1475
495.952 1413
500.553 1366
505.15 1372
509.744 1323
514.336 1356
518.925 1360
523.511 1328
528.096 1344
532.679 1365
537.26 1346
541.838 1317
546.412 1305
550.987 1281
555.556 1355
560.126 1330
564.691 1306
569.254 1260
573.818 1327
578.376 1304
582.933 1338
587.487 1359
592.039 1371
596.589 1424
601.137 1464
605.682 1550
610.226 1659
614.767 1863
619.306 1925
623.842 1974
628.375 1838
632.907 1767
637.435 1648
641.963 1581
646.487 1647
651.011 1597
655.53 1725
660.047 1813
664.564 1915
669.077 2221
673.588 2794
678.096 3512
682.602 3978
687.107 3420
691.609 2534
696.106 2031
700.604 1736
705.099 1555
709.593 1474
714.082 1465
718.571 1458
723.055 1425
727.54 1393
732.021 1480
736.499 1424
740.977 1373
745.451 1370
749.923 1382
754.393 1387
758.86 1385
763.326 1390
767.789 1384
772.25 1402
776.709 1397
781.164 1379
785.619 1366
790.072 1406
794.52 1361
798.969 1395
803.413 1412
807.857 1382
812.297 1395
816.735 1433
821.173 1430
825.606 1410
830.038 1378
834.467 1418
838.894 1435
843.319 1394
847.742 1385
852.163 1413
856.582 1425
860.999 1440
865.412 1405
869.824 1413
874.235 1423
878.641 1434
883.047 1466
887.449 1436
891.849 1467
896.249 1455
900.645 1461
905.039 1540
909.43 1508
913.822 1501
918.209 1519
922.595 1479
926.976 1492
931.357 1511
935.737 1506
940.114 1460
944.489 1531
948.86 1464
953.231 1525
957.597 1503
961.964 1487
966.327 1588
970.689 1551
975.048 1586
979.404 1623
983.759 1655
988.111 1754
992.463 1766
996.812 1877
1001.16 2025
1005.5 2201
1009.84 2412
1014.18 2400
1018.52 2148
1022.85 1906
1027.19 1826
1031.52 1749
1035.85 1716
1040.17 1724
1044.5 1697
1048.82 1639
1053.14 1645
1057.46 1614
1061.77 1624
1066.09 1663
1070.4 1676
1074.71 1643
1079.02 1646
1083.32 1688
1087.62 1653
1091.92 1686
1096.22 1693
1100.52 1658
1104.81 1622
1109.11 1605
1113.4 1632
1117.68 1672
1121.97 1706
1126.25 1674
1130.54 1641
1134.82 1609
1139.09 1646
1143.37 1633
1147.64 1685
1151.91 1655
1156.18 1622
1160.45 1636
1164.71 1607
1168.98 1585
1173.24 1605
1177.49 1780
1181.75 1724
1186.01 1586
1190.26 1574
1194.51 1566
1198.76 1597
1203 1568
1207.24 1543
1211.49 1561
1215.73 1566
1219.96 1585
1224.2 1590
1228.43 1627
1232.66 1581
1236.89 1563
1241.12 1599
1245.34 1575
1249.57 1566
1253.79 1622
1258.01 1582
1262.22 1616
1266.44 1591
1270.65 1651
1274.86 1638
1279.07 1632
1283.27 1666
1287.48 1664
1291.68 1613
1295.88 1712
1300.08 1662
1304.28 1688
1308.47 1645
1312.66 1699
1316.85 1667
1321.04 1645
1325.22 1679
1329.41 1713
1333.59 1712
1337.77 1758
1341.94 1699
1346.12 1709
1350.29 1658
1354.46 1731
1358.63 1712
1362.8 1714
1366.96 1720
1371.13 1704
1375.29 1696
1379.45 1722
1383.61 1664
1387.76 1711
1391.91 1715
1396.06 1712
1400.21 1743
1404.36 1761
1408.5 1742
1412.65 1694
1416.79 1751
1420.93 1738
1425.06 1828
1429.2 1737
1433.33 1804
1437.46 1787
1441.59 1786
1445.71 1795
1449.84 1810
1453.96 1745
1458.08 1846
1462.2 1786
1466.32 1824
1470.43 1822
1474.54 1810
1478.65 1827
1482.76 1845
1486.87 1871
1490.97 1794
1495.08 1824
1499.18 1840
1503.27 1836
1507.37 1813
1511.47 1786
1515.56 1865
1519.65 1850
1523.74 1925
1527.82 1835
1531.91 1872
1535.99 1892
1540.07 1853
1544.15 1884
1548.23 1908
1552.3 1936
1556.37 1899
1560.44 1815
1564.51 1898
1568.58 1866
1572.64 1886
1576.71 1853
1580.77 1911
1584.82 1936
1588.88 1885
1592.94 1945
1596.99 1960
1601.04 1906
1605.09 1929
1609.14 1978
1613.18 1977
1617.22 2010
1621.27 1949
1625.31 1984
1629.34 1975
1633.38 1967
1637.41 1943
1641.44 1964
1645.47 1919
1649.5 2000
1653.52 1951
1657.55 1967
1661.57 1936
1665.59 1992
1669.61 1970
1673.62 2011
1677.64 1928
1681.65 1971
1685.66 1973
1689.67 1967
1693.67 1976
1697.68 1951
1701.68 1970
1705.68 2009
1709.68 1943
1713.67 2034
1717.67 2021
1721.66 2020
1725.65 2012
1729.64 1992
1733.63 2040
1737.61 2008
1741.59 2010
1745.58 2013
1749.56 2008
1753.53 1999
1757.51 2009
1761.48 2086
1765.45 2026
1769.42 2053
1773.39 2006
1777.36 2052
1781.32 2057
1785.28 2007
1789.24 2021
1793.2 2029
1797.16 2029
1801.11 2072
1805.06 2030
1809.01 2010
1812.96 2056
1816.91 2018
1820.85 2047
1824.8 2023
1828.74 2056
1832.68 2051
1836.61 2036
1840.55 2078
1844.48 2036
1848.41 2106
1852.34 2045
1856.27 2023
1860.2 2076
1864.12 2128
1868.04 2069
1871.97 2051
1875.88 2052
1879.8 2112
1883.72 1997
1887.63 2059
1891.54 2041
1895.45 2051
1899.36 2057
1903.26 2044
1907.16 2081
1911.07 2053
1914.97 2077
1918.86 2053
1922.76 2051
1926.65 2086
1930.55 2087
1934.44 2046
1938.32 2080
1942.21 2051
1946.1 2088
1949.98 2051
1953.86 2094
1957.74 2088
1961.62 2048
1965.5 2084
1969.37 2115
1973.24 2114
1977.11 2093
1980.98 2114
1984.85 2085
1988.71 2098
1992.57 2036
1996.44 2109
2000.3 2057
2004.15 2092
2008.01 2120
2011.86 2093
2015.71 2119
2019.56 2063
2023.41 2079
2027.26 2085
2031.1 2113
2034.94 2159
2038.79 2120
2042.63 2109
2046.46 2168
2050.3 2071
2054.13 2108
2057.96 2121
2061.79 2139
2065.62 2121
2069.45 2080
2073.27 2089
2077.09 2148
2080.91 2102
2084.74 2157
2088.55 2098
2092.37 2155
2096.18 2156
2099.99 2149
2103.8 2162
2107.61 2149
2111.42 2140
2115.22 2155
2119.03 2187
2122.83 2146
2126.63 2140
2130.42 2196
2134.22 2168
2138.01 2156
2141.81 2149
2145.6 2202
2149.39 2198
2153.17 2155
2156.96 2256
2160.74 2265
2164.52 2197
2168.3 2163
2172.08 2234
2175.85 2200
2179.63 2195
2183.4 2163
2187.17 2205
2190.94 2261
2194.71 2193
2198.47 2216
2202.24 2289
2206 2289
2209.76 2257
2213.52 2267
2217.28 2259
2221.03 2303
2224.78 2305
2228.53 2256
2232.28 2286
2236.03 2266
2239.78 2342
2243.52 2374
2247.27 2389
2251.01 2372
2254.75 2343
2258.48 2306
loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2018-07-16T10:58:25+0300
'Data item _raman_measurement.datetime_initiated added'