#------------------------------------------------------------------------------ #$Date: 2017-09-20 18:00:36 +0300 (Wed, 20 Sep 2017) $ #$Revision: 170 $ #$URL: svn://172.16.1.111/rod/cif/3/50/00/3500034.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_3500034 loop_ _publ_author_name 'El Mendili, Y' _publ_section_title ; Raman spectrum of pyrosmalite-(Fe) hydration product ; _journal_name_full 'Personal communication to ROD' _journal_year 2017 _chemical_compound_source 'SON68 nuclear glass hydration product' _chemical_formula_structural 'Cl1.857 Fe8 H12.025 O23.584 Si6' _chemical_formula_sum 'Cl1.857 Fe8 H12.025 O23.584 Si6' _chemical_name_mineral Pyrosmalite-(Fe) _chemical_name_systematic Pyrosmalite-(Fe) _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 13.3165 _cell_length_b 13.3165 _cell_length_c 7.0845 _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.name 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 100 _raman_measurement.range_min 121.4356 _raman_measurement.range_max 4001.49 _rod_data_source.file pyrosmalite.rod _rod_data_source.block 1000000 _rod_database.code 3500034 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 9015958 COD http://www.crystallography.net/cod/9015958.html ; no XRD analysis data. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 121.4356 1881.33 126.2491 1884 131.058 1820.33 135.8667 1957 140.671 2112.33 145.475 2256.33 150.274 2309.67 155.071 2343 159.868 2385 164.66 2402 169.45 2351.33 174.237 2365.33 179.022 2300.33 183.805 2307.67 188.585 2298 193.363 2267.67 198.138 2298.33 202.911 2294.67 207.68 2289 212.448 2274.67 217.215 2254.33 221.978 2276.67 226.737 2257 231.496 2267.67 236.251 2279 241.005 2242.33 245.755 2274 250.502 2344 255.249 2415.67 259.992 2488 264.732 2407.33 269.471 2282.67 274.206 2290.33 278.939 2274.33 283.67 2261 288.399 2267.33 293.125 2314 297.849 2301.67 302.571 2313.67 307.288 2377.67 312.005 2404.67 316.72 2504.33 321.43 2523 326.14 2566.33 330.846 2484 335.549 2432 340.252 2453 344.951 2393.33 349.647 2375.33 354.343 2329.67 359.035 2286.67 363.724 2240 368.411 2274.67 373.096 2202 377.779 2196.33 382.459 2166.67 387.137 2175 391.81 2153.67 396.483 2138.67 401.154 2138 405.821 2137 410.487 2136 415.149 2124.33 419.811 2195.67 424.469 2202 429.126 2200.33 433.779 2219.33 438.429 2194.33 443.078 2141 447.724 2100.67 452.37 2040.67 457.011 2031 461.65 2013.33 466.285 1987.33 470.92 2006 475.552 2034 480.182 2064.33 484.81 2166.33 489.434 2190.67 494.057 2251.33 498.678 2266 503.295 2294.67 507.91 2215.33 512.524 2136.33 517.134 2103.33 521.744 2151.67 526.35 2090.67 530.953 2076.67 535.554 2075 540.153 2030.67 545.6782 2047.37912 547.6067 2049.26113 549.5352 2051.53821 551.4636 2053.04846 553.3921 2056.71813 555.3206 2061.99262 557.249 2069.92629 559.1775 2082.04621 561.106 2098.56488 563.0344 2119.37071 564.9629 2144.61867 566.8914 2174.97125 568.8198 2205.30421 570.7483 2239.83692 572.6768 2271.2375 574.6052 2294.27625 576.5337 2309.22042 578.4622 2319.15417 580.3906 2321.68583 582.319 2320.88333 584.2475 2321.43375 586.176 2319.7325 588.1044 2323.67625 590.0329 2334.45042 591.9614 2351.95 593.8898 2375.20292 595.8183 2405.31083 597.7468 2440.29208 599.6752 2479.49208 601.6037 2523.11167 603.5322 2569.59583 605.4606 2616.19375 607.3891 2667.4675 609.3176 2726.30833 611.246 2792.44208 613.1745 2863.66292 615.103 2957.55208 617.0314 3047.73333 618.9599 3106.60083 620.8884 3140.40417 622.8168 3133.70292 624.7453 3064.76125 626.6738 2955.44542 628.6022 2840.16875 630.5307 2709.98167 632.4592 2589.90375 634.3876 2483.89917 636.3161 2393.4375 638.2446 2319.58042 640.173 2265.60875 642.1015 2223.71842 644.03 2191.703 645.9584 2169.10079 647.8869 2151.36842 649.8154 2139.90463 651.7438 2131.44842 653.6723 2124.44613 655.6008 2118.98412 657.5292 2114.59546 659.4577 2111.82254 661.3862 2109.88562 663.3146 2108.05767 665.2431 2106.28079 667.1716 2104.81796 669.1 2104.43721 671.0285 2104.25162 672.957 2102.31317 674.8854 2097.54342 676.8139 2093.47917 678.7424 2091.69458 680.6708 2091.42208 682.5993 2090.81862 684.5278 2089.58467 686.4562 2088.22462 688.3847 2086.50783 690.3132 2084.58846 692.2416 2083.72308 694.1701 2084.34296 696.0986 2085.577 698.027 2087.19638 699.9555 2089.24783 701.884 2090.88929 703.8124 2091.38642 705.7409 2091.99571 707.6694 2093.59704 709.5978 2096.29238 711.5263 2098.68654 713.4548 2100.25104 715.3832 2101.69888 717.3117 2103.56488 719.2402 2106.00021 721.1686 2108.52346 723.0971 2111.58617 725.0256 2114.54379 726.954 2116.41313 728.8825 2116.85567 730.811 2117.74846 732.7394 2120.12558 734.6679 2122.94958 736.5964 2124.86617 738.5248 2125.26658 740.4533 2125.61546 742.3818 2126.68992 744.3102 2127.77058 746.2387 2127.17238 748.1672 2124.12479 750.0956 2121.32125 752.0241 2119.76058 753.9526 2119.09975 755.881 2118.55771 757.8095 2117.73192 759.738 2117.51308 761.6664 2118.02242 763.5949 2119.29233 765.5234 2121.37058 767.4518 2124.84175 769.3803 2128.13987 771.3088 2130.704 773.2372 2132.602 775.1657 2133.957 777.0942 2135.43967 779.0226 2135.66021 780.9511 2133.42433 782.8796 2128.9205 784.808 2125.744 786.7365 2124.50158 788.665 2123.83387 790.5934 2123.09017 792.5219 2122.31233 794.4504 2122.03183 796.3788 2122.18392 798.3073 2122.99717 800.2358 2124.69296 802.1642 2127.36021 804.0927 2130.29263 806.0212 2133.77579 807.9496 2137.2205 809.8781 2140.21763 811.8066 2142.78646 813.735 2145.54304 815.6635 2149.70017 817.592 2153.00788 819.5204 2154.54592 821.4489 2154.15613 823.3774 2152.54796 825.3058 2149.615 827.2343 2145.60558 829.1628 2140.28488 831.0912 2133.75912 833.0197 2127.36592 834.9482 2120.87554 836.8766 2114.83425 838.8051 2109.27617 840.7336 2104.12771 842.662 2100.44096 844.5905 2099.22167 846.519 2098.50971 848.4474 2097.36467 850.3759 2095.87671 852.3044 2094.543 854.2328 2093.37971 856.1613 2092.49271 858.0898 2091.90125 860.0182 2091.60471 861.9467 2091.67487 863.8752 2092.60237 865.8036 2093.36717 867.7321 2093.24533 869.6606 2092.45233 871.5891 2092.08092 873.5175 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2194.53279 1556.195 2195.34771 1558.123 2196.06246 1560.052 2196.42267 1561.98 2196.48296 1563.909 2196.324 1565.837 2195.80333 1567.766 2195.456 1569.694 2195.26604 1571.622 2195.25204 1573.551 2195.505 1575.479 2195.88433 1577.408 2196.22358 1579.336 2196.52133 1581.265 2196.88108 1583.193 2197.261 1585.122 2197.75575 1587.05 2198.65167 1588.979 2199.38892 1590.907 2199.27754 1592.836 2198.64862 1594.764 2198.83363 1596.693 2200.11258 1598.621 2201.05796 1600.549 2201.18067 1602.478 2201.34196 1604.406 2202.34625 1606.335 2203.35787 1608.263 2202.83162 1610.192 2200.8595 1612.12 2199.94046 1614.049 2200.60267 1615.977 2201.49304 1617.906 2202.55571 1619.834 2203.43533 1621.763 2203.79142 1623.691 2203.7485 1625.62 2203.58967 1627.548 2203.24988 1629.476 2203.19204 1631.405 2203.80717 1633.333 2204.22813 1635.262 2203.68517 1637.19 2202.96708 1639.119 2203.20954 1641.047 2204.23438 1642.976 2204.51567 1644.904 2203.63021 1646.833 2202.96271 1648.761 2203.07308 1650.69 2203.29942 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