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a18266183801金虫 (初入文坛)
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[求助]
求助两个标准XRD卡片 啊，P25的锐钛矿和金红石JCPDS 86-0148和JCPDS 84-1285 已有1人参与
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| 求助两个标准XRD卡片 啊，P25的锐钛矿和金红石JCPDS 86-0148和JCPDS 84-1285 |
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xhtangxh
木虫 (著名写手)
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Name and formula Reference code: 01-084-1285 Mineral name: Anatase, syn Compound name: Titanium Oxide Common name: Titanium dioxide Empirical formula: O2Ti Chemical formula: TiO2 Crystallographic parameters Crystal system: Tetragonal Space group: I41/amd Space group number: 141 a (?): 3.7848 b (?): 3.7848 c (?): 9.5124 Alpha (°): 90.0000 Beta (°): 90.0000 Gamma (°): 90.0000 Calculated density (g/cm^3): 3.89 Volume of cell (10^6 pm^3): 136.26 Z: 4.00 RIR: 4.99 Subfiles and quality Subfiles: Alloy, metal or intermetalic Corrosion ICSD Pattern Inorganic Mineral Pharmaceutical Quality: Calculated (C) Comments ICSD collection code: 202242 Creation Date: 1970/1/1 Modification Date: 1970/1/1 ICSD Collection Code: 202242 Temperature Factor: ATF Temperature of Data Collection: REM TEM 22 C Calculated Pattern Original Remarks: REM M PDF 21-1272 Structural-electronic relationships in inorganic solids: Powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295K. e b (I41/AMDZ). AX2. References Primary reference: Calculated from ICSD using POWD-12++, (1997) Structure: Burdett, J.K., Hughbanks, T., Miller, G.J., Richardson, J.W., Smith, J.V., J. Am. Chem. Soc., 109, 3639, (1987) Peak list No. h k l d [A] 2Theta[deg] I [%] 1 1 0 1 3.51666 25.306 100.0 2 1 0 3 2.43056 36.954 6.0 3 0 0 4 2.37810 37.800 18.8 4 1 1 2 2.33237 38.570 7.2 5 2 0 0 1.89240 48.039 24.6 6 1 0 5 1.69982 53.894 15.2 7 2 1 1 1.66644 55.064 15.2 8 2 1 3 1.49319 62.112 2.7 9 2 0 4 1.48077 62.692 11.3 10 1 1 6 1.36402 68.767 4.8 11 2 2 0 1.33813 70.291 5.2 12 1 0 7 1.27897 74.067 0.5 13 2 1 5 1.26457 75.055 7.9 14 3 0 1 1.25065 76.038 2.1 15 2 0 6 1.21528 78.669 0.1 16 0 0 8 1.18905 80.756 0.4 17 3 0 3 1.17222 82.163 0.5 18 2 2 4 1.16619 82.680 3.9 19 3 1 2 1.16067 83.160 1.7 |
a182661838013楼2015-10-20 11:58:29
xhtangxh
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
a18266183801: 金币+20, ★★★★★最佳答案 2015-10-20 14:25:12
感谢参与，应助指数 +1
a18266183801: 金币+20, ★★★★★最佳答案 2015-10-20 14:25:12
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Name and formula Reference code: 01-086-0148 Mineral name: Rutile, syn Compound name: Titanium Oxide Common name: Titanium dioxide Empirical formula: O2Ti0.992 Chemical formula: Ti0.992O2 Crystallographic parameters Crystal system: Tetragonal Space group: P42/mnm Space group number: 136 a (?): 4.5922 b (?): 4.5922 c (?): 2.9574 Alpha (°): 90.0000 Beta (°): 90.0000 Gamma (°): 90.0000 Calculated density (g/cm^3): 4.23 Volume of cell (10^6 pm^3): 62.37 Z: 2.00 RIR: 3.57 Subfiles and quality Subfiles: Alloy, metal or intermetalic Corrosion ICSD Pattern Inorganic Mineral Quality: Calculated (C) Comments ICSD collection code: 080843 Creation Date: 1970/1/1 Modification Date: 1970/1/1 ICSD Collection Code: 080843 Temperature Factor: ATF Temperature of Data Collection: REM TEM 27 C. H in rutile-type compounds:I.Single-crystal neutron and X-ray diffraction study of H in rutile. f a (P42/MNM). AX2. References Primary reference: Calculated from ICSD using POWD-12++, (1997) Structure: Swope, R.J., Smyth, J.R., Larson, A.C., Am. Mineral., 80, 448, (1995) Peak list No. h k l d [A] 2Theta[deg] I [%] 1 1 1 0 3.24718 27.445 100.0 2 1 0 1 2.48640 36.095 43.1 3 2 0 0 2.29610 39.204 6.3 4 1 1 1 2.18648 41.256 17.2 5 2 1 0 2.05369 44.059 6.1 6 2 1 1 1.68686 54.342 47.9 7 2 2 0 1.62359 56.646 13.8 8 0 0 2 1.47870 62.789 6.5 9 3 1 0 1.45218 64.071 6.4 10 2 2 1 1.42322 65.536 0.5 11 3 0 1 1.35943 69.032 15.5 12 1 1 2 1.34574 69.835 7.7 13 3 1 1 1.30351 72.448 0.8 14 3 2 0 1.27365 74.429 0.2 15 2 0 2 1.24320 76.575 1.6 16 2 1 2 1.20000 79.870 0.9 17 3 2 1 1.16978 82.371 3.0 18 4 0 0 1.14805 84.283 2.0 19 4 1 0 1.11377 87.516 0.7 20 2 2 2 1.09324 89.595 4.8 |
2楼2015-10-20 11:57:52
a18266183801
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4楼2015-10-20 14:25:52