XRD标准谱图(锐钛 金红石)

Name and formula Reference code: 21-1272 Mineral name: Anatase, syn PDF index name: Titanium Oxide Empirical formula: O2Ti Chemical formula: TiO2 Crystallographic parameters Crystal system: Tetragonal Space group: I41/amd Space group number: 141 a (?): 3.7852 b (?): 3.7852 c (?): 9.5139 Alpha (°): 90.0000 Beta (°): 90.0000 Gamma (°): 90.0000 Calculated density: 3.89 Volume of cell: 136.31 Z: 4.00 RIR: - Subfiles and Quality Subfiles: Inorganic Mineral Alloy, metal or intermetalic Common Phase Educational pattern Forensic NBS pattern Pigment/Dye Quality: Star (S) Comments Color: Violet-red White General comments: Their spectroscopic analysis showed no impurities greater than faint trace. Sample source: Sample from Johnson, Matthey Co., Ltd. Additional pattern: To replace 00-001-0657. Reason "O" quality: O assigned because unindexed. O assigned because unindexed. References Primary reference: Hahle, Meisel., 8, 279, (1968) Peak list 锐钛 No. h k l d [A] I [%] 2 1 0 3 2.43100 10.0 3 0 0 4 2.37800 20.0 4 1 1 2 2.33200 10.0 5 2 0 0 1.89200 35.0 6 1 0 5 1.69990 20.0 7 2 1 1 1.66650 20.0 8 2 1 3 1.49300 4.0 9 2 0 4 1.48080 14.0 10 1 1 6 1.36410 6.0 11 2 2 0 1.33780 6.0 12 1 0 7 1.27950 2.0 13 2 1 5 1.26490 10.0 14 3 0 1 1.25090 4.0 15 0 0 8 1.18940 2.0 16 3 0 3 1.17250 2.0 17 2 2 4 1.16640 6.0 18 3 1 2 1.16080 4.0 19 2 1 7 1.06000 2.0 20 3 0 5 1.05170 4.0 21 3 2 1 1.04360 4.0 22 1 0 9 1.01820 2.0 23 2 0 8 1.00700 2.0 24 3 2 3 0.99670 2.0 25 3 1 6 0.95550 4.0 26 4 0 0 0.94640 4.0 27 3 0 7 0.92460 2.0 28 3 2 5 0.91920 2.0 29 4 1 1 0.91380 2.0 30 2 1 9 0.89660 4.0 31 2 2 8 0.88900 2.0 32 4 1 3 0.88190 2.0 33 4 0 4 0.87930 2.0 34 4 2 0 0.84640 2.0 35 3 2 7 0.83080 2.0 36 4 1 5 0.82680 4.0 37 3 0 9 0.81020 2.0 38 4 2 4 0.79740 4.0 39 0 0 12 0.79280 2.0 Stick Pattern Name and formula Reference code: 02-0494 Mineral name: Rutile PDF index name: Titanium Oxide Empirical formula: O2Ti Chemical formula: TiO2 Crystallographic parameters Crystal system: Tetragonal Space group: P42/mnm Space group number: 136 a (?): 4.5800 b (?): 4.5800 c (?): 2.9500 Alpha (°): 90.0000 Beta (°): 90.0000 Gamma (°): 90.0000 Measured density: 4.23 Volume of cell: 61.88 Z: 2.00 RIR: - Status, subfiles and quality Status: Marked as deleted by ICDD Subfiles: Inorganic Mineral Quality: Doubtful (O) Comments Deleted by: Berry parcel of August 19, 1958. Color: Red Melting point: 516-518 Additional diffraction line(s): Plus 15 additional reflections. References Primary reference: Hendricks., 68, 195, (1928) Optical data: Unit cell: Wyckoff. Peak list No. h k l d [A] I [%] 1 1 1 0 3.24000 100.0 2 1 0 1 2.49000 70.0 3 2 0 0 2.31000 20.0 4 2.26000 30.0 5 1 1 1 2.19000 40.0 6 2 1 0 2.05000 30.0 7 2.01000 20.0 8 1.88000 40.0 9 1.78000 20.0 10 2 1 1 1.68000 100.0 11 2 2 0 1.62000 60.0 12 0 0 2 1.50000 20.0 13 1.47000 20.0 14 3 1 0 1.45000 40.0 15 3 0 1 1.36000 80.0 16 1 1 2 1.34000 70.0 17 3 1 1 1.31000 20.0 18 3 2 0 1.26000 5.0 19 2 0 2 1.24000 40.0 20 2 1 2 1.19000 20.0 21 3 2 1 1.16000 50.0 22 4 0 0 1.14000 40.0 23 2 2 2 1.10000 60.0 24 3 3 0 1.08000 50.0 25 4 1 1 1.04000 50.0 26 3 1 2 1.03000 60.0 27 4 2 0 1.02000 50.0 Stick Pattern