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Monoclinic crystal system

About: Monoclinic crystal system is a(n) research topic. Over the lifetime, 27019 publication(s) have been published within this topic receiving 442766 citation(s). The topic is also known as: monoclinic. more

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Journal ArticleDOI
Akihiko Kudo1, Keiko Omori2, Hideki Kato2Institutions (2)
Abstract: BiVO4 photocatalysts for O2 evolution, which work under visible light irradiation, were prepared by an aqueous process. The BiVO4 photocatalysts were obtained by the reaction of layered potassium vanadate powder (KV3O8 and K3V5O14) with Bi(NO3)3 for 3 days in aqueous media at room temperature. Highly crystalline monoclinic and tetragonal BiVO4 were selectively synthesized by changing the ratio of vanadium to bismuth in the starting materials. X-ray diffraction and scanning electron microscopy measurements showed that the monoclinic BiVO4 was formed via a tetragonal BiVO4 intermediate. Tetragonal BiVO4 with a 2.9 eV band gap mainly possessed an ultraviolet absorption band while monoclinic BiVO4 with a 2.4 eV band gap had a characteristic visible light absorption band in addition to the UV band. The UV bands observed in the tetragonal and monoclinic BiVO4 were assigned to the band transition from O2p to V3d whereas the visible light absorption was due to the transition from a valence band formed by Bi6s or ... more

1,628 citations

Journal ArticleDOI
Abstract: An indexing program, TREOR, mainly based on trial-and-error methods is described. The program contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries. Ten years usage has been analysed to improve the original program. For monoclinic indexing a specific short-axis test has been developed. The over-all success rate of the program has been found to be better than 90%, and considerably more for orthorhombic and higher symmetries. more

1,611 citations

Journal ArticleDOI
TL;DR: Analysis of the hydration process by solid-state NMR has clearly indicated that the trapped water molecules interact with the carboxylate groups through hydrogen bonds, but do not affect the hydroxyl species bridging the aluminum atoms. more

Abstract: Aluminum 1,4-benzenedicarboxylate Al(OH)[O2CC6H4CO2]⋅ [HO2CC6H4CO2H]0.70 or MIL-53 as (Al) has been hydrothermally synthesized by heating a mixture of aluminum nitrate, 1,4-benzenedicarboxylic acid, and water, for three days at 220 °C. Its 3 D framework is built up of infinite trans chains of corner-sharing AlO4(OH)2 octahedra. The chains are interconnected by the 1,4-benzenedicarboxylate groups, creating 1 D rhombic-shaped tunnels. Disordered 1,4-benzenedicarboxylic acid molecules are trapped inside these tunnels. Their evacuation upon heating, between 275 and 420 °C, leads to a nanoporous open-framework (MIL-53 ht (Al) or Al(OH)[O2CC6H4CO2]) with empty pores of diameter 8.5 A. This solid exhibits a Langmuir surface area of 1590(1) m2 g−1 together with a remarkable thermal stability, since it starts to decompose only at 500 °C. At room temperature, the solid reversibly absorbs water in its tunnels, causing a very large breathing effect and shrinkage of the pores. Analysis of the hydration process by solid-state NMR (1H, 13C, 27Al) has clearly indicated that the trapped water molecules interact with the carboxylate groups through hydrogen bonds, but do not affect the hydroxyl species bridging the aluminum atoms. The hydrogen bonds between water and the oxygen atoms of the framework are responsible for the contraction of the rhombic channels. The structures of the three forms have been determined by means of powder X-ray diffraction analysis. Crystal data for MIL-53 as (Al) are as follows: orthorhombic system, Pnma (no. 62), a = 17.129(2), b = 6.628(1), c = 12.182(1) A; for MIL-53 ht (Al), orthorhombic system, Imma (no. 74), a = 6.608(1), b = 16.675(3), c = 12.813(2) A; for MIL-53 lt (Al), monoclinic system, Cc (no. 9), a = 19.513(2), b = 7.612(1), c = 6.576(1) A, β = 104.24(1)°. more

1,531 citations

Journal ArticleDOI
Zhijian Wu1, Erjun Zhao1, Hongping Xiang1, Xianfeng Hao1  +2 moreInstitutions (1)
14 Aug 2007-Physical Review B
Abstract: First principles calculations were performed to investigate the structural, elastic, and electronic properties of IrN2 for various space groups: cubic Fm-3m and Pa-3, hexagonal P3(2)21, tetragonal P4(2)/mnm, orthorhombic Pmmn, Pnnm, and Pnn2, and monoclinic P2(1)/c. Our calculation indicates that the P2(1)/c phase with arsenopyrite-type structure is energetically more stable than the other phases. It is semiconducting (the remaining phases are metallic) and contains diatomic N-N with the bond distance of 1.414 A. These characters are consistent with the experimental facts that IrN2 is in lower symmetry and nonmetallic. Our conclusion is also in agreement with the recent theoretical studies that the most stable phase of IrN2 is monoclinic P2(1)/c. The calculated bulk modulus of 373 GPa is also the highest among the considered space groups. It matches the recent theoretical values of 357 GPa within 4.3% and of 402 GPa within 7.8%, but smaller than the experimental value of 428 GPa by 14.7%. Chemical bonding and potential displacive phase transitions are discussed for IrN2. For IrN3, cubic skutterudite structure (Im-3) was assumed. more

1,412 citations

Journal ArticleDOI
Jan N. Reimers1, J. R. Dahn1Institutions (1)
Abstract: Electrochemical properties of are studied as Li is deintercalated from . High precision voltage measurements and in situ x‐ray diffraction indicate a sequence of three distinct phase transitions as varies from 1 to 0.4. Two of the transitions are situated slightly above and below and are caused by an order/disorder transition of the lithium ions. The order/disorder transition is studied as a function of temperature allowing the determination of an order/disorder phase diagram. In situ x‐ray diffraction measurements facilitate a direct observation of the effects of deintercalation on the host lattice crystal structure. The other phase transition is shown to be first order (coexisting phases are observed for ) involving a significant expansion of the parameter of the hexagonal unit cell. We report the variation of the lattice constants of with and show that the phase transition to the lithium ordered phase near is accompanied by a lattice distortion to a monoclinic unit cell with , , and . Finally we report an overall phase diagram for and . more

1,391 citations

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Topic's top 5 most impactful authors

Allan H. White

57 papers, 675 citations

James Trotter

32 papers, 318 citations

Andrzej Katrusiak

29 papers, 428 citations

Ryszard Jakubas

28 papers, 610 citations

M. A. Sridhar

28 papers, 165 citations