Jared P. Smit

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The vibrational spectrum of Mg2.5VMoO8 obtained by quantum mechanical simulation is compared with the experimentally observed Raman spectrum. This simulation suggests that the observed band at 1016 cm(-1) is attributed to the Mo=O-Mg stretching from two-coordinate oxygen atoms that are adjacent to Mg2+ cation vacancies. Extended X-ray absorption fine(More)
Low-temperature barium metaborate-BaB 2 O 4 has been grown using a LiBa 2 B 5 O 10-based solvent in a four-mirror optical floating zone furnace with a traveling solvent zone configuration. The-BaB 2 O 4 rods grown are composed of several different crystal domains, ranging from 100 µm to 1 mm in diameter, and lithium, a component of the flux, was present(More)
  • R B Mcclurg, J P Tech Smit, Europe, Richard B Mcclurg, Jared P Smit
  • 2013
Indexing is the process of determining the size, shape and symmetry of the crystallographic unit cell for a crystalline component responsible for a set of peaks in an X-ray powder-diffraction (XRPD) pattern. The authors discuss the valuable information that can be obtained from indexing and its applications in routine screening and analysis of solid forms.(More)
In the title compound, 2C(17)H(18)N(2)O(6)·C(4)H(4)N(2) [systematic name: 3,5-dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)-1,4-di-hydro-pyridine-3,5-dicarboxyl-ate-pyrazine (2/1)], the complete pyrazine molecule is generated by crystallographic inversion symmetry. The center of the pyrazine ring lies on an inversion center. The nifedipine mol-ecules are linked(More)
Pb2Cu3B4O11 crystallizes in the monoclinic space group P2/n (No. 13) with a = 6.8016(15) A, b = 4.7123(10) A, c = 14.614(3) A, beta = 97.089(3) degrees, and Z = 2. The crystal structure consists of infinite [Cu3O8]10- zigzag chains of alternating dimers and monomers. The magnetic susceptibility and specific heat capacity show spin-gap and Curie-Weiss(More)
Single crystals of Li(6)CuB(4)O(10) have been synthesized, and its crystal structure has been determined. Li(6)CuB(4)O(10) crystallizes in the non-centrosymmetric triclinic space group P1 (No. 1). The structure consists of isolated [CuB(4)O(10)](6)(-) polyanions that are bridged by six LiO(4) tetrahedra. Li(6)CuB(4)O(10) is a congruently melting compound.(More)
Mg(2.56)V(1.12)W(0.88)O(8) crystals were grown from a MgO/V(2)O(5)/WO(3) melt. X-ray single-crystal diffraction studies revealed that it is orthorhombic with space group Pnma, a = 5.0658(5) A, b = 10.333(1) A, c = 17.421(2) A, Z = 6, and is isostructural with Mg(2.5)VMoO(8). Raman spectra are reported, and the assignment of the Raman bands is made by(More)
A solid solution was found to exist in the quaternary Li(2)O-MgO-V(2)O(5)-MoO(3) system between the two phases Mg(2.5)VMoO(8) and Li(2)Mg(2)(MoO(4))(3). Both Mg(2.5)VMoO(8) and Li(2)Mg(2)(MoO(4))(3) are isostructural with the mineral lyonsite, and substitution according to the formula square(1/4-x/6)Li(4x/3)Mg(15/4-7x/6)V(3/2-x)Mo(3/2+x)O(12) (0 < or = x <(More)
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