Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate
Abstract
The structures of Cd(OH)NO3 · H2O and Ca(OH)NO3 · H2O were determined by single-crystal X-ray diffraction using MoKα radiation (λ = 0.71073 Å) at room temperature. The plate-shaped crystals are orthorhombic. Space group Pbca (No. 61 Int. Tables) was found for both structures. Crystal data for Cd(OH)NO3 · H2O: a = 13.864(11), b = 8.708(6), c = 6.917(4) Å, V = 835.1 Å3, Z = 8, Dx = 3.331 g/cm3, Mr = 209.426, μ = 51.05 cm−1, F(000) = 784, R = 0.039, Rw = 0.042 for 1354 reflections with I > 3σ(I). Crystal data for Ca(OH)NO3 · H2O: a = 13.958(4), b = 8.817(2), c = 14.402(9) Å, V = 1772.4 Å3, Z = 16, Dx = 2.055 g/cm3, Mr = 137.106, μ = 12.77 cm−1, F(000) = 1120, R = 0.038, Rw = 0.034 for 1427 reflections with I > 3σ(I). The two closely related structures are built up of layers perpendicular to the a-axis. In Cd(OH)NO3 · H2O the Cd2+ ions are hexacoordinated by 2OH−, 2H2O and 2NO3− located at opposite corners of distorted octahedra. Edge sharing by OH− and H2O and corner sharing by one single oxygen atom of each nitrate group lead to layers with the nitrate groups standing vertical on both sides of the layers. Short hydrogen bonds (HO−⋯H2O) increase the consistence in the layers. Nitrate groups of neighbouring layers are stacked in the c direction and connect the layers by H bridges to OH− and H2O. In the analogous Ca(OH)NO3 · H2O the nitrates are slightly rotated towards one of the Ca2+ ions they connect effectuating a heptacoordination of the Ca2+ ions. The superstructure is predominantly effected by slight shifts of atoms superimposed in the c direction.
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Articles in the same Issue
- Crystal structure of a cholesterogen – cholesteryl methyl carbonate (CMC)
- An X-ray search for anharmonicity in indium phosphide
- Crystal structure and spectra of bis[p-chloro-benzoyl-di-(2-pyridyl)ketonohydrazono]uranyl
- Crystal structures of isomorphous triaquatris(3-aminobenzoato-O, O)yttrium(III) trihydrate and triaquatris(3-aminobenzoato-0,0)lanthanide(III) trihydrate
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- Structural phase transition in GaMo4Se8 and AlMo4S8 by X-ray powder diffraction
- The crystal structure of Ce4Ru3
- Allowance for Debye scattering in Wilson-plot least-squares procedures
- The (1:1) adducts of (2,4-dichlorophenoxy)acetic acid with 4-aminobenzoic acid and triphenylphosphine oxide *
- Molecular and crystal structure of a terminally-blocked Aib homotetrapeptide *
- Molecular and crystal structure of Nα-benzyloxycarbonyl-l-proline amide *
- Schwingungsspektroskopische Untersuchungen an SiO2-Clathraten
- Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain
- The crystal and molecular structure of tramazoline hydrochloride monohydrate, C13H18N3+Cl−·H2O
- Crystal structure of sphagnum acid, C11H10O5
- High resolution X-ray investigations on the supersatellite reflections of Labradorite
- The crystal structure of di(5-amino-3-thione-l,2,4-dithiazole)-tris-thiocyanatobismuthate (III), (C2H2N2S3)2Bi(SCN)3 determined at 100 K
- The structure type of ludwigite
