The crystal structure of szenicsite, Cu3MoO4(OH)4

Author: Burns P. C.1

Source: Mineralogical Magazine, Volume 62, Number 4, 1 August 1998 , pp. 461-469(9)

Publisher: Mineralogical Society

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Abstract:

The crystal structure of szenicsite, Cu3MoO4(OH)4, orthorhombic, a = 8.5201(8), b = 12.545(1), c = 6.0794(6) Å, V = 649.8(2) Å3, space group Pnnm, Z = 4, has been solved by direct methods and refined by least-squares techniques to an agreement index (R) of 3.34% and a goodness-of-fit (S) of 1.11 for 686 unique observed (|F|) ge 4 sigmaF) reflections collected using graphite-monochromated Mo-Kalpha X-radiation and a CCD area detector. The structure contains three unique Cu2+ positions that are each coordinated by six anions in distorted octahedral arrangements; the distortions of the octahedra are due to the Jahn-Teller effect associated with a d 9 metal in an octahedral ligand-field. The single unique Mo6+ position is tetrahedrally coordinated by four O2- anions. The Cu2+phiv6 (phiv: unspecified ligand) octahedra share trans edges to form rutile-like chains, three of which join by the sharing of octahedral edges to form triple chains that are parallel to (001). The MoO4 tetrahedra are linked to either side of the triple chain of Cu2+phiv6 octahedra by the sharing of two vertices per tetrahedron, and the resulting chains are cross-linked through tetrahedral-octahedral vertex sharing to form a framework structure. The structure of szenicsite is closely related to that of antlerite, Cu3SO4(OH)4, which contains similar triple chains of edge-sharing Cu2+phiv6 octahedra.

Keywords: SZENICSITE; COPPER; OXYSALT; CRYSTAL; STRUCTURE; MOLYBDATE; CHILE

Language: English

Document Type: Research article

Affiliations: 1: Department of Civil Engineering and Geological Sciences, University of Notre Dame, Notre Dame, Indiana 46556-0767, USA

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