IngentaConnect 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)

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|)

_F) reflections collected using graphite-monochromated Mo-K alpha

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 O^2- anions. The Cu²⁺ phiv

₆ (

: 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⁺ phiv

₆ 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⁺ phiv

₆ 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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