Abstract
The crystal structure of papagoite, CaCuAlSi2O6(OH)3, monoclinic,a = 2.926 (3),b = 11.496 (3),c = 4.696 (1) A, β = 100.81 (2)°, V = 685.4 (3) A3, space groupC 2/m,Z = 4, has been refined to anR index of 3.4% for 913 observed reflections measured with MoKα X-radiation. The single unique Cu cation is surrounded by six anions in a pseudo-octahedral arrangement showing strong Jahn-Teller distortion. Edge-sharing “rutile-like” chains of pseudo-octahedrally coordinated Cu and Al extend in the Y direction, and are cross-linked into an octahedral sheet by Ca2O10 (O = unspecified ligand, O or OH) dimers. These sheets are linked by (Si4O12) rings to form a mixed tetrahedral-octahedral framework.
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