The crystal structure of goldquarryite, (Cu2+,▭)(Cd,Ca)2Al3(PO4)4F2(H2O)10{(H2O),F}2, a secondary phosphate from the Gold Quarry mine, Eureka County, Nevada, USA

The crystal structure of goldquarryite, (Cu(0.70)rectangle(0.30))(Cd1.67Ca0.33)Al-3 (PO4)(4)F-2(H2O)(10) {(H2O),F}(2), triclinic, P1 a 6.787(1), b 9.082(2), c 10.113(2) Angstrom, alpha 101.40(1), beta 104.27(1), gamma 102.51(1)degrees, V 568.7(3) Angstrom(3), Z = 1, was solved by direct methods and refined to an R index of 5.2% based on 1630 observed reflections collected on a four-circle diffractometer equipped with a 1K CCD detector and MoKalpha X-radiation. The structure contains two crystallographically distinct (PO4) groups, three distinct {Al(1)O4F2}, {Al(2)O4F2} and {Al(3)O-2(H2O)(4)} octahedra, one {CdO4(H2O)(2)} octahedron and one {CuO2(H2O)(4)} octahedron where Cu = (Cu-0.70(2+) + rectangle(0.30)). The {Al(1)O4F2} and {Al(2)O4F2} octahedra share corners through common F vertices to form an [Alphi(5)] chain (phi : unspecified anion) that extends along the a direction. This chain is decorated by (PO4) tetrahedra that link to the four O atoms of each (Alphi(6)) octahedron, linking the [Alphi(5)] chain along its length to form an [Al(PO4)(2)F] chain. {CdO4(H2O)(2)} octahedra share edges to form a [CdO2(H2O)(2)] chain that also extends along a. These two types of chains link through the (PO4) tetrahedra to form a sheet of composition [AlCd(PO4)(2)F(H2O)(2)], which we designate as the A layer, in the (001) plane. The Al(3) and Cu sites are intercalated between the A layers, forming {CuO2(H2O)(4)} and {Al(3)O-2(H2O)(4)} octahedra that are isolated from each other. These two octahedra form an open layer, the B layer, in which both octahedra form linear arrays extending in the a direction. The B layer links to the A layer by sharing octahedron corners with (PO4) tetrahedra. The A and B layers alternate along the c axis to form a heteropolyhedral framework. There are interstitial channels within this framework, also extending along a, and these are filled with the H atoms of the (H2O) groups that coordinate the cations of the B layer.