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The crystal structure of bechererite from the Tonopah-Belmont mine, Arizona, was reinvestigated using a single-crystal X-ray diffractometer (MoKα radiation) equipped with a CCD area detector. The structure was refined in space group P3 (a = 8.319(2), c = 7.377(1) Å ) with 1247 unique reflections up to (sinθ)/λ= 0.65 leading to R1 = 2.7%, wR2 = 6.4%. In agreement with the previously reported centric structure (P ), bechererite P3̅ is composed of (001) brucite-like sheets formed by edge-sharing (Zn,Cu)O 6  octahedra and 1⁄7 ordered octahedral vacancies. The layers are connected parallel to c by ditetrahedral (Zn,Cu) 2 (OH) 7  units. Due to the attractive force of a weak hydrogen bond, the bridging O atom of the ditetrahedral unit is displaced from the threefold axis. A characteristic feature of the structure is isolated tetrahedra, which connect only with one apex to the octahedral sheet. The acentric structure (P3) reveals ordering between SiO(OH)3 and SO 4  tetrahedra yielding characteristic distortions of the neighboring (Zn,Cu)O 6  octahedra caused by bondvalence requirements of the shared O atoms. The [SiO(OH) 3 ] 1-  tetrahedron is only 70(1)% occupied and is partly substituted by tetrahedral [O 4 H 7 ] 1-  clusters. The existence of H 2 O molecules in the [O 4 H 7 ] 1-  cluster is supported by FTIR spectroscopy.

Acentric structure (P3) of bechererite, Zn 7 Cu(OH) 13 [SiO(OH) 3 SO 4 ]