Materials Data on K2Be2Zn(O3F4)2 by Materials Project

Abstract

K2Be2Zn(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to two O and six F atoms. There are one shorter (2.88 Å) and one longer (3.11 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.64–2.87 Å. Be is bonded in a tetrahedral geometry to four F atoms. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. Zn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.93–2.23 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Zn atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Zn atom. In the third O site, O is bonded in a single-bond geometry to one Zn atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent K and one Be atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one Be atom. In the third F site, F is bonded in a distorted single-bond geometry to two equivalent K and one Be atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one K and one Be atom.