Materials Data on BaCr2AsO10 by Materials Project

BaCr2AsO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.16 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share a cornercorner with one AsO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.81 Å. In the second Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share a cornercorner with one AsO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.83 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two CrO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.77 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one As atom. In the second O site, O is bonded in a distorted single-bond geometry to one Ba and one As atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Cr and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Cr and one As atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the sixth O site, O is bonded in a single-bond geometry to one Ba and one Cr atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Ba and one Cr atom. In the ninth O site, O is bonded in a single-bond geometry to one Ba and one Cr atom. In the tenth O site, O is bonded in a single-bond geometry to one Ba and one Cr atom.