Materials Data on K3As2O11 by Materials Project
K3As2O11 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.70–3.36 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.55–3.24 Å. In the third K site, K is bonded in a 2-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.58–3.30 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.65–1.85 Å. In the second As site, As is bonded to four O atoms to form distorted edge-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.66–1.87 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one As atom. In the second O site, O is bonded in a 2-coordinate geometry to two K and one As atom. In the third O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a distorted L-shaped geometry to two K and two As atoms. In the fifth O site, O is bonded in a T-shaped geometry to three K atoms. In the sixth O site, O is bonded in a distorted L-shaped geometry to two K and one O atom. In the seventh O site, O is bonded in a 3-coordinate geometry to two K and two As atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. The O–O bond length is 1.25 Å. In the ninth O site, O is bonded in a single-bond geometry to one K and one As atom. In the tenth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the eleventh O site, O is bonded in a distorted T-shaped geometry to two K and one As atom.