Materials Data on Gd2As4O11 by Materials Project

Gd2As4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.82 Å. There are two inequivalent As4+ sites. In the first As4+ site, As4+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.78 Å. In the second As4+ site, As4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.78–2.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Gd3+ and one As4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and two As4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Gd3+ and two As4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As4+ atoms.