Materials Data on SrCo2(AsO4)2 by Materials Project

Abstract

SrCo2(AsO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.76–2.34 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.29–2.28 Å. In the second Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–2.44 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.17–2.46 Å. In the second As5+ site, As5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of As–O bond distances ranging from 1.69–2.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and two As5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and one As5+ atom.