Materials Data on Mn3Cr3P2 by Materials Project

Abstract

Cr3Mn3P2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 2-coordinate geometry to two P atoms. There are one shorter (2.35 Å) and one longer (2.38 Å) Cr–P bond lengths. In the second Cr site, Cr is bonded in a 2-coordinate geometry to one Mn and two P atoms. The Cr–Mn bond length is 2.44 Å. Both Cr–P bond lengths are 2.36 Å. In the third Cr site, Cr is bonded in a 3-coordinate geometry to three P atoms. There are a spread of Cr–P bond distances ranging from 2.31–2.41 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Cr and three P atoms. There are a spread of Mn–P bond distances ranging from 2.26–2.34 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.34 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.32 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Cr and five Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Cr and six Mn atoms.