Materials Data on MgCrF4 by Materials Project
MgCrF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.12–2.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.29 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to five F1- atoms. There are four shorter (2.02 Å) and one longer (2.60 Å) Cr–F bond lengths. In the second Cr2+ site, Cr2+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 2.02–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and one Cr2+ atom. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to two Mg2+ and two Cr2+ atoms.