Materials Data on Zn2CrN2 by Materials Project
CrZn2N2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Cr–N bond distances ranging from 1.74–1.87 Å. In the second Cr2+ site, Cr2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Cr–N bond distances ranging from 1.73–1.88 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of Zn–N bond distances ranging from 2.00–2.80 Å. In the second Zn2+ site, Zn2+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Zn–N bond distances ranging from 2.00–2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.07–2.44 Å. In the fourth Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.07–2.44 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Cr2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to one Cr2+ and five Zn2+ atoms. In the third N3- site, N3- is bonded in a 5-coordinate geometry to two Cr2+ and three Zn2+ atoms. In the fourth N3- site, N3- is bonded in a 5-coordinate geometry to two Cr2+ and three Zn2+ atoms.