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DOE OSTI2020

Materials Data on Cs(MnP)2 by Materials Project

Cs(MnP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent P+2.50- atoms. All Cs–P bond lengths are 3.66 Å. Mn2+ is bonded to four equivalent P+2.50- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P+2.50- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsMnP by Materials Project

CsMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CsMnP sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Cs–P bond lengths are 3.51 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.28 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗