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DOE OSTI2020

Materials Data on Mn2P by Materials Project

Mn2P crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.30 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.44 Å) and four longer (2.47 Å) Mn–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U(Mn2P)2 by Materials Project

UMn4P2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. U is bonded to six equivalent P atoms to form a mixture of distorted edge and corner-sharing UP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.80 Å) and four longer (2.82 Å) U–P bond lengths. Mn is bonded in a 3-coordinate geometry to three equivalent P atoms. There are one shorter (2.29 Å) and two longer (2.33 Å) Mn–P bond lengths. P is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗