Materials Data on UAsP by Materials Project

Abstract

PUAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to four equivalent As3- and five equivalent P3- atoms. All U–As bond lengths are 3.04 Å. All U–P bond lengths are 2.77 Å. As3- is bonded to four equivalent U6+ and four equivalent As3- atoms to form distorted AsU4As4 hexagonal bipyramids that share corners with four equivalent AsU4As4 hexagonal bipyramids, corners with twelve equivalent PU5 square pyramids, edges with four equivalent AsU4As4 hexagonal bipyramids, edges with four equivalent PU5 square pyramids, and faces with four equivalent AsU4As4 hexagonal bipyramids. All As–As bond lengths are 2.73 Å. P3- is bonded to five equivalent U6+ atoms to form PU5 square pyramids that share corners with twelve equivalent AsU4As4 hexagonal bipyramids, corners with four equivalent PU5 square pyramids, edges with four equivalent AsU4As4 hexagonal bipyramids, and edges with eight equivalent PU5 square pyramids.