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Materials Data on UAsP by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on U2AsP by Materials Project

U2AsP is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to four equivalent As3- and two equivalent P3- atoms to form a mixture of edge and corner-sharing UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.84 Å. Both U–P bond lengths are 2.84 Å. In the second U3+ site, U3+ is bonded to two equivalent As3- and four equivalent P3- atoms to form UAs2P4 octahedra that share corners with six equivalent UAs2P4 octahedra and edges with twelve UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–As bond lengths are 2.84 Å. All U–P bond lengths are 2.84 Å. As3- is bonded to six U3+ atoms to form AsU6 octahedra that share corners with six equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight equivalent PU6 octahedra. The corner-sharing octahedral tilt angles are 0°. P3- is bonded to six U3+ atoms to form PU6 octahedra that share corners with six equivalent PU6 octahedra, edges with four equivalent PU6 octahedra, and edges with eight equivalent AsU6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗