Materials Data on Eu2PCl by Materials Project

Abstract

Eu2PCl is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to two equivalent P3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing EuP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Eu–P bond lengths are 2.95 Å. All Eu–Cl bond lengths are 3.00 Å. In the second Eu2+ site, Eu2+ is bonded to four equivalent P3- and two equivalent Cl1- atoms to form EuP4Cl2 octahedra that share corners with six equivalent EuP4Cl2 octahedra and edges with twelve EuP2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–P bond lengths are 3.00 Å. Both Eu–Cl bond lengths are 2.95 Å. P3- is bonded to six Eu2+ atoms to form PEu6 octahedra that share corners with six equivalent PEu6 octahedra, edges with four equivalent PEu6 octahedra, and edges with eight equivalent ClEu6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to six Eu2+ atoms to form ClEu6 octahedra that share corners with six equivalent ClEu6 octahedra, edges with four equivalent ClEu6 octahedra, and edges with eight equivalent PEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.