Zr(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. Zr(1) is bonded to six equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 41°. Fe(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Fe(1) atoms.
Zr(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. Zr(1) is bonded to six equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.76 Å) and four longer (2.79 Å) Zr(1)-P(1) bond lengths. Fe(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. There is one shorter (2.26 Å) and two longer (2.30 Å) Fe(1)-P(1) bond lengths. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Fe(1) atoms.