Materials Data on Bi2Pt3Se2 by Materials Project
Pt3Bi2Se2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Pt+0.67- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted edge, corner, and face-sharing PtBi4Se2 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are two shorter (2.84 Å) and two longer (3.15 Å) Pt–Bi bond lengths. Both Pt–Se bond lengths are 2.47 Å. Bi3+ is bonded in a 7-coordinate geometry to six equivalent Pt+0.67- and one Se2- atom. The Bi–Se bond length is 3.51 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Pt+0.67- and one Bi3+ atom.
36 MATERIALS SCIENCE↗