Materials Data on Ho5BiPd2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1742582· OSTI ID:1742582

Ho5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted HoBi2Pd4 octahedra that share corners with six equivalent HoBi2Pd4 octahedra, corners with sixteen equivalent HoBi2Pd3 trigonal bipyramids, and faces with eight equivalent HoBi2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Ho–Pd bond lengths are 3.03 Å. Both Ho–Bi bond lengths are 3.45 Å. In the second Ho site, Ho is bonded to three equivalent Pd and two equivalent Bi atoms to form distorted HoBi2Pd3 trigonal bipyramids that share corners with four equivalent HoBi2Pd4 octahedra, corners with twelve equivalent HoBi2Pd3 trigonal bipyramids, edges with seven equivalent HoBi2Pd3 trigonal bipyramids, faces with two equivalent HoBi2Pd4 octahedra, and a faceface with one HoBi2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. All Ho–Pd bond lengths are 2.99 Å. Both Ho–Bi bond lengths are 3.31 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a distorted q6 geometry to ten Ho atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1742582
• Report Number(s): mp-1212221
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Bi-Ho-Pd
Ho5BiPd2
crystal structure