Materials Data on Ho2NiAs2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1312712· OSTI ID:1312712

The Materials Project

Ho2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Ho–Ni bond lengths are 3.02 Å. There are three shorter (2.89 Å) and three longer (3.02 Å) Ho–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Ho atoms to form edge-sharing AsHo6 octahedra.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1312712
• Report Number(s): mp-8787
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ho2NiAs2
As-Ho-Ni