Materials Data on ZrNi2Sb by Materials Project

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

DOI:https://doi.org/10.17188/1206872· OSTI ID:1206872

The Materials Project

ZrNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Sb atoms. There are six shorter (2.76 Å) and two longer (2.87 Å) Zr–Ni bond lengths. All Zr–Sb bond lengths are 3.21 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Zr, one Ni, and three equivalent Sb atoms. The Ni–Ni bond length is 2.56 Å. All Ni–Sb bond lengths are 2.57 Å. Sb is bonded to six equivalent Zr and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing SbZr6Ni6 cuboctahedra.

• 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: 1206872
• Report Number(s): mp-3469
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ZrNi2Sb
Ni-Sb-Zr