Materials Data on Zr3Sc by Materials Project
Abstract
ScZr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Zr atoms to form ScZr12 cuboctahedra that share corners with six equivalent ScZr12 cuboctahedra, corners with twelve equivalent ZrZr8Sc4 cuboctahedra, edges with eighteen equivalent ZrZr8Sc4 cuboctahedra, faces with eight equivalent ScZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Sc4 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.25 Å) Sc–Zr bond lengths. Zr is bonded to four equivalent Sc and eight equivalent Zr atoms to form ZrZr8Sc4 cuboctahedra that share corners with four equivalent ScZr12 cuboctahedra, corners with fourteen equivalent ZrZr8Sc4 cuboctahedra, edges with six equivalent ScZr12 cuboctahedra, edges with twelve equivalent ZrZr8Sc4 cuboctahedra, faces with four equivalent ScZr12 cuboctahedra, and faces with sixteen equivalent ZrZr8Sc4 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.20–3.26 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1188062
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Zr3Sc; Sc-Zr
- OSTI Identifier:
- 1667261
- DOI:
- https://doi.org/10.17188/1667261
Citation Formats
The Materials Project. Materials Data on Zr3Sc by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1667261.
The Materials Project. Materials Data on Zr3Sc by Materials Project. United States. doi:https://doi.org/10.17188/1667261
The Materials Project. 2020.
"Materials Data on Zr3Sc by Materials Project". United States. doi:https://doi.org/10.17188/1667261. https://www.osti.gov/servlets/purl/1667261. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1667261,
title = {Materials Data on Zr3Sc by Materials Project},
author = {The Materials Project},
abstractNote = {ScZr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Zr atoms to form ScZr12 cuboctahedra that share corners with six equivalent ScZr12 cuboctahedra, corners with twelve equivalent ZrZr8Sc4 cuboctahedra, edges with eighteen equivalent ZrZr8Sc4 cuboctahedra, faces with eight equivalent ScZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Sc4 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.25 Å) Sc–Zr bond lengths. Zr is bonded to four equivalent Sc and eight equivalent Zr atoms to form ZrZr8Sc4 cuboctahedra that share corners with four equivalent ScZr12 cuboctahedra, corners with fourteen equivalent ZrZr8Sc4 cuboctahedra, edges with six equivalent ScZr12 cuboctahedra, edges with twelve equivalent ZrZr8Sc4 cuboctahedra, faces with four equivalent ScZr12 cuboctahedra, and faces with sixteen equivalent ZrZr8Sc4 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.20–3.26 Å.},
doi = {10.17188/1667261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}