DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrMg6Zr by Materials Project

Abstract

SrMg6Zr is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Zr atoms to form distorted SrMg10Zr2 cuboctahedra that share corners with four equivalent MgSr2Mg10 cuboctahedra, corners with six equivalent SrMg10Zr2 cuboctahedra, edges with two equivalent MgSr2Mg10 cuboctahedra, edges with four equivalent ZrSr2Mg10 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent ZrSr2Mg10 cuboctahedra, and faces with eight MgMg10Zr2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.29–3.48 Å. Both Sr–Zr bond lengths are 3.54 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Zr atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.38 Å. There are one shorter (3.11 Å) and one longer (3.49 Å) Mg–Zr bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zr atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent ZrSr2Mg10 cuboctahedra, corners with six equivalent MgMg10Zr2 cuboctahedra, edges with two equivalent ZrSr2Mg10 cuboctahedra, edges with four equivalent MgSr2Mg10 cuboctahedra, facesmore » with two equivalent ZrSr2Mg10 cuboctahedra, faces with four MgMg10Zr2 cuboctahedra, and faces with six equivalent SrMg10Zr2 cuboctahedra. There are four shorter (3.29 Å) and two longer (3.40 Å) Mg–Mg bond lengths. Both Mg–Zr bond lengths are 3.48 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Zr atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.31 Å. Both Mg–Zr bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded to two equivalent Sr and ten Mg atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent SrMg10Zr2 cuboctahedra, corners with six equivalent MgSr2Mg10 cuboctahedra, edges with two equivalent SrMg10Zr2 cuboctahedra, edges with four equivalent MgMg10Zr2 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with four MgMg10Zr2 cuboctahedra, and faces with six equivalent ZrSr2Mg10 cuboctahedra. Zr is bonded to two equivalent Sr and ten Mg atoms to form ZrSr2Mg10 cuboctahedra that share corners with four equivalent MgMg10Zr2 cuboctahedra, corners with six equivalent ZrSr2Mg10 cuboctahedra, edges with two equivalent MgMg10Zr2 cuboctahedra, edges with four equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent ZrSr2Mg10 cuboctahedra, and faces with eight MgMg10Zr2 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1022492
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrMg6Zr; Mg-Sr-Zr
OSTI Identifier:
1672859
DOI:
https://doi.org/10.17188/1672859

Citation Formats

The Materials Project. Materials Data on SrMg6Zr by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672859.
The Materials Project. Materials Data on SrMg6Zr by Materials Project. United States. doi:https://doi.org/10.17188/1672859
The Materials Project. 2017. "Materials Data on SrMg6Zr by Materials Project". United States. doi:https://doi.org/10.17188/1672859. https://www.osti.gov/servlets/purl/1672859. Pub date:Sun Apr 16 00:00:00 EDT 2017
@article{osti_1672859,
title = {Materials Data on SrMg6Zr by Materials Project},
author = {The Materials Project},
abstractNote = {SrMg6Zr is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Zr atoms to form distorted SrMg10Zr2 cuboctahedra that share corners with four equivalent MgSr2Mg10 cuboctahedra, corners with six equivalent SrMg10Zr2 cuboctahedra, edges with two equivalent MgSr2Mg10 cuboctahedra, edges with four equivalent ZrSr2Mg10 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent ZrSr2Mg10 cuboctahedra, and faces with eight MgMg10Zr2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.29–3.48 Å. Both Sr–Zr bond lengths are 3.54 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Zr atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.38 Å. There are one shorter (3.11 Å) and one longer (3.49 Å) Mg–Zr bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zr atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent ZrSr2Mg10 cuboctahedra, corners with six equivalent MgMg10Zr2 cuboctahedra, edges with two equivalent ZrSr2Mg10 cuboctahedra, edges with four equivalent MgSr2Mg10 cuboctahedra, faces with two equivalent ZrSr2Mg10 cuboctahedra, faces with four MgMg10Zr2 cuboctahedra, and faces with six equivalent SrMg10Zr2 cuboctahedra. There are four shorter (3.29 Å) and two longer (3.40 Å) Mg–Mg bond lengths. Both Mg–Zr bond lengths are 3.48 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Zr atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.31 Å. Both Mg–Zr bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded to two equivalent Sr and ten Mg atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent SrMg10Zr2 cuboctahedra, corners with six equivalent MgSr2Mg10 cuboctahedra, edges with two equivalent SrMg10Zr2 cuboctahedra, edges with four equivalent MgMg10Zr2 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with four MgMg10Zr2 cuboctahedra, and faces with six equivalent ZrSr2Mg10 cuboctahedra. Zr is bonded to two equivalent Sr and ten Mg atoms to form ZrSr2Mg10 cuboctahedra that share corners with four equivalent MgMg10Zr2 cuboctahedra, corners with six equivalent ZrSr2Mg10 cuboctahedra, edges with two equivalent MgMg10Zr2 cuboctahedra, edges with four equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent SrMg10Zr2 cuboctahedra, faces with two equivalent ZrSr2Mg10 cuboctahedra, and faces with eight MgMg10Zr2 cuboctahedra.},
doi = {10.17188/1672859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}