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Title: Materials Data on LiMg6WO8 by Materials Project

Abstract

LiMg6WO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent WO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.15 Å) and two longer (2.23 Å) Li–O bond lengths. There are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.09 Å) and four longer (2.15 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.12 Å) and four longer (2.15 Å) Mg–O bond lengths. In the third Mg2+more » site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent WO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Mg–O bond distances ranging from 2.13–2.19 Å. W3+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent WO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.15 Å) and two longer (2.19 Å) W–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five Mg2+ atoms to form OLiMg5 octahedra that share corners with six equivalent OLiMg5 octahedra and edges with twelve OMg5W octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to five Mg2+ and one W3+ atom to form OMg5W octahedra that share corners with six equivalent OMg5W octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to two equivalent Li1+, two equivalent Mg2+, and two equivalent W3+ atoms to form OLi2Mg2W2 octahedra that share corners with six OLi2Mg2W2 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to six Mg2+ atoms to form OMg6 octahedra that share corners with six OLi2Mg2W2 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth O2- site, O2- is bonded to two equivalent Li1+, two equivalent Mg2+, and two equivalent W3+ atoms to form OLi2Mg2W2 octahedra that share corners with six OMg6 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. Both O–Mg bond lengths are 2.19 Å.« less

Publication Date:
Other Number(s):
mp-1031191
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; LiMg6WO8; Li-Mg-O-W
OSTI Identifier:
1672088
DOI:
https://doi.org/10.17188/1672088

Citation Formats

The Materials Project. Materials Data on LiMg6WO8 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672088.
The Materials Project. Materials Data on LiMg6WO8 by Materials Project. United States. doi:https://doi.org/10.17188/1672088
The Materials Project. 2017. "Materials Data on LiMg6WO8 by Materials Project". United States. doi:https://doi.org/10.17188/1672088. https://www.osti.gov/servlets/purl/1672088. Pub date:Wed May 24 00:00:00 EDT 2017
@article{osti_1672088,
title = {Materials Data on LiMg6WO8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMg6WO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent WO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.15 Å) and two longer (2.23 Å) Li–O bond lengths. There are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.09 Å) and four longer (2.15 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent MgO6 octahedra, and edges with twelve MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.12 Å) and four longer (2.15 Å) Mg–O bond lengths. In the third Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent WO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Mg–O bond distances ranging from 2.13–2.19 Å. W3+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent WO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.15 Å) and two longer (2.19 Å) W–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five Mg2+ atoms to form OLiMg5 octahedra that share corners with six equivalent OLiMg5 octahedra and edges with twelve OMg5W octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to five Mg2+ and one W3+ atom to form OMg5W octahedra that share corners with six equivalent OMg5W octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to two equivalent Li1+, two equivalent Mg2+, and two equivalent W3+ atoms to form OLi2Mg2W2 octahedra that share corners with six OLi2Mg2W2 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to six Mg2+ atoms to form OMg6 octahedra that share corners with six OLi2Mg2W2 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth O2- site, O2- is bonded to two equivalent Li1+, two equivalent Mg2+, and two equivalent W3+ atoms to form OLi2Mg2W2 octahedra that share corners with six OMg6 octahedra and edges with twelve OLiMg5 octahedra. The corner-sharing octahedral tilt angles are 0°. Both O–Mg bond lengths are 2.19 Å.},
doi = {10.17188/1672088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}