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Title: Materials Data on Mg(BiO3)2 by Materials Project

Abstract

MgBi2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mg–O bond lengths are 2.11 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Bi–O bond distances ranging from 2.14–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms.

Publication Date:
Other Number(s):
mp-28447
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; Mg(BiO3)2; Bi-Mg-O
OSTI Identifier:
1202551
DOI:
https://doi.org/10.17188/1202551

Citation Formats

The Materials Project. Materials Data on Mg(BiO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202551.
The Materials Project. Materials Data on Mg(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202551
The Materials Project. 2020. "Materials Data on Mg(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202551. https://www.osti.gov/servlets/purl/1202551. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202551,
title = {Materials Data on Mg(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgBi2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mg–O bond lengths are 2.11 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Bi–O bond distances ranging from 2.14–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms.},
doi = {10.17188/1202551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}