Materials Data on MgTi2O4 by Materials Project
Abstract
MgTi2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.19–2.62 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–65°. There are a spread of Ti–O bond distances ranging from 1.94–2.12 Å. In the second Ti3+ site, Ti3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–65°. There are a spread of Ti–O bond distances ranging from 2.00–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and three Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti3 trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometrymore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1318115
- Report Number(s):
- mvc-11138
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; MgTi2O4; Mg-O-Ti
Citation Formats
The Materials Project. Materials Data on MgTi2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318115.
The Materials Project. Materials Data on MgTi2O4 by Materials Project. United States. https://doi.org/10.17188/1318115
The Materials Project. 2020.
"Materials Data on MgTi2O4 by Materials Project". United States. https://doi.org/10.17188/1318115. https://www.osti.gov/servlets/purl/1318115.
@article{osti_1318115,
title = {Materials Data on MgTi2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTi2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.19–2.62 Å. There are two inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–65°. There are a spread of Ti–O bond distances ranging from 1.94–2.12 Å. In the second Ti3+ site, Ti3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–65°. There are a spread of Ti–O bond distances ranging from 2.00–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and three Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti3 trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three Ti3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ti3 trigonal bipyramids.},
doi = {10.17188/1318115},
url = {https://www.osti.gov/biblio/1318115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}