U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(PO5)2 by Materials Project
Abstract
Mg(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are four shorter (2.01 Å) and two longer (2.63 Å) Mg–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 14–28°. There are a spread of P–O bond distances ranging from 1.49–1.70 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.58 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.39 Å. In the third O site, O is bonded in a linear geometry to one Mg and one P atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to one Mg and two O atoms. In the fifth O site, O is bonded in a bent 150 degrees geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211050
- 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; Mg(PO5)2; Mg-O-P
- OSTI Identifier:
- 1711191
- DOI:
- https://doi.org/10.17188/1711191
Citation Formats
The Materials Project. Materials Data on Mg(PO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711191.
The Materials Project. Materials Data on Mg(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711191
The Materials Project. 2020.
"Materials Data on Mg(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711191. https://www.osti.gov/servlets/purl/1711191. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711191,
title = {Materials Data on Mg(PO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg is bonded to six O atoms to form distorted MgO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are four shorter (2.01 Å) and two longer (2.63 Å) Mg–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 14–28°. There are a spread of P–O bond distances ranging from 1.49–1.70 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.58 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.39 Å. In the third O site, O is bonded in a linear geometry to one Mg and one P atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to one Mg and two O atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one P atom.},
doi = {10.17188/1711191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}