U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(PO5)2 by Materials Project
Abstract
MgO6(PO2)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two PO2 clusters. In each PO2 cluster, there are two inequivalent P sites. In the first P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.53 Å) P–O bond length. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.47 Å) and two longer (2.04 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in an L-shaped geometry to two P atoms.
- Publication Date:
- Other Number(s):
- mp-1224699
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Mg(PO5)2; Mg-O-P
- OSTI Identifier:
- 1685769
- DOI:
- https://doi.org/10.17188/1685769
Citation Formats
Materials Data on Mg(PO5)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685769.
Materials Data on Mg(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685769
2019.
"Materials Data on Mg(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685769. https://www.osti.gov/servlets/purl/1685769. Pub date:Sat Jan 12 19:00:00 EST 2019
@article{osti_1685769,
title = {Materials Data on Mg(PO5)2 by Materials Project},
abstractNote = {MgO6(PO2)2 is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two PO2 clusters. In each PO2 cluster, there are two inequivalent P sites. In the first P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.53 Å) P–O bond length. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.47 Å) and two longer (2.04 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in an L-shaped geometry to two P atoms.},
doi = {10.17188/1685769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}