U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mo2P2O11 by Materials Project
Abstract
(MoO2)2P2O7 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one (MoO2)2P2O7 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Mo–O bond distances ranging from 1.70–2.15 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MoO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of P–O bond distances ranging from 1.50–1.59 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.48 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221593
- 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; Mo2P2O11; Mo-O-P
- OSTI Identifier:
- 1758733
- DOI:
- https://doi.org/10.17188/1758733
Citation Formats
The Materials Project. Materials Data on Mo2P2O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758733.
The Materials Project. Materials Data on Mo2P2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1758733
The Materials Project. 2020.
"Materials Data on Mo2P2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1758733. https://www.osti.gov/servlets/purl/1758733. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758733,
title = {Materials Data on Mo2P2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {(MoO2)2P2O7 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one (MoO2)2P2O7 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Mo–O bond distances ranging from 1.70–2.15 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MoO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of P–O bond distances ranging from 1.50–1.59 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.48 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1758733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}