U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3(AsO4)2 by Materials Project
Abstract
Sr3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO5 square pyramids, corners with six equivalent AsO4 tetrahedra, and edges with two equivalent SrO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.51–2.56 Å. In the second Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 square pyramids that share a cornercorner with one SrO6 octahedra, corners with three equivalent AsO4 tetrahedra, an edgeedge with one SrO6 octahedra, an edgeedge with one SrO5 square pyramid, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are a spread of Sr–O bond distances ranging from 2.43–2.62 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent SrO6 octahedra, corners with three equivalent SrO5 square pyramids, and an edgeedge with one SrO5 square pyramid. The corner-sharing octahedra tilt angles range from 31–51°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are four inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-755771
- 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; Sr3(AsO4)2; As-O-Sr
- OSTI Identifier:
- 1290216
- DOI:
- https://doi.org/10.17188/1290216
Citation Formats
The Materials Project. Materials Data on Sr3(AsO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290216.
The Materials Project. Materials Data on Sr3(AsO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1290216
The Materials Project. 2020.
"Materials Data on Sr3(AsO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1290216. https://www.osti.gov/servlets/purl/1290216. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290216,
title = {Materials Data on Sr3(AsO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO5 square pyramids, corners with six equivalent AsO4 tetrahedra, and edges with two equivalent SrO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.51–2.56 Å. In the second Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 square pyramids that share a cornercorner with one SrO6 octahedra, corners with three equivalent AsO4 tetrahedra, an edgeedge with one SrO6 octahedra, an edgeedge with one SrO5 square pyramid, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are a spread of Sr–O bond distances ranging from 2.43–2.62 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent SrO6 octahedra, corners with three equivalent SrO5 square pyramids, and an edgeedge with one SrO5 square pyramid. The corner-sharing octahedra tilt angles range from 31–51°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Sr2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Sr2+ and one As5+ atom.},
doi = {10.17188/1290216},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}