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Title: Materials Data on Hf3SnO8 by Materials Project

Abstract

Hf3SnO8 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six O2- atoms to form distorted HfO6 octahedra that share corners with eight HfO6 octahedra and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Hf–O bond distances ranging from 2.04–2.19 Å. In the second Hf4+ site, Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent SnO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Hf–O bond distances ranging from 2.04–2.18 Å. In the third Hf4+ site, Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent SnO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Hf–O bond distances ranging from 2.06–2.17 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that sharemore » corners with eight HfO6 octahedra and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hf4+ and one Sn4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hf4+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hf4+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Hf4+ and one Sn4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-761842
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; Hf3SnO8; Hf-O-Sn
OSTI Identifier:
1292317
DOI:
https://doi.org/10.17188/1292317

Citation Formats

The Materials Project. Materials Data on Hf3SnO8 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1292317.
The Materials Project. Materials Data on Hf3SnO8 by Materials Project. United States. doi:https://doi.org/10.17188/1292317
The Materials Project. 2017. "Materials Data on Hf3SnO8 by Materials Project". United States. doi:https://doi.org/10.17188/1292317. https://www.osti.gov/servlets/purl/1292317. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1292317,
title = {Materials Data on Hf3SnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3SnO8 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six O2- atoms to form distorted HfO6 octahedra that share corners with eight HfO6 octahedra and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Hf–O bond distances ranging from 2.04–2.19 Å. In the second Hf4+ site, Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent SnO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Hf–O bond distances ranging from 2.04–2.18 Å. In the third Hf4+ site, Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent SnO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Hf–O bond distances ranging from 2.06–2.17 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with eight HfO6 octahedra and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hf4+ and one Sn4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hf4+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hf4+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Hf4+ and one Sn4+ atom.},
doi = {10.17188/1292317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}