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Title: Materials Data on ZrSnH4NF7 by Materials Project

Abstract

ZrSnF7NH4 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional and consists of four ammonium molecules and one ZrSnF7 framework. In the ZrSnF7 framework, Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.08–2.32 Å. Sn2+ is bonded to five F1- atoms to form distorted edge-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.14–2.44 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one Sn2+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn2+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-1203170
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZrSnH4NF7; F-H-N-Sn-Zr
OSTI Identifier:
1662750
DOI:
https://doi.org/10.17188/1662750

Citation Formats

The Materials Project. Materials Data on ZrSnH4NF7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662750.
The Materials Project. Materials Data on ZrSnH4NF7 by Materials Project. United States. doi:https://doi.org/10.17188/1662750
The Materials Project. 2019. "Materials Data on ZrSnH4NF7 by Materials Project". United States. doi:https://doi.org/10.17188/1662750. https://www.osti.gov/servlets/purl/1662750. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662750,
title = {Materials Data on ZrSnH4NF7 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSnF7NH4 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional and consists of four ammonium molecules and one ZrSnF7 framework. In the ZrSnF7 framework, Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.08–2.32 Å. Sn2+ is bonded to five F1- atoms to form distorted edge-sharing SnF5 square pyramids. There are a spread of Sn–F bond distances ranging from 2.14–2.44 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one Sn2+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn2+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1662750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}