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Title: Materials Data on BeH4NF3 by Materials Project

Abstract

BeF3NH4 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of four ammonium molecules and two BeF3 ribbons oriented in the (0, 1, 0) direction. In each BeF3 ribbon, there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.49–1.61 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.49–1.61 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometrymore » to two Be2+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1285073
Report Number(s):
mp-696961
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; BeH4NF3; Be-F-H-N

Citation Formats

The Materials Project. Materials Data on BeH4NF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285073.
The Materials Project. Materials Data on BeH4NF3 by Materials Project. United States. https://doi.org/10.17188/1285073
The Materials Project. 2020. "Materials Data on BeH4NF3 by Materials Project". United States. https://doi.org/10.17188/1285073. https://www.osti.gov/servlets/purl/1285073.
@article{osti_1285073,
title = {Materials Data on BeH4NF3 by Materials Project},
author = {The Materials Project},
abstractNote = {BeF3NH4 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of four ammonium molecules and two BeF3 ribbons oriented in the (0, 1, 0) direction. In each BeF3 ribbon, there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.49–1.61 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.49–1.61 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms.},
doi = {10.17188/1285073},
url = {https://www.osti.gov/biblio/1285073}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}