U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Be(H2N)2 by Materials Project
Abstract
Be(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Be(NH2)2 frameworks. Be2+ is bonded to four N3- atoms to form corner-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.74–1.79 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Be2+ and two H1+ atoms to form corner-sharing NBe2H2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded to two equivalent Be2+ and two equivalent H1+ atoms to form corner-sharing NBe2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded to two equivalent Be2+ and two equivalent H1+ atoms to form distorted corner-sharing NBe2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-28018
- 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; Be(H2N)2; Be-H-N
- OSTI Identifier:
- 1202153
- DOI:
- https://doi.org/10.17188/1202153
Citation Formats
The Materials Project. Materials Data on Be(H2N)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202153.
The Materials Project. Materials Data on Be(H2N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202153
The Materials Project. 2020.
"Materials Data on Be(H2N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202153. https://www.osti.gov/servlets/purl/1202153. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1202153,
title = {Materials Data on Be(H2N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Be(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Be(NH2)2 frameworks. Be2+ is bonded to four N3- atoms to form corner-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.74–1.79 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Be2+ and two H1+ atoms to form corner-sharing NBe2H2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded to two equivalent Be2+ and two equivalent H1+ atoms to form corner-sharing NBe2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded to two equivalent Be2+ and two equivalent H1+ atoms to form distorted corner-sharing NBe2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1202153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 29 00:00:00 EDT 2020},
month = {Fri May 29 00:00:00 EDT 2020}
}