U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrH2(CO2)2 by Materials Project
Abstract
Sr(HCOO)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.63 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C2+ atom.
- Publication Date:
- Other Number(s):
- mp-1197098
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-H-O-Sr; SrH2(CO2)2; crystal structure
- OSTI Identifier:
- 1711004
- DOI:
- https://doi.org/10.17188/1711004
Citation Formats
Materials Data on SrH2(CO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711004.
Materials Data on SrH2(CO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711004
2020.
"Materials Data on SrH2(CO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711004. https://www.osti.gov/servlets/purl/1711004. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711004,
title = {Materials Data on SrH2(CO2)2 by Materials Project},
abstractNote = {Sr(HCOO)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.63 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C2+ atom.},
doi = {10.17188/1711004},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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