Materials Data on CdH10(C2O3)4 by Materials Project
Abstract
CdH8(CO3)2(CO)2(H(CO)2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two formaldehyde molecules, two methanol with formaldehyde molecules, and one CdH8(CO3)2 cluster. In the CdH8(CO3)2 cluster, Cd2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.45 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.25 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one C+1.50+ atom. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200906
- 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; CdH10(C2O3)4; C-Cd-H-O
- OSTI Identifier:
- 1708602
- DOI:
- https://doi.org/10.17188/1708602
Citation Formats
The Materials Project. Materials Data on CdH10(C2O3)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708602.
The Materials Project. Materials Data on CdH10(C2O3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1708602
The Materials Project. 2019.
"Materials Data on CdH10(C2O3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1708602. https://www.osti.gov/servlets/purl/1708602. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708602,
title = {Materials Data on CdH10(C2O3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CdH8(CO3)2(CO)2(H(CO)2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two formaldehyde molecules, two methanol with formaldehyde molecules, and one CdH8(CO3)2 cluster. In the CdH8(CO3)2 cluster, Cd2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.45 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.25 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Cd2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cd2+ and two H1+ atoms.},
doi = {10.17188/1708602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}