U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdH6C4NO9 by Materials Project
Abstract
GdC4H2O9NH4 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two ammonium molecules and one GdC4H2O9 sheet oriented in the (0, 1, 0) direction. In the GdC4H2O9 sheet, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.48 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Gd3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+more »
- Publication Date:
- Other Number(s):
- mp-559223
- 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-Gd-H-N-O; GdH6C4NO9; crystal structure
- OSTI Identifier:
- 1183997
- DOI:
- https://doi.org/10.17188/1183997
Citation Formats
Materials Data on GdH6C4NO9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1183997.
Materials Data on GdH6C4NO9 by Materials Project. United States. doi:https://doi.org/10.17188/1183997
2020.
"Materials Data on GdH6C4NO9 by Materials Project". United States. doi:https://doi.org/10.17188/1183997. https://www.osti.gov/servlets/purl/1183997. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1183997,
title = {Materials Data on GdH6C4NO9 by Materials Project},
abstractNote = {GdC4H2O9NH4 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two ammonium molecules and one GdC4H2O9 sheet oriented in the (0, 1, 0) direction. In the GdC4H2O9 sheet, Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.48 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Gd3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and one C3+ atom.},
doi = {10.17188/1183997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}