U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ge7H18O23 by Materials Project
Abstract
Ge7H10O19(H2O)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of four water molecules and one Ge7H10O19 framework. In the Ge7H10O19 framework, there are seven inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.81–2.03 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.09 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.06 Å. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form distorted GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.24 Å. In the fifthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-627442
- 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; Ge7H18O23; Ge-H-O
- OSTI Identifier:
- 1278885
- DOI:
- https://doi.org/10.17188/1278885
Citation Formats
The Materials Project. Materials Data on Ge7H18O23 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278885.
The Materials Project. Materials Data on Ge7H18O23 by Materials Project. United States. doi:https://doi.org/10.17188/1278885
The Materials Project. 2020.
"Materials Data on Ge7H18O23 by Materials Project". United States. doi:https://doi.org/10.17188/1278885. https://www.osti.gov/servlets/purl/1278885. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1278885,
title = {Materials Data on Ge7H18O23 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge7H10O19(H2O)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of four water molecules and one Ge7H10O19 framework. In the Ge7H10O19 framework, there are seven inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.81–2.03 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.09 Å. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.06 Å. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form distorted GeO6 octahedra that share corners with three GeO4 tetrahedra and edges with three GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.24 Å. In the fifth Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ge–O bond distances ranging from 1.73–1.83 Å. In the sixth Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Ge–O bond distances ranging from 1.74–1.86 Å. In the seventh Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There is one shorter (1.76 Å) and three longer (1.77 Å) Ge–O bond length. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.36 Å) H–O bond length. 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 linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.53 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.58 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the tenth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are nineteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ge4+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Ge4+ and one H1+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fifteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the sixteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the seventeenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. In the nineteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms.},
doi = {10.17188/1278885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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