U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm4(GeO5)3 by Materials Project
Abstract
Sm4(GeO5)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight O atoms to form distorted SmO8 pentagonal bipyramids that share corners with two equivalent GeO4 tetrahedra and edges with three equivalent SmO8 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.31–2.88 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.91 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent SmO8 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There is two shorter (1.76 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There is four shorter (1.93 Å) and two longer (1.94 Å)more »
- Publication Date:
- Other Number(s):
- mp-1199094
- 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; Ge-O-Sm; Sm4(GeO5)3; crystal structure
- OSTI Identifier:
- 1752235
- DOI:
- https://doi.org/10.17188/1752235
Citation Formats
Materials Data on Sm4(GeO5)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752235.
Materials Data on Sm4(GeO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1752235
2020.
"Materials Data on Sm4(GeO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1752235. https://www.osti.gov/servlets/purl/1752235. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752235,
title = {Materials Data on Sm4(GeO5)3 by Materials Project},
abstractNote = {Sm4(GeO5)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight O atoms to form distorted SmO8 pentagonal bipyramids that share corners with two equivalent GeO4 tetrahedra and edges with three equivalent SmO8 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.31–2.88 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.91 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent SmO8 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. There is two shorter (1.76 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There is four shorter (1.93 Å) and two longer (1.94 Å) Ge–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Sm and one Ge atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Sm and one Ge atom. In the third O site, O is bonded to two equivalent Sm and two equivalent Ge atoms to form distorted corner-sharing OSm2Ge2 tetrahedra. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sm atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent Sm atoms. In the sixth O site, O is bonded in a rectangular see-saw-like geometry to four Sm atoms. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Sm and two Ge atoms.},
doi = {10.17188/1752235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}