Materials Data on GdMnGe2O7 by Materials Project
Abstract
GdMnGe2O7 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.44 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.44 Å) Gd–O bond lengths. Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with eight equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. There are four shorter (1.95 Å) and two longer (2.50 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MnO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–71°. There are a spread of Ge–O bond distances ranging from 1.75–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Ge4+ atoms to form distorted corner-sharing OMn2Ge2more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191402
- 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; GdMnGe2O7; Gd-Ge-Mn-O
- OSTI Identifier:
- 1751474
- DOI:
- https://doi.org/10.17188/1751474
Citation Formats
The Materials Project. Materials Data on GdMnGe2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751474.
The Materials Project. Materials Data on GdMnGe2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1751474
The Materials Project. 2020.
"Materials Data on GdMnGe2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1751474. https://www.osti.gov/servlets/purl/1751474. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1751474,
title = {Materials Data on GdMnGe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {GdMnGe2O7 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.44 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.44 Å) Gd–O bond lengths. Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with eight equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. There are four shorter (1.95 Å) and two longer (2.50 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MnO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–71°. There are a spread of Ge–O bond distances ranging from 1.75–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Ge4+ atoms to form distorted corner-sharing OMn2Ge2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one Mn3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Gd3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one Mn3+, and one Ge4+ atom.},
doi = {10.17188/1751474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jun 04 00:00:00 EDT 2020},
month = {Thu Jun 04 00:00:00 EDT 2020}
}