DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1191402
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2020},
month = {6}
}