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Title: Materials Data on TbInGe2O7 by Materials Project

Abstract

InTbGe2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form distorted TbO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent InO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.25–2.43 Å. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with six GeO4 tetrahedra and edges with three equivalent TbO6 pentagonal pyramids. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra, corners with three equivalent TbO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra, corners with three equivalent TbO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–56°.more » There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one In3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one In3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1217549
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; TbInGe2O7; Ge-In-O-Tb
OSTI Identifier:
1680148
DOI:
https://doi.org/10.17188/1680148

Citation Formats

The Materials Project. Materials Data on TbInGe2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680148.
The Materials Project. Materials Data on TbInGe2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1680148
The Materials Project. 2020. "Materials Data on TbInGe2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1680148. https://www.osti.gov/servlets/purl/1680148. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680148,
title = {Materials Data on TbInGe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {InTbGe2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form distorted TbO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent InO6 octahedra. There are a spread of Tb–O bond distances ranging from 2.25–2.43 Å. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with six GeO4 tetrahedra and edges with three equivalent TbO6 pentagonal pyramids. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra, corners with three equivalent TbO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent InO6 octahedra, corners with three equivalent TbO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are a spread of Ge–O bond distances ranging from 1.76–1.79 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one In3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one In3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Tb3+, one In3+, and one Ge4+ atom.},
doi = {10.17188/1680148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}