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Title: Materials Data on Tb2Ge(BO4)2 by Materials Project

Abstract

Tb2GeB2O8 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.53 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one B3+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-1204495
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; Tb2Ge(BO4)2; B-Ge-O-Tb
OSTI Identifier:
1694791
DOI:
https://doi.org/10.17188/1694791

Citation Formats

The Materials Project. Materials Data on Tb2Ge(BO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694791.
The Materials Project. Materials Data on Tb2Ge(BO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694791
The Materials Project. 2020. "Materials Data on Tb2Ge(BO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694791. https://www.osti.gov/servlets/purl/1694791. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1694791,
title = {Materials Data on Tb2Ge(BO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2GeB2O8 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.53 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one B3+, and one Ge4+ atom.},
doi = {10.17188/1694791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}