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

Title: Materials Data on Nb2Ge2O7 by Materials Project

Abstract

Nb2Ge2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.84–2.40 Å. In the second Nb3+ site, Nb3+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Nb–O bond distances ranging from 1.91–2.18 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.88 Å) and two longer (2.26 Å) Ge–O bond lengths. In the second Ge4+ site, Ge4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 2.01–2.31 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb3+ atoms. In the third O2- site, O2- is bonded in amore » distorted see-saw-like geometry to two Nb3+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Nb3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Nb3+ and two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nb3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Nb3+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-754857
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; Nb2Ge2O7; Ge-Nb-O
OSTI Identifier:
1289609
DOI:
https://doi.org/10.17188/1289609

Citation Formats

The Materials Project. Materials Data on Nb2Ge2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289609.
The Materials Project. Materials Data on Nb2Ge2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289609
The Materials Project. 2020. "Materials Data on Nb2Ge2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289609. https://www.osti.gov/servlets/purl/1289609. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289609,
title = {Materials Data on Nb2Ge2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2Ge2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.84–2.40 Å. In the second Nb3+ site, Nb3+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Nb–O bond distances ranging from 1.91–2.18 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.88 Å) and two longer (2.26 Å) Ge–O bond lengths. In the second Ge4+ site, Ge4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 2.01–2.31 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb3+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two Nb3+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Nb3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Nb3+ and two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nb3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Nb3+ and one Ge4+ atom.},
doi = {10.17188/1289609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}