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Title: Materials Data on HoInGe2O7 by Materials Project

Abstract

HoInGe2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form distorted HoO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent InO6 pentagonal pyramids. There are a spread of Ho–O bond distances ranging from 2.22–2.38 Å. In3+ is bonded to six O2- atoms to form distorted InO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent HoO6 pentagonal pyramids. There are a spread of In–O bond distances ranging from 2.18–2.26 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 HoO6 pentagonal pyramids, corners with three equivalent InO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. 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 HoO6 pentagonal pyramids, corners with three equivalent InO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Ge–Omore » bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+, one In3+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1224322
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; HoInGe2O7; Ge-Ho-In-O
OSTI Identifier:
1685941
DOI:
https://doi.org/10.17188/1685941

Citation Formats

The Materials Project. Materials Data on HoInGe2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685941.
The Materials Project. Materials Data on HoInGe2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1685941
The Materials Project. 2020. "Materials Data on HoInGe2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1685941. https://www.osti.gov/servlets/purl/1685941. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685941,
title = {Materials Data on HoInGe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {HoInGe2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form distorted HoO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent InO6 pentagonal pyramids. There are a spread of Ho–O bond distances ranging from 2.22–2.38 Å. In3+ is bonded to six O2- atoms to form distorted InO6 pentagonal pyramids that share corners with six GeO4 tetrahedra and edges with three equivalent HoO6 pentagonal pyramids. There are a spread of In–O bond distances ranging from 2.18–2.26 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 HoO6 pentagonal pyramids, corners with three equivalent InO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. 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 HoO6 pentagonal pyramids, corners with three equivalent InO6 pentagonal pyramids, and a cornercorner with one GeO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Ge–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one In3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+, one In3+, and one Ge4+ atom.},
doi = {10.17188/1685941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}