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Title: Materials Data on KEu(GeO3)2 by Materials Project

Abstract

KEuGe2O6 is Esseneite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.31 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.76 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six GeO4 tetrahedra and an edgeedge with one EuO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.30–2.44 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–59°. There aremore » a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ge–O bond distances ranging from 1.73–1.85 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Eu3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Eu3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Eu3+, and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Eu3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two Eu3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Eu3+, and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Ge4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1097997
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; KEu(GeO3)2; Eu-Ge-K-O
OSTI Identifier:
1725519
DOI:
https://doi.org/10.17188/1725519

Citation Formats

The Materials Project. Materials Data on KEu(GeO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725519.
The Materials Project. Materials Data on KEu(GeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1725519
The Materials Project. 2019. "Materials Data on KEu(GeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1725519. https://www.osti.gov/servlets/purl/1725519. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1725519,
title = {Materials Data on KEu(GeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KEuGe2O6 is Esseneite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.31 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.76 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six GeO4 tetrahedra and an edgeedge with one EuO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.30–2.44 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ge–O bond distances ranging from 1.73–1.85 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent EuO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Eu3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Eu3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Eu3+, and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one Eu3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two Eu3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Eu3+, and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Ge4+ atoms.},
doi = {10.17188/1725519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}