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Title: Materials Data on Y2Mg3(GeO4)3 by Materials Project

Abstract

Mg3Y2Ge3O12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.12 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.49 Å) Mg–O bond lengths. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.45 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Ge–O bond lengths are 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is two shorter (1.76 Å) and two longer (1.79 Å) Ge–O bond length. Theremore » are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Mg2+, one Y3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Y3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mg2+, one Y3+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1216309
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; Y2Mg3(GeO4)3; Ge-Mg-O-Y
OSTI Identifier:
1744392
DOI:
https://doi.org/10.17188/1744392

Citation Formats

The Materials Project. Materials Data on Y2Mg3(GeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744392.
The Materials Project. Materials Data on Y2Mg3(GeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1744392
The Materials Project. 2020. "Materials Data on Y2Mg3(GeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1744392. https://www.osti.gov/servlets/purl/1744392. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744392,
title = {Materials Data on Y2Mg3(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Y2Ge3O12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.12 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.49 Å) Mg–O bond lengths. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.45 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Ge–O bond lengths are 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is two shorter (1.76 Å) and two longer (1.79 Å) Ge–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Mg2+, one Y3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Y3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mg2+, one Y3+, and one Ge4+ atom.},
doi = {10.17188/1744392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}