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

Title: Materials Data on CaMgGeO4 by Materials Project

Abstract

CaMgGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with four equivalent MgO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ca–O bond distances ranging from 2.31–2.49 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent CaO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Mg–O bond distances ranging from 2.13–2.19 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 56–65°. There are a spread of Ge–O bond distances ranging frommore » 1.76–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca2+, one Mg2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+, two equivalent Mg2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Mg2+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-558362
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; CaMgGeO4; Ca-Ge-Mg-O
OSTI Identifier:
1270300
DOI:
https://doi.org/10.17188/1270300

Citation Formats

The Materials Project. Materials Data on CaMgGeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270300.
The Materials Project. Materials Data on CaMgGeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1270300
The Materials Project. 2020. "Materials Data on CaMgGeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1270300. https://www.osti.gov/servlets/purl/1270300. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1270300,
title = {Materials Data on CaMgGeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMgGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with four equivalent MgO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ca–O bond distances ranging from 2.31–2.49 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent CaO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Mg–O bond distances ranging from 2.13–2.19 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 56–65°. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca2+, one Mg2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ca2+, two equivalent Mg2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Mg2+, and one Ge4+ atom.},
doi = {10.17188/1270300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}