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Title: Materials Data on Na3GeMo3O19 by Materials Project

Abstract

Na3Mo3GeO19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.65 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.86 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.36–2.96 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.56 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.33 Å. In the third Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.17 Å. Ge is bonded in a tetrahedral geometry tomore » four O atoms. There are a spread of Ge–O bond distances ranging from 1.78–1.81 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Mo atom. In the second O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the third O site, O is bonded in a 1-coordinate geometry to two Na and one Mo atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a 1-coordinate geometry to one Na, one Mo, and one Ge atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one Mo atom. In the seventh O site, O is bonded in a linear geometry to one Na and one Mo atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na and two Mo atoms. In the ninth O site, O is bonded in a 3-coordinate geometry to two Mo and one Ge atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one Mo atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Mo and one Ge atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Ge atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to two Na atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. In the eighteenth O site, O is bonded in a 2-coordinate geometry to two Na atoms. In the nineteenth O site, O is bonded in a single-bond geometry to one Na atom.« less

Publication Date:
Other Number(s):
mp-1204648
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; Na3GeMo3O19; Ge-Mo-Na-O
OSTI Identifier:
1677048
DOI:
https://doi.org/10.17188/1677048

Citation Formats

The Materials Project. Materials Data on Na3GeMo3O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677048.
The Materials Project. Materials Data on Na3GeMo3O19 by Materials Project. United States. doi:https://doi.org/10.17188/1677048
The Materials Project. 2020. "Materials Data on Na3GeMo3O19 by Materials Project". United States. doi:https://doi.org/10.17188/1677048. https://www.osti.gov/servlets/purl/1677048. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677048,
title = {Materials Data on Na3GeMo3O19 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Mo3GeO19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.65 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.86 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.36–2.96 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.56 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.33 Å. In the third Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.17 Å. Ge is bonded in a tetrahedral geometry to four O atoms. There are a spread of Ge–O bond distances ranging from 1.78–1.81 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Mo atom. In the second O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the third O site, O is bonded in a 1-coordinate geometry to two Na and one Mo atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a 1-coordinate geometry to one Na, one Mo, and one Ge atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one Mo atom. In the seventh O site, O is bonded in a linear geometry to one Na and one Mo atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na and two Mo atoms. In the ninth O site, O is bonded in a 3-coordinate geometry to two Mo and one Ge atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one Mo atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Mo and one Ge atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Ge atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to two Na atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. In the eighteenth O site, O is bonded in a 2-coordinate geometry to two Na atoms. In the nineteenth O site, O is bonded in a single-bond geometry to one Na atom.},
doi = {10.17188/1677048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}