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

Title: Materials Data on Na5Mn7O16 by Materials Project

Abstract

Na5Mn7O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.66–2.93 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 1.93–2.79 Å. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.05–2.78 Å. In the fourth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 1.94–2.79 Å. In the fifth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.66–2.94 Å. There are seven inequivalent Mn+3.86+ sites. In the first Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to two O2- atoms. Both Mn–O bond lengths are 1.58 Å. In the second Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometrymore » to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.53–2.36 Å. In the third Mn+3.86+ site, Mn+3.86+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.54–2.00 Å. In the fourth Mn+3.86+ site, Mn+3.86+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.55–1.99 Å. In the fifth Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.57–2.56 Å. In the sixth Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.57–2.56 Å. In the seventh Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.53–2.35 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Mn+3.86+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Mn+3.86+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two Mn+3.86+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two Mn+3.86+ atoms. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Mn+3.86+ atoms. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Mn+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms.« less

Publication Date:
Other Number(s):
mp-765607
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; Na5Mn7O16; Mn-Na-O
OSTI Identifier:
1272632
DOI:
10.17188/1272632

Citation Formats

The Materials Project. Materials Data on Na5Mn7O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272632.
The Materials Project. Materials Data on Na5Mn7O16 by Materials Project. United States. doi:10.17188/1272632.
The Materials Project. 2020. "Materials Data on Na5Mn7O16 by Materials Project". United States. doi:10.17188/1272632. https://www.osti.gov/servlets/purl/1272632. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1272632,
title = {Materials Data on Na5Mn7O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Na5Mn7O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.66–2.93 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 1.93–2.79 Å. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.05–2.78 Å. In the fourth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 1.94–2.79 Å. In the fifth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.66–2.94 Å. There are seven inequivalent Mn+3.86+ sites. In the first Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to two O2- atoms. Both Mn–O bond lengths are 1.58 Å. In the second Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.53–2.36 Å. In the third Mn+3.86+ site, Mn+3.86+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.54–2.00 Å. In the fourth Mn+3.86+ site, Mn+3.86+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.55–1.99 Å. In the fifth Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.57–2.56 Å. In the sixth Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.57–2.56 Å. In the seventh Mn+3.86+ site, Mn+3.86+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.53–2.35 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Mn+3.86+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Mn+3.86+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two Mn+3.86+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two Mn+3.86+ atoms. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Mn+3.86+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Mn+3.86+ atoms. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Mn+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Mn+3.86+ atoms. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and two Mn+3.86+ atoms.},
doi = {10.17188/1272632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Dataset:

Save / Share: