Search Navigation Menu
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scientific Data

Title: Materials Data on Mn3(AgO2)4 by Materials Project

Abstract

Mn3(AgO2)4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.02 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.01 Å. In the third Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.01 Å. In the fourth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.01 Å. In the fifth Mn4+ site,more » Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.03 Å. In the sixth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.06 Å. In the seventh Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.03 Å. In the eighth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.04 Å. In the ninth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.00 Å. In the tenth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.02 Å. In the eleventh Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.10 Å. In the twelfth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.00 Å. There are sixteen inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.30 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.87 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.51 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.09 Å) and one longer (2.15 Å) Ag–O bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.51–2.71 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.57 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.11–2.88 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.55 Å. In the tenth Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–61°. There are a spread of Ag–O bond distances ranging from 2.31–2.62 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.14–2.42 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.32 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.22–2.65 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.70 Å. In the fifteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.19 Å) and one longer (2.25 Å) Ag–O bond lengths. In the sixteenth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.58 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn4+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mn4+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded to two Mn4+ and two Ag1+ atoms to form distorted corner-sharing OMn2Ag2 tetrahedra. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the sixteenth O2- site, O2- is bonded to two Mn4+ and two Ag1+ atoms to form distorted corner-sharing OMn2Ag2 tetrahedra. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Mn4+ and two Ag1+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted water-like geometry to two Mn4+ and two Ag1+ atoms. In the twentieth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn4+ and two Ag1+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn4+ and one Ag1+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn4+ and one Ag1+ atom. In the thirtieth O2- site, O2- is bonded in a distorted water-like geometry to two Mn4+ and two Ag1+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted tetrahedral geometry to two Mn4+ and two Ag1+ atoms. In the thirty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-705778
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; Mn3(AgO2)4; Ag-Mn-O
OSTI Identifier:
1286061
DOI:
https://doi.org/10.17188/1286061

Citation Formats

The Materials Project. Materials Data on Mn3(AgO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286061.
Copy to clipboard
The Materials Project. Materials Data on Mn3(AgO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1286061
Copy to clipboard
The Materials Project. 2020. "Materials Data on Mn3(AgO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1286061. https://www.osti.gov/servlets/purl/1286061. Pub date:Wed Apr 29 00:00:00 EDT 2020
Copy to clipboard
@article{osti_1286061,
title = {Materials Data on Mn3(AgO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3(AgO2)4 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.02 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.01 Å. In the third Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.01 Å. In the fourth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.01 Å. In the fifth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.03 Å. In the sixth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.06 Å. In the seventh Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.03 Å. In the eighth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.04 Å. In the ninth Mn4+ site, Mn4+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.00 Å. In the tenth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.02 Å. In the eleventh Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.10 Å. In the twelfth Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one AgO4 trigonal pyramid and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–2.00 Å. There are sixteen inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.30 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.87 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.51 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.09 Å) and one longer (2.15 Å) Ag–O bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.51–2.71 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.57 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.11–2.88 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.55 Å. In the tenth Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–61°. There are a spread of Ag–O bond distances ranging from 2.31–2.62 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.14–2.42 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.32 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.22–2.65 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.70 Å. In the fifteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.19 Å) and one longer (2.25 Å) Ag–O bond lengths. In the sixteenth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.58 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn4+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Mn4+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded to two Mn4+ and two Ag1+ atoms to form distorted corner-sharing OMn2Ag2 tetrahedra. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the sixteenth O2- site, O2- is bonded to two Mn4+ and two Ag1+ atoms to form distorted corner-sharing OMn2Ag2 tetrahedra. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Mn4+ and two Ag1+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted water-like geometry to two Mn4+ and two Ag1+ atoms. In the twentieth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn4+ and two Ag1+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to three Mn4+ and one Ag1+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and three Ag1+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn4+ and one Ag1+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn4+ and one Ag1+ atom. In the thirtieth O2- site, O2- is bonded in a distorted water-like geometry to two Mn4+ and two Ag1+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted tetrahedral geometry to two Mn4+ and two Ag1+ atoms. In the thirty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn4+ and two Ag1+ atoms.},
doi = {10.17188/1286061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1286061
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: