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

Title: Materials Data on MnNi7O8 by Materials Project

Abstract

MnNi7O8 is Caswellsilverite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.18 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten NiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Ni–O bond lengths are 2.13 Å. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.09 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Ni2+ atoms to form ONi6 octahedra that share corners with six equivalent ONi6 octahedra and edges with twelve OMnNi5 octahedra. The corner-sharing octahedral tilt anglesmore » are 0°. In the second O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. All O–Ni bond lengths are 2.13 Å. In the third O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (2.09 Å) and four longer (2.13 Å) O–Ni bond lengths. In the fifth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the sixth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. All O–Ni bond lengths are 2.13 Å. In the seventh O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (2.09 Å) and four longer (2.13 Å) O–Ni bond lengths. In the eighth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. The O–Ni bond length is 2.09 Å.« less

Publication Date:
Other Number(s):
mp-1221343
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; MnNi7O8; Mn-Ni-O
OSTI Identifier:
1705456
DOI:
https://doi.org/10.17188/1705456

Citation Formats

The Materials Project. Materials Data on MnNi7O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705456.
The Materials Project. Materials Data on MnNi7O8 by Materials Project. United States. doi:https://doi.org/10.17188/1705456
The Materials Project. 2020. "Materials Data on MnNi7O8 by Materials Project". United States. doi:https://doi.org/10.17188/1705456. https://www.osti.gov/servlets/purl/1705456. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705456,
title = {Materials Data on MnNi7O8 by Materials Project},
author = {The Materials Project},
abstractNote = {MnNi7O8 is Caswellsilverite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.18 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten NiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Ni–O bond lengths are 2.13 Å. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.09 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Ni2+ atoms to form ONi6 octahedra that share corners with six equivalent ONi6 octahedra and edges with twelve OMnNi5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. All O–Ni bond lengths are 2.13 Å. In the third O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (2.09 Å) and four longer (2.13 Å) O–Ni bond lengths. In the fifth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the sixth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. All O–Ni bond lengths are 2.13 Å. In the seventh O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (2.09 Å) and four longer (2.13 Å) O–Ni bond lengths. In the eighth O2- site, O2- is bonded to one Mn2+ and five Ni2+ atoms to form OMnNi5 octahedra that share corners with six OMnNi5 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°. The O–Mn bond length is 2.18 Å. The O–Ni bond length is 2.09 Å.},
doi = {10.17188/1705456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}