Materials Data on NiAgF3 by Materials Project

doi:10.17188/1317332

Title: Materials Data on NiAgF3 by Materials Project

Dataset
Other Related Research

Abstract

AgNiF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.02 Å) and four longer (2.05 Å) Ni–F bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.53–2.65 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent Ni2+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ni2+ and two equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-998429

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; NiAgF3; Ag-F-Ni

OSTI Identifier:: 1317332

DOI:: https://doi.org/10.17188/1317332

Citation Formats


                    The Materials Project. Materials Data on NiAgF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317332.

Copy to clipboard


                    The Materials Project. Materials Data on NiAgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317332

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NiAgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317332.  https://www.osti.gov/servlets/purl/1317332. Pub date:Mon Aug 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1317332,

  title        = {Materials Data on NiAgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgNiF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.02 Å) and four longer (2.05 Å) Ni–F bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.53–2.65 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent Ni2+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ni2+ and two equivalent Ag1+ atoms.},

  doi          = {10.17188/1317332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1317332

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on NiAgF3 by Materials Project

Dataset The Materials Project

AgNiF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Ni–F bond lengths are 2.00 Å. Ag1+ is bonded to twelve F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent NiF6 octahedra. There are a spread of Ag–F bond distances ranging frommore »« less
Materials Data on NiAgF3 by Materials Project

Dataset The Materials Project

AgNiF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one raney alloy molecule and one AgF3 framework. In the AgF3 framework, Ag1+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.17 Å. F1- is bonded in a linear geometry to two equivalent Ag1+ atoms.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records