Materials Data on Lu5(Si5Ir2)2 by Materials Project

doi:10.17188/1266443

Title: Materials Data on Lu5(Si5Ir2)2 by Materials Project

Dataset
Other Related Research

Abstract

Lu5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to twelve Si+3.20- atoms to form distorted LuSi12 cuboctahedra that share corners with eight equivalent IrSi5 trigonal bipyramids, edges with eight equivalent LuSi8 hexagonal bipyramids, faces with two equivalent LuSi12 cuboctahedra, and faces with four equivalent IrSi5 trigonal bipyramids. There are eight shorter (2.86 Å) and four longer (3.26 Å) Lu–Si bond lengths. In the second Lu3+ site, Lu3+ is bonded to eight Si+3.20- atoms to form distorted LuSi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent LuSi12 cuboctahedra, faces with two equivalent LuSi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Lu–Si bond distances ranging from 2.85–3.03 Å. In the third Lu3+ site, Lu3+ is bonded in a 10-coordinate geometry to ten Si+3.20- atoms. There are a spread of Lu–Si bond distances ranging from 3.16–3.25 Å. Ir+4.25+ is bonded to five Si+3.20- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent LuSi12 cuboctahedra, corners with two equivalent LuSi8 hexagonal bipyramids, corners with five equivalent IrSi5more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-542170

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; Lu5(Si5Ir2)2; Ir-Lu-Si

OSTI Identifier:: 1266443

DOI:: https://doi.org/10.17188/1266443

Citation Formats


                    The Materials Project. Materials Data on Lu5(Si5Ir2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266443.

Copy to clipboard


                    The Materials Project. Materials Data on Lu5(Si5Ir2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266443

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Lu5(Si5Ir2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266443.  https://www.osti.gov/servlets/purl/1266443. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1266443,

  title        = {Materials Data on Lu5(Si5Ir2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu5Ir4Si10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to twelve Si+3.20- atoms to form distorted LuSi12 cuboctahedra that share corners with eight equivalent IrSi5 trigonal bipyramids, edges with eight equivalent LuSi8 hexagonal bipyramids, faces with two equivalent LuSi12 cuboctahedra, and faces with four equivalent IrSi5 trigonal bipyramids. There are eight shorter (2.86 Å) and four longer (3.26 Å) Lu–Si bond lengths. In the second Lu3+ site, Lu3+ is bonded to eight Si+3.20- atoms to form distorted LuSi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent LuSi12 cuboctahedra, faces with two equivalent LuSi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Lu–Si bond distances ranging from 2.85–3.03 Å. In the third Lu3+ site, Lu3+ is bonded in a 10-coordinate geometry to ten Si+3.20- atoms. There are a spread of Lu–Si bond distances ranging from 3.16–3.25 Å. Ir+4.25+ is bonded to five Si+3.20- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent LuSi12 cuboctahedra, corners with two equivalent LuSi8 hexagonal bipyramids, corners with five equivalent IrSi5 trigonal bipyramids, a faceface with one LuSi12 cuboctahedra, and faces with two equivalent LuSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.38–2.49 Å. There are three inequivalent Si+3.20- sites. In the first Si+3.20- site, Si+3.20- is bonded in a 9-coordinate geometry to six Lu3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.35 Å. In the second Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.39 Å. In the third Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to four Lu3+, two equivalent Ir+4.25+, and two equivalent Si+3.20- atoms. Both Si–Si bond lengths are 2.75 Å.},

  doi          = {10.17188/1266443},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1266443

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Lu5(Co2Si7)2 by Materials Project

Dataset The Materials Project

Lu5(Co2Si7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Lu–Si bond distances ranging from 2.86–3.06 Å. In the second Lu3+ site, Lu3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Lu–Si bond distances ranging from 2.85–3.06 Å. In the third Lu3+ site, Lu3+ is bonded to twelve Si+1.71- atoms to form LuSi12 cuboctahedra that share corners with four equivalent LuSi12 cuboctahedra, corners withmore »« less
Materials Data on Lu5(In2Ni)2 by Materials Project

Dataset The Materials Project

Lu5Ni2In4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Lu–Ni bond lengths are 2.70 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.35 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.85 Å) and two longer (2.88 Å) Lu–Ni bond lengths. There are a spread of Lu–In bond distances rangingmore »« less
Materials Data on Lu5(TeAu)2 by Materials Project

Dataset The Materials Project

Lu5(AuTe)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four Au and two equivalent Te atoms to form LuTe2Au4 octahedra that share corners with four equivalent LuTe2Au4 octahedra, corners with twelve equivalent LuTe3Au3 pentagonal pyramids, and faces with eight equivalent LuTe3Au3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. There are two shorter (3.04 Å) and two longer (3.05 Å) Lu–Au bond lengths. Both Lu–Te bond lengths are 3.18 Å. In the second Lu site, Lu is bonded to three Aumore »« less
Materials Data on Lu5(In2Pd)2 by Materials Project

Dataset The Materials Project

Lu5(PdIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.16 Å) and four longer (3.28 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Pd and six In atoms. There are two shorter (2.90 Å) and two longer (2.93 Å) Lu–Pd bond lengths. There are a spread of Lu–In bond distances ranging from 3.28–3.40 Å. In the third Lumore »« less
Materials Data on Lu5(Ge5Ir2)2 by Materials Project

Dataset The Materials Project

Lu5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Lu–Ir bond lengths are 3.22 Å. There are eight shorter (2.94 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Ir and eight Ge atoms to form face-sharing LuGe8Ir4 cuboctahedra. All Lu–Ir bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–3.09 Å. Inmore »« less

Similar Records