Materials Data on Nd3Co29(Si2B5)2 by Materials Project

doi:10.17188/1191554

Title: Materials Data on Nd3Co29(Si2B5)2 by Materials Project

Dataset
Other Related Research

Abstract

CoNd3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Nd3Co28(B5Si2)2 framework. In the Nd3Co28(B5Si2)2 framework, there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Nd–Si bond lengths are 3.21 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Nd–Si bond lengths are 3.26 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometry to three B3- and one Si4- atom. There are two shorter (2.05 Å) and one longer (2.12 Å) Co–B bond lengths. The Co–Si bond length is 2.34 Å. In the second Co+1.28+ site, Co+1.28+ is bonded in a distorted T-shaped geometry to three B3- and one Si4- atom. There are one shorter (2.10 Å) and two longer (2.13 Å) Co–B bond lengths. The Co–Si bond length is 2.57 Å. In the third Co+1.28+ site, Co+1.28+ is bonded in a distorted single-bond geometry to one B3- and three equivalent Si4- atoms. The Co–B bond length is 1.91 Å. There are onemore »« less

Authors:: The Materials Project

Publication Date:: Tue May 09 00:00:00 EDT 2017

Other Number(s):: mp-16085

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; Nd3Co29(Si2B5)2; B-Co-Nd-Si

OSTI Identifier:: 1191554

DOI:: https://doi.org/10.17188/1191554

Citation Formats


                    The Materials Project. Materials Data on Nd3Co29(Si2B5)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1191554.

Copy to clipboard


                    The Materials Project. Materials Data on Nd3Co29(Si2B5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191554

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on Nd3Co29(Si2B5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191554.  https://www.osti.gov/servlets/purl/1191554. Pub date:Tue May 09 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1191554,

  title        = {Materials Data on Nd3Co29(Si2B5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoNd3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Nd3Co28(B5Si2)2 framework. In the Nd3Co28(B5Si2)2 framework, there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Nd–Si bond lengths are 3.21 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Nd–Si bond lengths are 3.26 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometry to three B3- and one Si4- atom. There are two shorter (2.05 Å) and one longer (2.12 Å) Co–B bond lengths. The Co–Si bond length is 2.34 Å. In the second Co+1.28+ site, Co+1.28+ is bonded in a distorted T-shaped geometry to three B3- and one Si4- atom. There are one shorter (2.10 Å) and two longer (2.13 Å) Co–B bond lengths. The Co–Si bond length is 2.57 Å. In the third Co+1.28+ site, Co+1.28+ is bonded in a distorted single-bond geometry to one B3- and three equivalent Si4- atoms. The Co–B bond length is 1.91 Å. There are one shorter (2.39 Å) and two longer (2.43 Å) Co–Si bond lengths. In the fourth Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometry to three B3- and one Si4- atom. There are a spread of Co–B bond distances ranging from 2.06–2.12 Å. The Co–Si bond length is 2.36 Å. In the fifth Co+1.28+ site, Co+1.28+ is bonded in a distorted bent 150 degrees geometry to two B3- and two equivalent Si4- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Co–B bond lengths. Both Co–Si bond lengths are 2.69 Å. In the sixth Co+1.28+ site, Co+1.28+ is bonded in a square co-planar geometry to four B3- atoms. There are a spread of Co–B bond distances ranging from 2.07–2.11 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. The B–B bond length is 2.04 Å. In the second B3- site, B3- is bonded in a 7-coordinate geometry to seven Co+1.28+ atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. The B–B bond length is 2.00 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. Si4- is bonded to three Nd3+ and nine Co+1.28+ atoms to form a mixture of distorted edge, corner, and face-sharing SiNd3Co9 cuboctahedra.},

  doi          = {10.17188/1191554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 09 00:00:00 EDT 2017},

  month        = {Tue May 09 00:00:00 EDT 2017}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1191554

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Er3Co29(Si2B5)2 by Materials Project

Dataset The Materials Project

CoEr3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Er3Co28(B5Si2)2 framework. In the Er3Co28(B5Si2)2 framework, there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Er–Si bond lengths are 3.26 Å. In the second Er3+ site, Er3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Er–Si bond lengths are 3.18 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted bent 150 degreesmore »« less
Materials Data on Ce3Co29(Si2B5)2 by Materials Project

Dataset The Materials Project

Ce3Co29Si4B10 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.24 Å. In the second Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.20 Å. There are seven inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a bent 150 degrees geometry to two B3- and two equivalent Si4- atoms. There are one shorter (2.12 Å)more »« less
Materials Data on Tb3Co29(Si2B5)2 by Materials Project

Dataset The Materials Project

CoTb3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Tb3Co28(B5Si2)2 framework. In the Tb3Co28(B5Si2)2 framework, there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Tb–Si bond lengths are 3.19 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Tb–Si bond lengths are 3.25 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometrymore »« less
Materials Data on Pr3Co29(Si2B5)2 by Materials Project

Dataset The Materials Project

CoPr3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Pr3Co28(B5Si2)2 framework. In the Pr3Co28(B5Si2)2 framework, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Pr–Si bond lengths are 3.22 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Pr–Si bond lengths are 3.26 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometrymore »« less
Materials Data on Sm3Co29(Si2B5)2 by Materials Project

Dataset The Materials Project

CoSm3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Sm3Co28(B5Si2)2 framework. In the Sm3Co28(B5Si2)2 framework, there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Sm–Si bond lengths are 3.20 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Sm–Si bond lengths are 3.25 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometrymore »« less

Similar Records