Materials Data on SbHC3(NCl3)3 by Materials Project

doi:10.17188/1285979

Title: Materials Data on SbHC3(NCl3)3 by Materials Project

Dataset
Other Related Research

Abstract

C3H(NCl)3SbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl11997375 molecules and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.48 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-705514

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; SbHC3(NCl3)3; C-Cl-H-N-Sb

OSTI Identifier:: 1285979

DOI:: https://doi.org/10.17188/1285979

Citation Formats


                    The Materials Project. Materials Data on SbHC3(NCl3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285979.

Copy to clipboard


                    The Materials Project. Materials Data on SbHC3(NCl3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285979

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SbHC3(NCl3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285979.  https://www.osti.gov/servlets/purl/1285979. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1285979,

  title        = {Materials Data on SbHC3(NCl3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C3H(NCl)3SbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl11997375 molecules and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.48 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1285979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1285979

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sb2H30C9(NCl3)3 by Materials Project

Dataset The Materials Project

((CH3)3NH)3Sb2Cl9 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of six trimethylazanium molecules and one Sb2Cl9 sheet oriented in the (1, 0, 0) direction. In the Sb2Cl9 sheet, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six Cl1- atoms to form distorted corner-sharing SbCl6 octahedra. The corner-sharing octahedra tilt angles range from 17–23°. There are a spread of Sb–Cl bond distances ranging from 2.43–3.28 Å. In the second Sb site, Sb is bonded to six Cl1- atoms to form distorted corner-sharing SbCl6 octahedra.more »« less
Materials Data on AlP3(NCl3)3 by Materials Project

Dataset The Materials Project

AlP3(NCl3)3 is beta Np structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of four AlP3(NCl3)3 clusters. In two of the AlP3(NCl3)3 clusters, Al3+ is bonded to one N3- and three Cl1- atoms to form AlNCl3 tetrahedra that share corners with two equivalent PN2Cl2 tetrahedra. The Al–N bond length is 2.02 Å. There are one shorter (2.13 Å) and two longer (2.14 Å) Al–Cl bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two equivalent N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. Bothmore »« less
Materials Data on GaP3(NCl3)3 by Materials Project

Dataset The Materials Project

GaP3(NCl3)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight GaP3(NCl3)3 clusters. In four of the GaP3(NCl3)3 clusters, Ga3+ is bonded to one N3- and three Cl1- atoms to form GaNCl3 tetrahedra that share corners with two PN2Cl2 tetrahedra. The Ga–N bond length is 2.14 Å. All Ga–Cl bond lengths are 2.17 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two N3- and two Cl1- atoms to form corner-sharing PN2Cl2 tetrahedra. There is one shorter (1.59 Å) and one longer (1.60 Å) P–N bond length. Theremore »« less
Materials Data on Te2S4(NCl3)3 by Materials Project

Dataset The Materials Project

N3S4Te2Cl9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two N3S4 clusters and one Te2Cl9 ribbon oriented in the (0, -1, 1) direction. In each N3S4 cluster, there are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.56 Å. In the second N+2.33+ site, N+2.33+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.57 Å. In the third N+2.33+ site, N+2.33+ is bonded in a bentmore »« less
Materials Data on Sb2H24C6(NCl3)3 by Materials Project

Dataset The Materials Project

((CH3)2NH2)3SbCl5SbCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of six dimethylazanium molecules, two SbCl4 clusters, and two SbCl5 clusters. In each SbCl4 cluster, Sb3- is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.43–2.67 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the third Cl1-more »« less

Similar Records