Materials Data on CdH16C4(NCl2)2 by Materials Project

doi:10.17188/1268369

Title: Materials Data on CdH16C4(NCl2)2 by Materials Project

Dataset
Other Related Research

Abstract

(C2H5NH3)2CdCl4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight methane molecules; eight methylammonium molecules; and two CdCl4 sheets oriented in the (0, 0, 1) direction. In each CdCl4 sheet, Cd2+ is bonded to six Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Cd–Cl bond distances ranging from 2.60–2.74 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 30 00:00:00 EDT 2020

Other Number(s):: mp-568812

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; CdH16C4(NCl2)2; C-Cd-Cl-H-N

OSTI Identifier:: 1268369

DOI:: https://doi.org/10.17188/1268369

Citation Formats


                    The Materials Project. Materials Data on CdH16C4(NCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268369.

Copy to clipboard


                    The Materials Project. Materials Data on CdH16C4(NCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268369

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CdH16C4(NCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268369.  https://www.osti.gov/servlets/purl/1268369. Pub date:Sat May 30 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1268369,

  title        = {Materials Data on CdH16C4(NCl2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(C2H5NH3)2CdCl4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight methane molecules; eight methylammonium molecules; and two CdCl4 sheets oriented in the (0, 0, 1) direction. In each CdCl4 sheet, Cd2+ is bonded to six Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Cd–Cl bond distances ranging from 2.60–2.74 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cd2+ atoms.},

  doi          = {10.17188/1268369},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 30 00:00:00 EDT 2020},

  month        = {Sat May 30 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1268369

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on HgH4C4(NCl2)2 by Materials Project

Dataset The Materials Project

HgCl2(HC2N)2(HCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight aziridine molecules, eight hydrochloric acid molecules, and four mercuric chloride molecules.
Materials Data on HgH2C6(NCl2)2 by Materials Project

Dataset The Materials Project

HgCl2(HC2N)2(CCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight aziridine molecules, eight chloromethane molecules, and four mercuric chloride molecules.
Materials Data on CoH16C4(NCl2)2 by Materials Project

Dataset The Materials Project

(C2H5NH3)2CoCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dimethylazanium molecules and four CoCl4 clusters. In each CoCl4 cluster, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Co–Cl bond distances ranging from 2.25–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the third Cl1- site, Cl1- is bondedmore »« less
Materials Data on H24PdC8(NCl2)2 by Materials Project

Dataset The Materials Project

PdCl4(N(CH3)4)2 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of two ac1l8io8 molecules and four tetramethylammonium molecules.
Materials Data on MnH16C4(NCl2)2 by Materials Project

Dataset The Materials Project

(C2H5NH3)2MnCl4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight methane molecules; eight methylammonium molecules; and two MnCl4 sheets oriented in the (0, 0, 1) direction. In each MnCl4 sheet, Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Mn–Cl bond distances ranging from 2.48–2.64 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mn2+ atom. In the second Cl1- site, Cl1- is bonded in a distortedmore »« less

Similar Records