Materials Data on Tl2Pd(CN)4 by Materials Project

doi:10.17188/1681012

Title: Materials Data on Tl2Pd(CN)4 by Materials Project

Dataset
Other Related Research

Abstract

PdTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pd–C bond lengths are 1.99 Å. Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.91–3.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1192067

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; Tl2Pd(CN)4; C-N-Pd-Tl

OSTI Identifier:: 1681012

DOI:: https://doi.org/10.17188/1681012

Citation Formats


                    The Materials Project. Materials Data on Tl2Pd(CN)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1681012.

Copy to clipboard


                    The Materials Project. Materials Data on Tl2Pd(CN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681012

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Tl2Pd(CN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681012.  https://www.osti.gov/servlets/purl/1681012. Pub date:Fri Jan 11 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1681012,

  title        = {Materials Data on Tl2Pd(CN)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pd–C bond lengths are 1.99 Å. Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.91–3.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.},

  doi          = {10.17188/1681012},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1681012

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K2Pd(CN)4 by Materials Project

Dataset The Materials Project

K2Pd(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.83–3.34 Å. Pd2+ is bonded in a square co-planar geometry to four C2+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pd–C bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+more »« less
Materials Data on K2Cd(CN)4 by Materials Project

Dataset The Materials Project

K2Cd(CN)4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight cadmium molecules and one K(CN)2 framework. In the K(CN)2 framework, K1+ is bonded to six equivalent N3- atoms to form distorted edge-sharing KN6 octahedra. All K–N bond lengths are 2.97 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded to three equivalent K1+ and one C2+ atom to form a mixture of distorted corner and edge-sharing NK3C tetrahedra.
Materials Data on KTl(CN)4 by Materials Project

Dataset The Materials Project

KTl(CN)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of two KTl(CN)4 frameworks. K1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All K–N bond lengths are 2.90 Å. Tl1+ is bonded in a tetrahedral geometry to four equivalent C+2.50+ atoms. All Tl–C bond lengths are 2.21 Å. C+2.50+ is bonded in a linear geometry to one Tl1+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted bent 120 degrees geometry to one K1+ and one C+2.50+ atom.
Materials Data on CsB(CN)4 by Materials Project

Dataset The Materials Project

Cs(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Cs(CN)4 framework. In the Cs(CN)4 framework, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.30 Å) and four longer (3.44 Å) Cs–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one C2+ atom.
Materials Data on RbB(CN)4 by Materials Project

Dataset The Materials Project

Rb(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Rb(CN)4 framework. In the Rb(CN)4 framework, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.11 Å) and four longer (3.33 Å) Rb–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one C2+ atom.

Similar Records