Materials Data on K2PtC4(BrN2)2 by Materials Project

doi:10.17188/1274349

Title: Materials Data on K2PtC4(BrN2)2 by Materials Project

Dataset
Other Related Research

Abstract

K2Pt(CN)4Br2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.39 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) K–Br bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- 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 K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Br1- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-568299

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; K2PtC4(BrN2)2; Br-C-K-N-Pt

OSTI Identifier:: 1274349

DOI:: https://doi.org/10.17188/1274349

Citation Formats


                    The Materials Project. Materials Data on K2PtC4(BrN2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274349.

Copy to clipboard


                    The Materials Project. Materials Data on K2PtC4(BrN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274349

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on K2PtC4(BrN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274349.  https://www.osti.gov/servlets/purl/1274349. Pub date:Wed Jul 22 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1274349,

  title        = {Materials Data on K2PtC4(BrN2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Pt(CN)4Br2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.39 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) K–Br bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- 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 K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Pt2- atom.},

  doi          = {10.17188/1274349},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1274349

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on H8C2SeS2(BrN2)2 by Materials Project

Dataset The Materials Project

C2N4H8SeS2BrBr crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two C2N4H8SeS2Br ribbons oriented in the (0, 0, 1) direction. In each C2N4H8SeS2Br ribbon, there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.32 Å. The C–S bond length is 1.77 Å. In the second C3+ site, C3+ is bonded in a distorted bent 120 degrees geometry to two N3- and one S2- atom. There is onemore »« less
Materials Data on CdH8C2S2(BrN2)2 by Materials Project

Dataset The Materials Project

CdC2H8S2(N2Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CdC2H8S2(N2Br)2 clusters. Cd2+ is bonded in a distorted tetrahedral geometry to two equivalent S2- and two Br1- atoms. Both Cd–S bond lengths are 2.58 Å. There are one shorter (2.68 Å) and one longer (2.72 Å) Cd–Br bond lengths. C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded inmore »« less
Materials Data on Rb2PtC4(BrN2)2 by Materials Project

Dataset The Materials Project

Rb2PtC4(N2Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of Rb–N bond distances ranging from 3.07–3.46 Å. Both Rb–Br bond lengths are 3.74 Å. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. All Pt–C bond lengths are 2.02 Å. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom.more »« less
Materials Data on TeC2S2(BrN2)2 by Materials Project

Dataset The Materials Project

C2Te(N2S)2(Br)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four C2Te(N2S)2 clusters. In each C2Te(N2S)2 cluster, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.29 Å) and one longer (1.31 Å) C–N bond length. The C–S bond length is 1.85 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to onemore »« less
Materials Data on TeC2Se2(BrN2)2 by Materials Project

Dataset The Materials Project

CN2CN2TeSe2BrBr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cyanamide molecules, two hydrobromic acid molecules, and two CN2TeSe2Br clusters. In each CN2TeSe2Br cluster, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one Se2- atom. The N–Semore »« less

Similar Records