Materials Data on NaCN by Materials Project

doi:10.17188/1204480

Title: Materials Data on NaCN by Materials Project

Dataset
Other Related Research

Abstract

NaCN crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one NaCN sheet oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.51 Å) and two longer (2.83 Å) Na–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-30053

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; NaCN; C-N-Na

OSTI Identifier:: 1204480

DOI:: https://doi.org/10.17188/1204480

Citation Formats


                    The Materials Project. Materials Data on NaCN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204480.

Copy to clipboard


                    The Materials Project. Materials Data on NaCN by Materials Project.  United States.  doi:https://doi.org/10.17188/1204480

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NaCN by Materials Project".  United States.  doi:https://doi.org/10.17188/1204480.  https://www.osti.gov/servlets/purl/1204480. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1204480,

  title        = {Materials Data on NaCN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCN crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one NaCN sheet oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.51 Å) and two longer (2.83 Å) Na–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one C2+ atom.},

  doi          = {10.17188/1204480},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1204480

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on NaCN by Materials Project

Dataset The Materials Project

NaCN crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Na1+ is bonded in a distorted L-shaped geometry to four equivalent N3- atoms. There are two shorter (2.53 Å) and two longer (2.91 Å) Na–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one C2+ atom.
Materials Data on NaCN by Materials Project

Dataset The Materials Project

NaCN crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one methane molecule and one NaN sheet oriented in the (0, 0, 1) direction. In the NaN sheet, Na1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Na–N bond lengths are 2.38 Å. N3- is bonded in a square co-planar geometry to four equivalent Na1+ atoms.
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less
Materials Data on Y(CoB)2 by Materials Project

Dataset The Materials Project

YCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Y–B bond lengths are 2.89 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Co+1.50+ atoms.
Materials Data on Sr2H5Rh by Materials Project

Dataset The Materials Project

Sr2RhH5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a distorted q6 geometry to ten H atoms. There are a spread of Sr–H bond distances ranging from 2.68–2.75 Å. Rh is bonded in a square pyramidal geometry to five H atoms. There is four shorter (1.69 Å) and one longer (1.80 Å) Rh–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Sr and one Rh atom to form a mixture of corner, edge, and face-sharing HSr4Rh square pyramids. In the second Hmore »« less

Similar Records