Materials Data on SrH2(CO2)2 by Materials Project

doi:10.17188/1711004

Title: Materials Data on SrH2(CO2)2 by Materials Project

Dataset
Other Related Research

Abstract

Sr(HCOO)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.63 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1197098

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; SrH2(CO2)2; C-H-O-Sr

OSTI Identifier:: 1711004

DOI:: https://doi.org/10.17188/1711004

Citation Formats


                    The Materials Project. Materials Data on SrH2(CO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711004.

Copy to clipboard


                    The Materials Project. Materials Data on SrH2(CO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711004

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SrH2(CO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711004.  https://www.osti.gov/servlets/purl/1711004. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1711004,

  title        = {Materials Data on SrH2(CO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(HCOO)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.63 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C2+ atom.},

  doi          = {10.17188/1711004},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1711004

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SrH2(CO2)2 by Materials Project

Dataset The Materials Project

Sr(HCOO)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.73 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length ismore »« less
Materials Data on SrH2(CO2)2 by Materials Project

Dataset The Materials Project

Sr(HCOO)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.97 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bondmore »« less
Materials Data on SrH2(SeO3)2 by Materials Project

Dataset The Materials Project

SrH2(SeO3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrH2(SeO3)2 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.88 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom.more »« less
Materials Data on SrH2 by Materials Project

Dataset The Materials Project

SrH2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to eleven H1- atoms. There are a spread of Sr–H bond distances ranging from 2.37–2.87 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to five equivalent Sr2+ atoms to form distorted HSr5 trigonal bipyramids that share corners with twelve equivalent HSr6 octahedra, corners with eight equivalent HSr5 trigonal bipyramids, edges with six equivalent HSr5 trigonal bipyramids, and faces with six equivalent HSr6 octahedra. The corner-sharing octahedra tilt angles range from 31–59°. In the secondmore »« less
Materials Data on SrH2 by Materials Project

Dataset The Materials Project

SrH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.42–2.82 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sr2+ atoms to form HSr4 tetrahedra that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with two equivalent HSr4 tetrahedra. In the second H1- site, H1- is bonded tomore »« less

Similar Records