Materials Data on SrCd(IO2)4 by Materials Project

doi:10.17188/1751129

Title: Materials Data on SrCd(IO2)4 by Materials Project

Dataset
Other Related Research

Abstract

SrCd(O2I)4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.93 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent O and two equivalent I atoms. Both Cd–O bond lengths are 2.28 Å. There are one shorter (2.74 Å) and one longer (2.80 Å) Cd–I bond lengths. In the second Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent O and two equivalent I atoms. Both Cd–O bond lengths are 2.29 Å. There are one shorter (2.75 Å) and one longer (2.84 Å) Cd–I bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in an L-shaped geometry to one Sr and one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted water-like geometry to one Cdmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1179497

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; SrCd(IO2)4; Cd-I-O-Sr

OSTI Identifier:: 1751129

DOI:: https://doi.org/10.17188/1751129

Citation Formats


                    The Materials Project. Materials Data on SrCd(IO2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751129.

Copy to clipboard


                    The Materials Project. Materials Data on SrCd(IO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751129

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SrCd(IO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751129.  https://www.osti.gov/servlets/purl/1751129. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1751129,

  title        = {Materials Data on SrCd(IO2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCd(O2I)4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.93 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent O and two equivalent I atoms. Both Cd–O bond lengths are 2.28 Å. There are one shorter (2.74 Å) and one longer (2.80 Å) Cd–I bond lengths. In the second Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent O and two equivalent I atoms. Both Cd–O bond lengths are 2.29 Å. There are one shorter (2.75 Å) and one longer (2.84 Å) Cd–I bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in an L-shaped geometry to one Sr and one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted water-like geometry to one Cd and two I atoms. There are one shorter (1.93 Å) and one longer (2.67 Å) O–I bond lengths. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Sr and two I atoms. There are one shorter (1.90 Å) and one longer (2.53 Å) O–I bond lengths. In the fifth O site, O is bonded in a 3-coordinate geometry to one Cd and two I atoms. There are one shorter (1.95 Å) and one longer (2.51 Å) O–I bond lengths. In the sixth O site, O is bonded in a 2-coordinate geometry to one Sr and two I atoms. There are one shorter (1.87 Å) and one longer (2.66 Å) O–I bond lengths. In the seventh O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. The O–O bond length is 1.38 Å. In the eighth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. There are six inequivalent I sites. In the first I site, I is bonded in a distorted L-shaped geometry to four O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a water-like geometry to two equivalent Cd atoms. In the fourth I site, I is bonded in a distorted rectangular see-saw-like geometry to four O atoms. In the fifth I site, I is bonded in a water-like geometry to two equivalent Cd atoms. In the sixth I site, I is bonded in a 4-coordinate geometry to four O atoms.},

  doi          = {10.17188/1751129},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1751129

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SrCd(PO3)4 by Materials Project

Dataset The Materials Project

SrCd(PO3)4 crystallizes in the monoclinic P2_1/c 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 2.51–2.81 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with six PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.30–2.37 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 pentagonal pyramids and cornersmore »« less
Materials Data on CsCu3As8H24C8(IO2)4 by Materials Project

Dataset The Materials Project

CsCu3C8As8H24(O2I)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to one As3-, two H1+, four O2-, and four I1- atoms. The Cs–As bond length is 4.23 Å. There are one shorter (3.28 Å) and one longer (3.46 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.30–3.67 Å. There are a spread of Cs–I bond distances ranging from 3.87–4.18 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to two As3- and two I1- atoms to form CuAs2I2 tetrahedramore »« less
Materials Data on SrAg2(IO2)4 by Materials Project

Dataset The Materials Project

SrAg2(O2I)4 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.64 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.38 Å. O2- is bonded to one Sr2+, one Ag3+, and two equivalent I2+ atoms to form a mixture of distorted edge and corner-sharing OSrAgI2 tetrahedra. There are one shorter (2.01 Å) and one longer (2.40 Å) O–I bond lengths. I2+ is bonded in a square co-planar geometry to fourmore » equivalent O2- atoms.« less
Materials Data on SrAg2(IO2)4 by Materials Project

Dataset The Materials Project

SrAg2(O2I)4 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.59 Å. Ag3+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.38 Å. O2- is bonded to one Sr2+, one Ag3+, and two equivalent I2+ atoms to form a mixture of distorted edge and corner-sharing OSrAgI2 tetrahedra. There are one shorter (1.99 Å) and one longer (2.44 Å) O–I bond lengths. I2+ is bonded in a square co-planar geometry tomore » four equivalent O2- atoms.« less
Materials Data on CaHg(IO2)4 by Materials Project

Dataset The Materials Project

Ca(O2I)4Hg crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional and consists of eight mercury molecules and one Ca(O2I)4 framework. In the Ca(O2I)4 framework, there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.44 Å) and four longer (2.53 Å) Ca–O bond lengths. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.51 Å) and four longer (2.69 Å) Ca–O bond lengths. There are four inequivalent O sites. In themore »« less

Similar Records