Materials Data on Ca3Ge(ClO2)2 by Materials Project

doi:10.17188/1268722

Title: Materials Data on Ca3Ge(ClO2)2 by Materials Project

Dataset
Other Related Research

Abstract

Ca3GeO4Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.59 Å. There are a spread of Ca–Cl bond distances ranging from 2.83–3.24 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.70 Å. Both Ca–Cl bond lengths are 2.81 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Ca2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. Cl1- is bonded in a 3-coordinate geometry to four Ca2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-555273

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; Ca3Ge(ClO2)2; Ca-Cl-Ge-O

OSTI Identifier:: 1268722

DOI:: https://doi.org/10.17188/1268722

Citation Formats


                    The Materials Project. Materials Data on Ca3Ge(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268722.

Copy to clipboard


                    The Materials Project. Materials Data on Ca3Ge(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268722

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ca3Ge(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268722.  https://www.osti.gov/servlets/purl/1268722. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1268722,

  title        = {Materials Data on Ca3Ge(ClO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3GeO4Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.59 Å. There are a spread of Ca–Cl bond distances ranging from 2.83–3.24 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.70 Å. Both Ca–Cl bond lengths are 2.81 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Ca2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. Cl1- is bonded in a 3-coordinate geometry to four Ca2+ atoms.},

  doi          = {10.17188/1268722},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1268722

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CaH8(ClO2)2 by Materials Project

Dataset The Materials Project

CaH8(O2Cl)2 is beta Polonium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CaH8(O2Cl)2 clusters. Ca2+ is bonded in an octahedral geometry to four O2- and two equivalent Cl1- atoms. There are two shorter (2.35 Å) and two longer (2.36 Å) Ca–O bond lengths. Both Ca–Cl bond lengths are 2.80 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometrymore »« less
Materials Data on BeH8(ClO2)2 by Materials Project

Dataset The Materials Project

BeH8(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.62–1.64 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.15 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å.more »« less
Materials Data on Ba2Cu3(ClO2)2 by Materials Project

Dataset The Materials Project

Ba2Cu3O4Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.21 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. O2- ismore »« less
Materials Data on KBiS(ClO2)2 by Materials Project

Dataset The Materials Project

KBiS(O2Cl)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.84–3.28 Å. There are a spread of K–Cl bond distances ranging from 3.27–3.65 Å. Bi3+ is bonded in a 8-coordinate geometry to five O2- and three Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.38–2.89 Å. There are a spread of Bi–Cl bond distances ranging from 2.53–3.34 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. Theremore »« less
Materials Data on Hg5(ClO2)2 by Materials Project

Dataset The Materials Project

Hg5(O2Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.11 Å. There are a spread of Hg–Cl bond distances ranging from 2.98–3.23 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.08 Å) and two longer (2.79 Å) Hg–O bond lengths. Both Hg–Cl bond lengths are 3.38more »« less

Similar Records