Materials Data on SrCd2H16(Cl3O4)2 by Materials Project

doi:10.17188/1291513

Title: Materials Data on SrCd2H16(Cl3O4)2 by Materials Project

Dataset
Other Related Research

Abstract

SrCd2H14O7Cl6H2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules and one SrCd2H14O7Cl6 sheet oriented in the (0, -1, 1) direction. In the SrCd2H14O7Cl6 sheet, Sr2+ is bonded in a 7-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.60–2.80 Å. The Sr–Cl bond length is 3.17 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.60–2.79 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.51–2.94 Å. There are fourteen 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 1.00 Å. In the second 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 third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–Omore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-759862

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; SrCd2H16(Cl3O4)2; Cd-Cl-H-O-Sr

OSTI Identifier:: 1291513

DOI:: https://doi.org/10.17188/1291513

Citation Formats


                    The Materials Project. Materials Data on SrCd2H16(Cl3O4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291513.

Copy to clipboard


                    The Materials Project. Materials Data on SrCd2H16(Cl3O4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291513

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on SrCd2H16(Cl3O4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291513.  https://www.osti.gov/servlets/purl/1291513. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1291513,

  title        = {Materials Data on SrCd2H16(Cl3O4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCd2H14O7Cl6H2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules and one SrCd2H14O7Cl6 sheet oriented in the (0, -1, 1) direction. In the SrCd2H14O7Cl6 sheet, Sr2+ is bonded in a 7-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.60–2.80 Å. The Sr–Cl bond length is 3.17 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.60–2.79 Å. In the second Cd2+ site, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.51–2.94 Å. There are fourteen 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 1.00 Å. In the second 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 third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth 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 ninth 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 tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 0.99 Å. The H–Cl bond length is 2.10 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sr2+ and one Cd2+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two Cd2+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom.},

  doi          = {10.17188/1291513},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1291513

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ta3(Cl3O4)2 by Materials Project

Dataset The Materials Project

Ta3(O2Cl3)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydrogen peroxide molecules and two Ta3(O2Cl3)2 clusters. In each Ta3(O2Cl3)2 cluster, there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to one O and four Cl atoms. The Ta–O bond length is 1.71 Å. There are a spread of Ta–Cl bond distances ranging from 2.32–2.53 Å. In the second Ta site, Ta is bonded in a 2-coordinate geometry to two O and three Cl atoms. Both Ta–O bond lengths are 1.75 Å. There are amore »« less
Materials Data on Nb3(Cl3O4)2 by Materials Project

Dataset The Materials Project

(Nb3O7Cl)2O2(Cl2)5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five chlorine molecules, two water molecules, and one Nb3O7Cl cluster. In the Nb3O7Cl cluster, there are six inequivalent Nb sites. In the first Nb site, Nb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Nb–O bond distances ranging from 1.73–2.10 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to five O and one Cl atom. There are a spread of Nb–O bond distances ranging from 1.73–2.40 Å. The Nb–Cl bond length is 2.33more »« less
Materials Data on Rb2Nb3H11C5(Cl3O4)2 by Materials Project

Dataset The Materials Project

Rb2Nb3C5H11(O4Cl3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to five O2- and three Cl1- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.44 Å. There are a spread of Rb–Cl bond distances ranging from 3.55–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.10 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site,more »« less
Materials Data on LiB6S4(Cl3O4)2 by Materials Project

Dataset The Materials Project

Li(SO2)4(BCl)6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twelve chloroborane molecules and one Li(SO2)4 cluster. In the Li(SO2)4 cluster, Li1+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.28 Å. There are four inequivalent S+0.75+ sites. In the first S+0.75+ site, S+0.75+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S+0.75+ site, S+0.75+ is bonded in a bent 120 degrees geometry to two O2- atoms. Theremore »« less
Materials Data on K2Nb3H11C5(Cl3O4)2 by Materials Project

Dataset The Materials Project

K2Nb3C5H11(O4Cl3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.81–2.88 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to one H1+, six O2-, and three Cl1- atoms. The K–H bond length is 3.07 Å. There are a spread of K–O bond distances ranging from 2.76–3.25 Å. There are a spread of K–Cl bond distances ranging from 3.39–3.77 Å. There aremore »« less

Similar Records