skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrNi2Te3(ClO4)2 by Materials Project

Abstract

SrNi2Te3O8Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SrNi2Te3O8Cl2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.09 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to five O2- and one Cl1- atom to form edge-sharing NiClO5 octahedra. There are a spread of Ni–O bond distances ranging from 2.07–2.19 Å. The Ni–Cl bond length is 2.43 Å. In the second Ni2+ site, Ni2+ is bonded to five O2- and one Cl1- atom to form edge-sharing NiClO5 octahedra. There are a spread of Ni–O bond distances ranging from 2.08–2.14 Å. The Ni–Cl bond length is 2.43 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.18 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.92 Å. In the third Te4+more » site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.92 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Sr2+, one Ni2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Ni2+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Sr2+ and two Te4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ni2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ni2+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-646605
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrNi2Te3(ClO4)2; Cl-Ni-O-Sr-Te
OSTI Identifier:
1280640
DOI:
10.17188/1280640

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrNi2Te3(ClO4)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280640.
Persson, Kristin, & Project, Materials. Materials Data on SrNi2Te3(ClO4)2 by Materials Project. United States. doi:10.17188/1280640.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on SrNi2Te3(ClO4)2 by Materials Project". United States. doi:10.17188/1280640. https://www.osti.gov/servlets/purl/1280640. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1280640,
title = {Materials Data on SrNi2Te3(ClO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrNi2Te3O8Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SrNi2Te3O8Cl2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.09 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to five O2- and one Cl1- atom to form edge-sharing NiClO5 octahedra. There are a spread of Ni–O bond distances ranging from 2.07–2.19 Å. The Ni–Cl bond length is 2.43 Å. In the second Ni2+ site, Ni2+ is bonded to five O2- and one Cl1- atom to form edge-sharing NiClO5 octahedra. There are a spread of Ni–O bond distances ranging from 2.08–2.14 Å. The Ni–Cl bond length is 2.43 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.18 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.92 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.92 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Sr2+, one Ni2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Ni2+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two Ni2+, and one Te4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Sr2+ and two Te4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ni2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ni2+ atom.},
doi = {10.17188/1280640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

Dataset:

Save / Share: