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Title: Materials Data on K2EuGeSe5 by Materials Project

Abstract

K2EuGeSe5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to eight Se+1.80- atoms. There are a spread of K–Se bond distances ranging from 3.30–4.07 Å. In the second K1+ site, K1+ is bonded to seven Se+1.80- atoms to form distorted KSe7 pentagonal bipyramids that share corners with two equivalent KSe7 pentagonal bipyramids, corners with four equivalent GeSe4 tetrahedra, an edgeedge with one KSe7 pentagonal bipyramid, and an edgeedge with one GeSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.22–3.51 Å. Eu3+ is bonded in a 9-coordinate geometry to nine Se+1.80- atoms. There are a spread of Eu–Se bond distances ranging from 3.12–3.50 Å. Ge4+ is bonded to four Se+1.80- atoms to form GeSe4 tetrahedra that share corners with four equivalent KSe7 pentagonal bipyramids and an edgeedge with one KSe7 pentagonal bipyramid. There are a spread of Ge–Se bond distances ranging from 2.36–2.44 Å. There are five inequivalent Se+1.80- sites. In the first Se+1.80- site, Se+1.80- is bonded in a 6-coordinate geometry to one K1+, three equivalent Eu3+, and two Se+1.80- atoms. There are one shortermore » (2.52 Å) and one longer (2.93 Å) Se–Se bond lengths. In the second Se+1.80- site, Se+1.80- is bonded in a 5-coordinate geometry to three K1+, two equivalent Eu3+, and one Ge4+ atom. In the third Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to one K1+, three equivalent Eu3+, one Ge4+, and one Se+1.80- atom. In the fourth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to four K1+, one Eu3+, one Ge4+, and one Se+1.80- atom. In the fifth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to six K1+ and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-628810
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; K2EuGeSe5; Eu-Ge-K-Se
OSTI Identifier:
1278944
DOI:
https://doi.org/10.17188/1278944

Citation Formats

The Materials Project. Materials Data on K2EuGeSe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278944.
The Materials Project. Materials Data on K2EuGeSe5 by Materials Project. United States. doi:https://doi.org/10.17188/1278944
The Materials Project. 2020. "Materials Data on K2EuGeSe5 by Materials Project". United States. doi:https://doi.org/10.17188/1278944. https://www.osti.gov/servlets/purl/1278944. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278944,
title = {Materials Data on K2EuGeSe5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2EuGeSe5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to eight Se+1.80- atoms. There are a spread of K–Se bond distances ranging from 3.30–4.07 Å. In the second K1+ site, K1+ is bonded to seven Se+1.80- atoms to form distorted KSe7 pentagonal bipyramids that share corners with two equivalent KSe7 pentagonal bipyramids, corners with four equivalent GeSe4 tetrahedra, an edgeedge with one KSe7 pentagonal bipyramid, and an edgeedge with one GeSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.22–3.51 Å. Eu3+ is bonded in a 9-coordinate geometry to nine Se+1.80- atoms. There are a spread of Eu–Se bond distances ranging from 3.12–3.50 Å. Ge4+ is bonded to four Se+1.80- atoms to form GeSe4 tetrahedra that share corners with four equivalent KSe7 pentagonal bipyramids and an edgeedge with one KSe7 pentagonal bipyramid. There are a spread of Ge–Se bond distances ranging from 2.36–2.44 Å. There are five inequivalent Se+1.80- sites. In the first Se+1.80- site, Se+1.80- is bonded in a 6-coordinate geometry to one K1+, three equivalent Eu3+, and two Se+1.80- atoms. There are one shorter (2.52 Å) and one longer (2.93 Å) Se–Se bond lengths. In the second Se+1.80- site, Se+1.80- is bonded in a 5-coordinate geometry to three K1+, two equivalent Eu3+, and one Ge4+ atom. In the third Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to one K1+, three equivalent Eu3+, one Ge4+, and one Se+1.80- atom. In the fourth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to four K1+, one Eu3+, one Ge4+, and one Se+1.80- atom. In the fifth Se+1.80- site, Se+1.80- is bonded in a 1-coordinate geometry to six K1+ and one Ge4+ atom.},
doi = {10.17188/1278944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}