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

Title: Materials Data on K4Eu(PS4)2 by Materials Project

Abstract

K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.52 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.56 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.30–3.85 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.53 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.87 Å. In the seventh K1+ site, K1+ is bonded in a 8-coordinate geometry to eightmore » S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.83 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.53 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.11–3.16 Å. In the second Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.08–3.17 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the third P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the tenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the sixteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-669560
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; K4Eu(PS4)2; Eu-K-P-S
OSTI Identifier:
1281709
DOI:
10.17188/1281709

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K4Eu(PS4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281709.
Persson, Kristin, & Project, Materials. Materials Data on K4Eu(PS4)2 by Materials Project. United States. doi:10.17188/1281709.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K4Eu(PS4)2 by Materials Project". United States. doi:10.17188/1281709. https://www.osti.gov/servlets/purl/1281709. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1281709,
title = {Materials Data on K4Eu(PS4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.52 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.56 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.30–3.85 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.53 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.87 Å. In the seventh K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.83 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.53 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.11–3.16 Å. In the second Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.08–3.17 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the third P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the tenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the sixteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.},
doi = {10.17188/1281709},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: