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Title: Materials Data on K2Pd3Se2 by Materials Project

Abstract

K2Pd3Se2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2Pd3Se2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 7-coordinate geometry to three Pd and four equivalent Se atoms. There are a spread of K–Pd bond distances ranging from 3.15–3.21 Å. There are a spread of K–Se bond distances ranging from 3.47–3.64 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent K, three Pd, and two equivalent Se atoms. There are one shorter (2.65 Å) and two longer (2.76 Å) Pd–Pd bond lengths. There are one shorter (2.48 Å) and one longer (2.51 Å) Pd–Se bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent K, four equivalent Pd, and two equivalent Se atoms. Both Pd–Se bond lengths are 2.49 Å. Se is bonded in a 7-coordinate geometry to four equivalent K and three Pd atoms.

Publication Date:
Other Number(s):
mp-1212720
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; K2Pd3Se2; K-Pd-Se
OSTI Identifier:
1667218
DOI:
https://doi.org/10.17188/1667218

Citation Formats

The Materials Project. Materials Data on K2Pd3Se2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1667218.
The Materials Project. Materials Data on K2Pd3Se2 by Materials Project. United States. doi:https://doi.org/10.17188/1667218
The Materials Project. 2019. "Materials Data on K2Pd3Se2 by Materials Project". United States. doi:https://doi.org/10.17188/1667218. https://www.osti.gov/servlets/purl/1667218. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1667218,
title = {Materials Data on K2Pd3Se2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Pd3Se2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2Pd3Se2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 7-coordinate geometry to three Pd and four equivalent Se atoms. There are a spread of K–Pd bond distances ranging from 3.15–3.21 Å. There are a spread of K–Se bond distances ranging from 3.47–3.64 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent K, three Pd, and two equivalent Se atoms. There are one shorter (2.65 Å) and two longer (2.76 Å) Pd–Pd bond lengths. There are one shorter (2.48 Å) and one longer (2.51 Å) Pd–Se bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent K, four equivalent Pd, and two equivalent Se atoms. Both Pd–Se bond lengths are 2.49 Å. Se is bonded in a 7-coordinate geometry to four equivalent K and three Pd atoms.},
doi = {10.17188/1667218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}