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

Title: Materials Data on Sr4(PPd)5 by Materials Project

Abstract

Sr4(PdP)5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five Pd and seven P atoms to form a mixture of edge and face-sharing SrP7Pd5 cuboctahedra. There are a spread of Sr–Pd bond distances ranging from 3.19–3.26 Å. There are a spread of Sr–P bond distances ranging from 3.23–3.27 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Pd and six P atoms. There are a spread of Sr–Pd bond distances ranging from 3.27–3.31 Å. There are a spread of Sr–P bond distances ranging from 3.24–3.28 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sr and three P atoms. There are two shorter (2.42 Å) and one longer (2.45 Å) Pd–P bond lengths. In the second Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Pd–P bond lengths. In the third Pd site, Pd is bonded inmore » a 9-coordinate geometry to six Sr and three P atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Sr and three P atoms. There are one shorter (2.40 Å) and two longer (2.41 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Pd–P bond lengths. There are five inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Pd, and one P atom. The P–P bond length is 2.27 Å. In the second P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. The P–P bond length is 2.70 Å. In the third P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. In the fourth P site, P is bonded in a 9-coordinate geometry to six Sr, two equivalent Pd, and one P atom. In the fifth P site, P is bonded in a 9-coordinate geometry to six Sr and three Pd atoms.« less

Publication Date:
Other Number(s):
mp-28201
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; Sr4(PPd)5; P-Pd-Sr
OSTI Identifier:
1202334
DOI:
https://doi.org/10.17188/1202334

Citation Formats

The Materials Project. Materials Data on Sr4(PPd)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202334.
The Materials Project. Materials Data on Sr4(PPd)5 by Materials Project. United States. doi:https://doi.org/10.17188/1202334
The Materials Project. 2020. "Materials Data on Sr4(PPd)5 by Materials Project". United States. doi:https://doi.org/10.17188/1202334. https://www.osti.gov/servlets/purl/1202334. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202334,
title = {Materials Data on Sr4(PPd)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4(PdP)5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five Pd and seven P atoms to form a mixture of edge and face-sharing SrP7Pd5 cuboctahedra. There are a spread of Sr–Pd bond distances ranging from 3.19–3.26 Å. There are a spread of Sr–P bond distances ranging from 3.23–3.27 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Pd and six P atoms. There are a spread of Sr–Pd bond distances ranging from 3.27–3.31 Å. There are a spread of Sr–P bond distances ranging from 3.24–3.28 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sr and three P atoms. There are two shorter (2.42 Å) and one longer (2.45 Å) Pd–P bond lengths. In the second Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.55 Å) and two longer (2.57 Å) Pd–P bond lengths. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Sr and three P atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to six Sr and three P atoms. There are one shorter (2.40 Å) and two longer (2.41 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded to four equivalent Sr and four P atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Pd–P bond lengths. There are five inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Pd, and one P atom. The P–P bond length is 2.27 Å. In the second P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. The P–P bond length is 2.70 Å. In the third P site, P is bonded in a 10-coordinate geometry to four equivalent Sr, five Pd, and one P atom. In the fourth P site, P is bonded in a 9-coordinate geometry to six Sr, two equivalent Pd, and one P atom. In the fifth P site, P is bonded in a 9-coordinate geometry to six Sr and three Pd atoms.},
doi = {10.17188/1202334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}