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Title: Materials Data on Sr3(SnP2)2 by Materials Project

Abstract

Sr3Sn2P4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are seven inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are a spread of Sr–P bond distances ranging from 3.02–3.16 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sr–P bond distances ranging from 3.10–3.24 Å. In the third Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Sr–P bond distances ranging from 3.06–3.30 Å. In the fourth Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are a spread of Sr–P bond distances ranging from 3.10–3.33 Å. In the fifth Sr2+ site, Sr2+ is bonded to six P3- atoms to formmore » a mixture of distorted edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are two shorter (3.19 Å) and four longer (3.27 Å) Sr–P bond lengths. In the sixth Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Sr–P bond distances ranging from 3.14–3.16 Å. In the seventh Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are four shorter (3.13 Å) and two longer (3.19 Å) Sr–P bond lengths. There are three inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.52–2.60 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.50–2.60 Å. In the third Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.49–2.59 Å. There are seven inequivalent P3- sites. In the first P3- site, P3- is bonded to four Sr2+ and two Sn3+ atoms to form PSr4Sn2 octahedra that share corners with six PSr5Sn octahedra and edges with nine PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–80°. In the second P3- site, P3- is bonded to four Sr2+ and two equivalent Sn3+ atoms to form a mixture of distorted edge and corner-sharing PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–77°. In the third P3- site, P3- is bonded to four Sr2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–77°. In the fourth P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of edge and corner-sharing PSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 7–84°. In the fifth P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form PSr5Sn octahedra that share corners with seven PSr5Sn octahedra and edges with ten PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 4–80°. In the sixth P3- site, P3- is bonded to four Sr2+ and two Sn3+ atoms to form distorted PSr4Sn2 octahedra that share corners with six PSr5Sn octahedra and edges with nine PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–77°. In the seventh P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of edge and corner-sharing PSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 0–84°.« less

Publication Date:
Other Number(s):
mp-571291
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; Sr3(SnP2)2; P-Sn-Sr
OSTI Identifier:
1276186
DOI:
10.17188/1276186

Citation Formats

The Materials Project. Materials Data on Sr3(SnP2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276186.
The Materials Project. Materials Data on Sr3(SnP2)2 by Materials Project. United States. doi:10.17188/1276186.
The Materials Project. 2020. "Materials Data on Sr3(SnP2)2 by Materials Project". United States. doi:10.17188/1276186. https://www.osti.gov/servlets/purl/1276186. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276186,
title = {Materials Data on Sr3(SnP2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Sn2P4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are seven inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are a spread of Sr–P bond distances ranging from 3.02–3.16 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sr–P bond distances ranging from 3.10–3.24 Å. In the third Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Sr–P bond distances ranging from 3.06–3.30 Å. In the fourth Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are a spread of Sr–P bond distances ranging from 3.10–3.33 Å. In the fifth Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of distorted edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are two shorter (3.19 Å) and four longer (3.27 Å) Sr–P bond lengths. In the sixth Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Sr–P bond distances ranging from 3.14–3.16 Å. In the seventh Sr2+ site, Sr2+ is bonded to six P3- atoms to form a mixture of edge and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are four shorter (3.13 Å) and two longer (3.19 Å) Sr–P bond lengths. There are three inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.52–2.60 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.50–2.60 Å. In the third Sn3+ site, Sn3+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are a spread of Sn–P bond distances ranging from 2.49–2.59 Å. There are seven inequivalent P3- sites. In the first P3- site, P3- is bonded to four Sr2+ and two Sn3+ atoms to form PSr4Sn2 octahedra that share corners with six PSr5Sn octahedra and edges with nine PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–80°. In the second P3- site, P3- is bonded to four Sr2+ and two equivalent Sn3+ atoms to form a mixture of distorted edge and corner-sharing PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–77°. In the third P3- site, P3- is bonded to four Sr2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–77°. In the fourth P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of edge and corner-sharing PSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 7–84°. In the fifth P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form PSr5Sn octahedra that share corners with seven PSr5Sn octahedra and edges with ten PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 4–80°. In the sixth P3- site, P3- is bonded to four Sr2+ and two Sn3+ atoms to form distorted PSr4Sn2 octahedra that share corners with six PSr5Sn octahedra and edges with nine PSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–77°. In the seventh P3- site, P3- is bonded to five Sr2+ and one Sn3+ atom to form a mixture of edge and corner-sharing PSr5Sn octahedra. The corner-sharing octahedra tilt angles range from 0–84°.},
doi = {10.17188/1276186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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