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Title: Materials Data on Sr9Cd4Bi9 by Materials Project

Abstract

Sr9Cd4Bi9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to four Cd and five Bi atoms. There are two shorter (3.50 Å) and two longer (3.76 Å) Sr–Cd bond lengths. There are a spread of Sr–Bi bond distances ranging from 3.44–3.55 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Cd and five Bi atoms. Both Sr–Cd bond lengths are 3.47 Å. There are a spread of Sr–Bi bond distances ranging from 3.38–3.54 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to two equivalent Cd and six Bi atoms. Both Sr–Cd bond lengths are 3.79 Å. There are two shorter (3.50 Å) and four longer (3.56 Å) Sr–Bi bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to one Cd and six Bi atoms. The Sr–Cd bond length is 3.52 Å. There are a spread of Sr–Bi bond distances ranging from 3.47–3.71 Å. In the fifth Sr site, Sr is bonded to six Bi atoms to form a mixture of distorted edgemore » and corner-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Sr–Bi bond distances ranging from 3.45–3.68 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to six Sr and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.97–3.26 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to two equivalent Sr and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.98–3.13 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to five Sr and two equivalent Cd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to five Sr and two equivalent Cd atoms. In the third Bi site, Bi is bonded in a distorted body-centered cubic geometry to six Sr and two equivalent Cd atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Sr and two Cd atoms. In the fifth Bi site, Bi is bonded to six Sr and one Cd atom to form a mixture of distorted edge and corner-sharing BiSr6Cd pentagonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-30447
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr9Cd4Bi9; Bi-Cd-Sr
OSTI Identifier:
1204855
DOI:
https://doi.org/10.17188/1204855

Citation Formats

The Materials Project. Materials Data on Sr9Cd4Bi9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204855.
The Materials Project. Materials Data on Sr9Cd4Bi9 by Materials Project. United States. doi:https://doi.org/10.17188/1204855
The Materials Project. 2020. "Materials Data on Sr9Cd4Bi9 by Materials Project". United States. doi:https://doi.org/10.17188/1204855. https://www.osti.gov/servlets/purl/1204855. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1204855,
title = {Materials Data on Sr9Cd4Bi9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr9Cd4Bi9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to four Cd and five Bi atoms. There are two shorter (3.50 Å) and two longer (3.76 Å) Sr–Cd bond lengths. There are a spread of Sr–Bi bond distances ranging from 3.44–3.55 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Cd and five Bi atoms. Both Sr–Cd bond lengths are 3.47 Å. There are a spread of Sr–Bi bond distances ranging from 3.38–3.54 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to two equivalent Cd and six Bi atoms. Both Sr–Cd bond lengths are 3.79 Å. There are two shorter (3.50 Å) and four longer (3.56 Å) Sr–Bi bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to one Cd and six Bi atoms. The Sr–Cd bond length is 3.52 Å. There are a spread of Sr–Bi bond distances ranging from 3.47–3.71 Å. In the fifth Sr site, Sr is bonded to six Bi atoms to form a mixture of distorted edge and corner-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Sr–Bi bond distances ranging from 3.45–3.68 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to six Sr and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.97–3.26 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to two equivalent Sr and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.98–3.13 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to five Sr and two equivalent Cd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to five Sr and two equivalent Cd atoms. In the third Bi site, Bi is bonded in a distorted body-centered cubic geometry to six Sr and two equivalent Cd atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Sr and two Cd atoms. In the fifth Bi site, Bi is bonded to six Sr and one Cd atom to form a mixture of distorted edge and corner-sharing BiSr6Cd pentagonal bipyramids.},
doi = {10.17188/1204855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}