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Title: Materials Data on Ca8In3 by Materials Project

Abstract

Ca8In3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.20–3.64 Å. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.24–3.61 Å. In the third Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.29–3.57 Å. In the fourth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.31–3.58 Å. In the fifth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.23–3.65 Å. In the sixth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.24–3.63 Å. In the seventh Ca site, Ca is bonded in a 4-coordinate geometry to fourmore » In atoms. There are a spread of Ca–In bond distances ranging from 3.25–3.69 Å. In the eighth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.19–3.64 Å. In the ninth Ca site, Ca is bonded in a 2-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.25–3.69 Å. In the tenth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.21–3.66 Å. In the eleventh Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.31–3.41 Å. In the twelfth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.30–3.47 Å. In the thirteenth Ca site, Ca is bonded in a 3-coordinate geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.37–3.71 Å. In the fourteenth Ca site, Ca is bonded in a 3-coordinate geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.38–3.72 Å. In the fifteenth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.28–3.43 Å. In the sixteenth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.30–3.44 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the second In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the third In site, In is bonded in a body-centered cubic geometry to eight Ca atoms. In the fourth In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the fifth In site, In is bonded in a distorted q6 geometry to ten Ca atoms. In the sixth In site, In is bonded in a 10-coordinate geometry to ten Ca atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191538
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; Ca8In3; Ca-In
OSTI Identifier:
1685333
DOI:
https://doi.org/10.17188/1685333

Citation Formats

The Materials Project. Materials Data on Ca8In3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685333.
The Materials Project. Materials Data on Ca8In3 by Materials Project. United States. doi:https://doi.org/10.17188/1685333
The Materials Project. 2020. "Materials Data on Ca8In3 by Materials Project". United States. doi:https://doi.org/10.17188/1685333. https://www.osti.gov/servlets/purl/1685333. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685333,
title = {Materials Data on Ca8In3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca8In3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.20–3.64 Å. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.24–3.61 Å. In the third Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.29–3.57 Å. In the fourth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.31–3.58 Å. In the fifth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.23–3.65 Å. In the sixth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.24–3.63 Å. In the seventh Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.25–3.69 Å. In the eighth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.19–3.64 Å. In the ninth Ca site, Ca is bonded in a 2-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.25–3.69 Å. In the tenth Ca site, Ca is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Ca–In bond distances ranging from 3.21–3.66 Å. In the eleventh Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.31–3.41 Å. In the twelfth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.30–3.47 Å. In the thirteenth Ca site, Ca is bonded in a 3-coordinate geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.37–3.71 Å. In the fourteenth Ca site, Ca is bonded in a 3-coordinate geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.38–3.72 Å. In the fifteenth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.28–3.43 Å. In the sixteenth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Ca–In bond distances ranging from 3.30–3.44 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the second In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the third In site, In is bonded in a body-centered cubic geometry to eight Ca atoms. In the fourth In site, In is bonded in a 10-coordinate geometry to ten Ca atoms. In the fifth In site, In is bonded in a distorted q6 geometry to ten Ca atoms. In the sixth In site, In is bonded in a 10-coordinate geometry to ten Ca atoms.},
doi = {10.17188/1685333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}