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Title: Materials Data on Ho7Mg3Rh2 by Materials Project

Abstract

Mg3Ho7Rh2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two Mg, nine Ho, and two Rh atoms. Both Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Ho bond distances ranging from 3.48–3.60 Å. There are one shorter (3.49 Å) and one longer (3.52 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded to three Mg and nine Ho atoms to form a mixture of face and corner-sharing MgHo9Mg3 cuboctahedra. There are two shorter (3.07 Å) and one longer (3.11 Å) Mg–Mg bond lengths. There are a spread of Mg–Ho bond distances ranging from 3.28–3.50 Å. In the third Mg site, Mg is bonded to four Mg and eight Ho atoms to form a mixture of face and corner-sharing MgHo8Mg4 cuboctahedra. There are one shorter (3.09 Å) and one longer (3.15 Å) Mg–Mg bond lengths. There are a spread of Mg–Ho bond distances ranging from 3.26–3.53 Å. In the fourth Mg site, Mg is bonded to five Mg and seven Ho atoms to form a mixture of face and corner-sharing MgHo7Mg5 cuboctahedra. Theremore » are a spread of Mg–Ho bond distances ranging from 3.22–3.50 Å. There are ten inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three Mg, three Ho, and three Rh atoms. There are one shorter (3.47 Å) and two longer (3.48 Å) Ho–Ho bond lengths. There are two shorter (2.79 Å) and one longer (2.83 Å) Ho–Rh bond lengths. In the second Ho site, Ho is bonded in a 3-coordinate geometry to four Mg, two Ho, and three Rh atoms. There are one shorter (3.50 Å) and one longer (3.51 Å) Ho–Ho bond lengths. There are a spread of Ho–Rh bond distances ranging from 2.78–2.83 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to five Mg, one Ho, and three Rh atoms. The Ho–Ho bond length is 3.52 Å. There are one shorter (2.80 Å) and two longer (2.82 Å) Ho–Rh bond lengths. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to four Mg, eight Ho, and two equivalent Rh atoms. There are four shorter (3.59 Å) and two longer (3.62 Å) Ho–Ho bond lengths. Both Ho–Rh bond lengths are 3.46 Å. In the fifth Ho site, Ho is bonded in a 4-coordinate geometry to three Mg, nine Ho, and two Rh atoms. There are a spread of Ho–Ho bond distances ranging from 3.56–3.63 Å. There are one shorter (3.48 Å) and one longer (3.49 Å) Ho–Rh bond lengths. In the sixth Ho site, Ho is bonded in a 4-coordinate geometry to four Mg, eight Ho, and two Rh atoms. There are two shorter (3.60 Å) and two longer (3.62 Å) Ho–Ho bond lengths. There are one shorter (3.47 Å) and one longer (3.49 Å) Ho–Rh bond lengths. In the seventh Ho site, Ho is bonded in a bent 150 degrees geometry to four Mg, two equivalent Ho, and two Rh atoms. There are one shorter (2.80 Å) and one longer (2.81 Å) Ho–Rh bond lengths. In the eighth Ho site, Ho is bonded in a bent 150 degrees geometry to three Mg, three Ho, and two Rh atoms. Both Ho–Rh bond lengths are 2.77 Å. In the ninth Ho site, Ho is bonded in a bent 150 degrees geometry to four Mg, two equivalent Ho, and two equivalent Rh atoms. Both Ho–Rh bond lengths are 2.80 Å. In the tenth Ho site, Ho is bonded in a bent 150 degrees geometry to three Mg, three Ho, and two Rh atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) Ho–Rh bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and seven Ho atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to one Mg and eight Ho atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine Ho atoms.« less

Publication Date:
Other Number(s):
mp-1224189
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; Ho7Mg3Rh2; Ho-Mg-Rh
OSTI Identifier:
1665620
DOI:
https://doi.org/10.17188/1665620

Citation Formats

The Materials Project. Materials Data on Ho7Mg3Rh2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665620.
The Materials Project. Materials Data on Ho7Mg3Rh2 by Materials Project. United States. doi:https://doi.org/10.17188/1665620
The Materials Project. 2020. "Materials Data on Ho7Mg3Rh2 by Materials Project". United States. doi:https://doi.org/10.17188/1665620. https://www.osti.gov/servlets/purl/1665620. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1665620,
title = {Materials Data on Ho7Mg3Rh2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Ho7Rh2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two Mg, nine Ho, and two Rh atoms. Both Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Ho bond distances ranging from 3.48–3.60 Å. There are one shorter (3.49 Å) and one longer (3.52 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded to three Mg and nine Ho atoms to form a mixture of face and corner-sharing MgHo9Mg3 cuboctahedra. There are two shorter (3.07 Å) and one longer (3.11 Å) Mg–Mg bond lengths. There are a spread of Mg–Ho bond distances ranging from 3.28–3.50 Å. In the third Mg site, Mg is bonded to four Mg and eight Ho atoms to form a mixture of face and corner-sharing MgHo8Mg4 cuboctahedra. There are one shorter (3.09 Å) and one longer (3.15 Å) Mg–Mg bond lengths. There are a spread of Mg–Ho bond distances ranging from 3.26–3.53 Å. In the fourth Mg site, Mg is bonded to five Mg and seven Ho atoms to form a mixture of face and corner-sharing MgHo7Mg5 cuboctahedra. There are a spread of Mg–Ho bond distances ranging from 3.22–3.50 Å. There are ten inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three Mg, three Ho, and three Rh atoms. There are one shorter (3.47 Å) and two longer (3.48 Å) Ho–Ho bond lengths. There are two shorter (2.79 Å) and one longer (2.83 Å) Ho–Rh bond lengths. In the second Ho site, Ho is bonded in a 3-coordinate geometry to four Mg, two Ho, and three Rh atoms. There are one shorter (3.50 Å) and one longer (3.51 Å) Ho–Ho bond lengths. There are a spread of Ho–Rh bond distances ranging from 2.78–2.83 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to five Mg, one Ho, and three Rh atoms. The Ho–Ho bond length is 3.52 Å. There are one shorter (2.80 Å) and two longer (2.82 Å) Ho–Rh bond lengths. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to four Mg, eight Ho, and two equivalent Rh atoms. There are four shorter (3.59 Å) and two longer (3.62 Å) Ho–Ho bond lengths. Both Ho–Rh bond lengths are 3.46 Å. In the fifth Ho site, Ho is bonded in a 4-coordinate geometry to three Mg, nine Ho, and two Rh atoms. There are a spread of Ho–Ho bond distances ranging from 3.56–3.63 Å. There are one shorter (3.48 Å) and one longer (3.49 Å) Ho–Rh bond lengths. In the sixth Ho site, Ho is bonded in a 4-coordinate geometry to four Mg, eight Ho, and two Rh atoms. There are two shorter (3.60 Å) and two longer (3.62 Å) Ho–Ho bond lengths. There are one shorter (3.47 Å) and one longer (3.49 Å) Ho–Rh bond lengths. In the seventh Ho site, Ho is bonded in a bent 150 degrees geometry to four Mg, two equivalent Ho, and two Rh atoms. There are one shorter (2.80 Å) and one longer (2.81 Å) Ho–Rh bond lengths. In the eighth Ho site, Ho is bonded in a bent 150 degrees geometry to three Mg, three Ho, and two Rh atoms. Both Ho–Rh bond lengths are 2.77 Å. In the ninth Ho site, Ho is bonded in a bent 150 degrees geometry to four Mg, two equivalent Ho, and two equivalent Rh atoms. Both Ho–Rh bond lengths are 2.80 Å. In the tenth Ho site, Ho is bonded in a bent 150 degrees geometry to three Mg, three Ho, and two Rh atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) Ho–Rh bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and seven Ho atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to one Mg and eight Ho atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine Ho atoms.},
doi = {10.17188/1665620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}