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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoAsSe by Materials Project

HoAsSe is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Ho–As bond distances ranging from 3.06–3.17 Å. There are a spread of Ho–Se bond distances ranging from 2.89–3.03 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.56–2.97 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAsSe by Materials Project

HoAsSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Ho–As bond distances ranging from 3.06–3.15 Å. There are four shorter (2.89 Å) and one longer (3.02 Å) Ho–Se bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent As1- atoms. There are two shorter (2.58 Å) and two longer (2.96 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAsS by Materials Project

HoAsS is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Ho–As bond distances ranging from 3.10–3.16 Å. There are four shorter (2.79 Å) and one longer (2.84 Å) Ho–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.54–2.87 Å. S2- is bonded to five equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing SHo5 trigonal bipyramids.

36 MATERIALS SCIENCE↗