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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three CeSe2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to six Se2- atoms to form distorted edge-sharing CeSe6 pentagonal pyramids. There are three shorter (2.89 Å) and three longer (2.90 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Molybdenite-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two CeSe2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing CeSe6 pentagonal pyramids. All Ce–Se bond lengths are 2.90 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of four CeSe2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing CeSe6 pentagonal pyramids. All Ce–Se bond lengths are 2.91 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six CeSe2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to six equivalent Se2- atoms to form edge-sharing CeSe6 octahedra. All Ce–Se bond lengths are 2.87 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a distorted q6 geometry to ten equivalent Se2- atoms. There are eight shorter (3.08 Å) and two longer (3.27 Å) Ce–Se bond lengths. Se2- is bonded in a 10-coordinate geometry to five equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce4+ is bonded to twelve equivalent Se2- atoms to form a mixture of edge and face-sharing CeSe12 cuboctahedra. All Ce–Se bond lengths are 3.30 Å. Se2- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Se2- atoms. All Se–Se bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are three shorter (2.90 Å) and six longer (3.17 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are six shorter (2.92 Å) and three longer (3.12 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Ce4+ atoms to form a mixture of distorted corner and edge-sharing SeCe4 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ce4+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing CeSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ce–Se bond distances ranging from 2.85–2.90 Å. Se2- is bonded in a distorted trigonal planar geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Ce–Se bond distances ranging from 2.70–3.05 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to four equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSe2 by Materials Project

CeSe2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ce4+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing CeSe6 pentagonal pyramids. There are two shorter (2.84 Å) and four longer (2.86 Å) Ce–Se bond lengths. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.

36 MATERIALS SCIENCE↗