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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaSe by Materials Project

LaSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La2+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing LaSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Se bond lengths are 3.05 Å. Se2- is bonded to six equivalent La2+ atoms to form a mixture of edge and corner-sharing SeLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSe2 by Materials Project

LaSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven Se+1.50- atoms. There are a spread of La–Se bond distances ranging from 2.94–3.27 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second Se+1.50- site, Se+1.50- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Se+1.50- atom. The Se–Se bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSe2 by Materials Project

LaSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of La–Se bond distances ranging from 3.03–3.32 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Se+1.50- atom. The Se–Se bond length is 2.52 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSe by Materials Project

LaSe is BCT5-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two LaSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to five Se2- atoms to form a mixture of distorted corner and edge-sharing LaSe5 square pyramids. There are four shorter (3.02 Å) and one longer (3.06 Å) La–Se bond lengths. In the second La2+ site, La2+ is bonded to five Se2- atoms to form a mixture of distorted corner and edge-sharing LaSe5 square pyramids. There are four shorter (3.02 Å) and one longer (3.06 Å) La–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La2+ atoms to form a mixture of distorted corner and edge-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded to five La2+ atoms to form a mixture of distorted corner and edge-sharing SeLa5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSe by Materials Project

LaSe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All La–Se bond lengths are 3.22 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent La2+ atoms.

36 MATERIALS SCIENCE↗