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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaS2 by Materials Project

LaS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.91–3.25 Å. There are three inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S+1.50- atom. The S–S bond length is 2.11 Å. In the third S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S+1.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaS by Materials Project

LaS 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 S2- atoms to form a mixture of edge and corner-sharing LaS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–S bond lengths are 2.94 Å. S2- is bonded to six equivalent La2+ atoms to form a mixture of edge and corner-sharing SLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaS by Materials Project

LaS crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two LaS sheets oriented in the (0, 0, 1) direction. La2+ is bonded to five equivalent S2- atoms to form a mixture of edge and corner-sharing LaS5 square pyramids. There are four shorter (2.91 Å) and one longer (2.93 Å) La–S bond lengths. S2- is bonded to five equivalent La2+ atoms to form a mixture of edge and corner-sharing SLa5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La10S19 by Materials Project

La10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.95–3.23 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.90–3.19 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.94–3.05 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom. The S–S bond length is 2.14 Å. In the fifth S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3S4 by Materials Project

La3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La+2.67+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing LaS8 hexagonal bipyramids. There are four shorter (2.95 Å) and four longer (3.11 Å) La–S bond lengths. S2- is bonded to six equivalent La+2.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SLa6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2S3 by Materials Project

La2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.17 Å. In the second La3+ site, La3+ is bonded to seven S2- atoms to form distorted edge-sharing LaS7 pentagonal bipyramids. There are a spread of La–S bond distances ranging from 2.89–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 trigonal bipyramids. In the second S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 square pyramids. In the third S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaS by Materials Project

LaS 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 S2- atoms. All La–S bond lengths are 3.10 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent La2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaS2 by Materials Project

LaS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.95–3.06 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4S7 by Materials Project

La4S7 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La+2.50+ is bonded in a 8-coordinate geometry to eight S+1.43- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) La–S bond lengths. There are three inequivalent S+1.43- sites. In the first S+1.43- site, S+1.43- is bonded to five equivalent La+2.50+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S+1.43- site, S+1.43- is bonded in a 6-coordinate geometry to four equivalent La+2.50+ atoms. In the third S+1.43- site, S+1.43- is bonded in a 8-coordinate geometry to four equivalent La+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5S8 by Materials Project

La5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six S+1.88- atoms to form LaS6 octahedra that share corners with three equivalent LaS4 tetrahedra and edges with six equivalent LaS6 octahedra. There are three shorter (2.83 Å) and three longer (2.97 Å) La–S bond lengths. In the second La3+ site, La3+ is bonded to four equivalent S+1.88- atoms to form corner-sharing LaS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All La–S bond lengths are 2.80 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted T-shaped geometry to three equivalent La3+ atoms. In the second S+1.88- site, S+1.88- is bonded to four La3+ atoms to form a mixture of distorted corner and edge-sharing SLa4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaS2 by Materials Project

LaS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.90–3.25 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S+1.50- atom. The S–S bond length is 2.14 Å.

36 MATERIALS SCIENCE↗