Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “La”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AcLa3 by Materials Project

AcLa3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with six equivalent AcLa12 cuboctahedra, corners with twelve LaAc4La8 cuboctahedra, edges with eighteen LaAc4La8 cuboctahedra, faces with eight equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra. There are six shorter (3.82 Å) and six longer (3.85 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen equivalent LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.75–3.89 Å. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La15(NiO4)8 by Materials Project

La15(NiO4)8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eleven inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.94 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.82 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.80 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.85 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.87 Å. In the sixth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.81 Å. In the seventh La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.81 Å. In the eighth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.75 Å. In the ninth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.77 Å. In the tenth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.90 Å. In the eleventh La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.78 Å. There are six inequivalent Ni+2.38+ sites. In the first Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. There are a spread of Ni–O bond distances ranging from 1.91–2.31 Å. In the second Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–15°. There are a spread of Ni–O bond distances ranging from 1.94–2.33 Å. In the third Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Ni–O bond distances ranging from 1.94–2.24 Å. In the fourth Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Ni–O bond distances ranging from 1.92–2.37 Å. In the fifth Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Ni–O bond distances ranging from 1.94–2.26 Å. In the sixth Ni+2.38+ site, Ni+2.38+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are a spread of Ni–O bond distances ranging from 1.95–2.19 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ and one Ni+2.38+ atom to form distorted OLa4Ni square pyramids that share corners with eight OLa4Ni2 octahedra, corners with seven OLa4Ni square pyramids, edges with two equivalent OLa5Ni octahedra, faces with two equivalent OLa4Ni2 octahedra, and faces with two equivalent OLa3Ni2 square pyramids. The corner-sharing octahedra tilt angles range from 12–56°. In the second O2- site, O2- is bonded to three La3+ and two Ni+2.38+ atoms to form distorted OLa3Ni2 square pyramids that share corners with six OLa4Ni2 octahedra, corners with three OLa3Ni2 square pyramids, an edgeedge with one OLa4Ni2 octahedra, edges with four OLa4Ni square pyramids, faces with two OLa4Ni2 octahedra, and a faceface with one OLa4Ni square pyramid. The corner-sharing octahedra tilt angles range from 6–54°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+2.38+ atom. In the fourth O2- site, O2- is bonded to three La3+ and two Ni+2.38+ atoms to form distorted OLa3Ni2 square pyramids that share corners with three OLa5Ni octahedra, corners with three OLa4Ni square pyramids, an edgeedge with one OLa4Ni2 octahedra, edges with four OLa3Ni2 square pyramids, and faces with two OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 10–50°. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+2.38+ atom. In the sixth O2- site, O2- is bonded to four La3+ and one Ni+2.38+ atom to form distorted OLa4Ni square pyramids that share corners with seven OLa4Ni2 octahedra, corners with seven OLa4Ni square pyramids, edges with two equivalent OLa3Ni2 square pyramids, and faces with two equivalent OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 20–55°. In the seventh O2- site, O2- is bonded to five La3+ and one Ni+2.38+ atom to form distorted OLa5Ni octahedra that share corners with eleven OLa4Ni2 octahedra, corners with three OLa3Ni2 square pyramids, edges with two OLa5Ni octahedra, edges with three OLa4Ni square pyramids, and faces with four OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 20–52°. In the eighth O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with four OLa4Ni2 octahedra, corners with five OLa4Ni square pyramids, edges with two OLa4Ni2 octahedra, faces with five OLa4Ni2 octahedra, and faces with two OLa3Ni2 square pyramids. The corner-sharing octahedra tilt angles range from 1–52°. In the ninth O2- site, O2- is bonded to four La3+ and one Ni+2.38+ atom to form distorted OLa4Ni square pyramids that share corners with nine OLa4Ni2 octahedra, corners with five OLa4Ni square pyramids, edges with three OLa5Ni octahedra, edges with two OLa3Ni2 square pyramids, and faces with two OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. In the tenth O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with five OLa5Ni octahedra, corners with four OLa4Ni square pyramids, edges with two OLa4Ni2 octahedra, faces with four OLa4Ni2 octahedra, and faces with three OLa4Ni square pyramids. The corner-sharing octahedra tilt angles range from 3–54°. In the eleventh O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with five OLa5Ni octahedra, corners with two OLa3Ni2 square pyramids, edges with two OLa4Ni2 octahedra, faces with four OLa4Ni2 octahedra, and faces with two OLa3Ni2 square pyramids. The corner-sharing octahedra tilt angles range from 3–52°. In the twelfth O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+2.38+ atom. In the thirteenth O2- site, O2- is bonded to five La3+ and one Ni+2.38+ atom to form distorted OLa5Ni octahedra that share corners with eleven OLa4Ni2 octahedra, corners with four OLa4Ni square pyramids, edges with three OLa5Ni octahedra, edges with two equivalent OLa4Ni square pyramids, and faces with four OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 1–54°. In the fourteenth O2- site, O2- is bonded to five La3+ and one Ni+2.38+ atom to form distorted OLa5Ni octahedra that share corners with eleven OLa4Ni2 octahedra, corners with five OLa4Ni square pyramids, edges with three OLa5Ni octahedra, edges with two equivalent OLa4Ni square pyramids, and faces with four OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 1–53°. In the fifteenth O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with five OLa4Ni2 octahedra, corners with five OLa4Ni square pyramids, an edgeedge with one OLa4Ni2 octahedra, an edgeedge with one OLa3Ni2 square pyramid, and faces with seven OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 1–51°. In the sixteenth O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with five OLa4Ni2 octahedra, corners with three OLa3Ni2 square pyramids, edges with two OLa4Ni2 octahedra, faces with three OLa4Ni2 octahedra, and faces with two OLa3Ni2 square pyramids. The corner-sharing octahedra tilt angles range from 3–52°. In the seventeenth O2- site, O2- is bonded to four La3+ and two Ni+2.38+ atoms to form distorted OLa4Ni2 octahedra that share corners with three OLa4Ni2 octahedra, corners with five OLa4Ni square pyramids, an edgeedge with one OLa4Ni2 octahedra, an edgeedge with one OLa3Ni2 square pyramid, and faces with five OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 3–52°. In the eighteenth O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+2.38+ atom. In the nineteenth O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Ni+2.38+ atom. In the twentieth O2- site, O2- is bonded to four La3+ and one Ni+2.38+ atom to form distorted OLa4Ni square pyramids that share corners with twelve OLa4Ni2 octahedra, corners with four OLa4Ni square pyramids, edges with two equivalent OLa5Ni octahedra, edges with two equivalent OLa3Ni2 square pyramids, and faces with two equivalent OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 22–55°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaB5HO10 by Materials Project

LaB5HO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.41–2.89 Å. There are five inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the fifth B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.48 Å) and one longer (1.49 Å) B–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one B atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one La and two B atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one La, one B, and one H atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one La and two B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one La and two B atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one La and two B atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to one La and two B atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two equivalent La and two B atoms. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one La and two B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5B3O13 by Materials Project

La5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.30–2.65 Å. In the second La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.48–2.77 Å. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.48–1.50 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent La atoms. In the second O site, O is bonded in a distorted single-bond geometry to three La and one B atom. In the third O site, O is bonded in a distorted single-bond geometry to three La and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three La and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Eu by Materials Project

EuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve La atoms to form EuLa12 cuboctahedra that share corners with four equivalent EuLa12 cuboctahedra, corners with eight equivalent LaLa8Eu4 cuboctahedra, edges with eight equivalent EuLa12 cuboctahedra, edges with sixteen equivalent LaLa8Eu4 cuboctahedra, faces with four equivalent EuLa12 cuboctahedra, and faces with fourteen LaLa8Eu4 cuboctahedra. There are four shorter (3.76 Å) and eight longer (3.78 Å) Eu–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Eu and eight La atoms to form LaLa8Eu4 cuboctahedra that share corners with twelve equivalent LaLa8Eu4 cuboctahedra, edges with eight equivalent EuLa12 cuboctahedra, edges with sixteen LaLa8Eu4 cuboctahedra, faces with four equivalent EuLa12 cuboctahedra, and faces with fourteen LaLa8Eu4 cuboctahedra. There are four shorter (3.76 Å) and four longer (3.78 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Eu and eight equivalent La atoms to form LaLa8Eu4 cuboctahedra that share corners with four equivalent LaLa8Eu4 cuboctahedra, corners with eight equivalent EuLa12 cuboctahedra, edges with twenty-four LaLa8Eu4 cuboctahedra, faces with six equivalent EuLa12 cuboctahedra, and faces with twelve LaLa8Eu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Mg by Materials Project

La2Mg crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to ten La atoms to form distorted MgLa10 cuboctahedra that share corners with four equivalent MgLa10 cuboctahedra, corners with fourteen LaLa7Mg5 cuboctahedra, edges with six equivalent LaLa7Mg5 cuboctahedra, edges with ten equivalent MgLa10 cuboctahedra, faces with four equivalent MgLa10 cuboctahedra, and faces with fourteen LaLa7Mg5 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.53–3.61 Å. There are two inequivalent La sites. In the first La site, La is bonded to five equivalent Mg and seven La atoms to form LaLa7Mg5 cuboctahedra that share corners with seven equivalent MgLa10 cuboctahedra, corners with twelve equivalent LaLa7Mg5 cuboctahedra, edges with three equivalent MgLa10 cuboctahedra, edges with fourteen LaLa7Mg5 cuboctahedra, faces with seven equivalent MgLa10 cuboctahedra, and faces with twelve LaLa7Mg5 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.60 Å. In the second La site, La is bonded to five equivalent Mg and seven equivalent La atoms to form LaLa7Mg5 cuboctahedra that share corners with seven equivalent MgLa10 cuboctahedra, corners with twelve LaLa7Mg5 cuboctahedra, edges with three equivalent MgLa10 cuboctahedra, edges with fourteen LaLa7Mg5 cuboctahedra, faces with seven equivalent MgLa10 cuboctahedra, and faces with twelve equivalent LaLa7Mg5 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2BiN by Materials Project

La2BiN crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to four equivalent Bi and four equivalent N atoms to form a mixture of distorted face and edge-sharing LaBi4N4 trigonal pyramids. All La–Bi bond lengths are 3.76 Å. All La–N bond lengths are 2.56 Å. In the second La site, La is bonded in a single-bond geometry to five equivalent Bi and one N atom. There are four shorter (3.43 Å) and one longer (3.55 Å) La–Bi bond lengths. The La–N bond length is 2.26 Å. Bi is bonded to nine La atoms to form a mixture of distorted face, edge, and corner-sharing BiLa9 square pyramids. N is bonded in a 5-coordinate geometry to five La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLa(SeO5)2 by Materials Project

NaLa(SeO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.39–2.96 Å. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.39–2.85 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.66 Å) and three longer (1.68 Å) Se–O bond length. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.70 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Se atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one La, and one Se atom. In the third O site, O is bonded in a 2-coordinate geometry to one Na, one La, and one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Se atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one La, and one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one La atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Na, one La, and one Se atom. In the eighth O site, O is bonded in a single-bond geometry to one La atom. In the ninth O site, O is bonded in a 2-coordinate geometry to one Na, one La, and one Se atom. In the tenth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one La, and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2NiPt by Materials Project

La2PtNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ni atoms. All La–Pt bond lengths are 3.05 Å. There are one shorter (3.07 Å) and two longer (3.16 Å) La–Ni bond lengths. In the second La site, La is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Ni atoms. There are two shorter (3.11 Å) and one longer (3.14 Å) La–Pt bond lengths. All La–Ni bond lengths are 3.03 Å. Pt is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.90 Å. Ni is bonded in a 9-coordinate geometry to seven La and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Sn7 by Materials Project

La3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.59 Å. In the second La site, La is bonded to twelve Sn atoms to form a mixture of corner and face-sharing LaSn12 cuboctahedra. There are a spread of La–Sn bond distances ranging from 3.31–3.45 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four La atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four La atoms. In the fourth Sn site, Sn is bonded in a square co-planar geometry to four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5Ir2 by Materials Project

La5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.82–3.73 Å. In the second La site, La is bonded to four equivalent Ir atoms to form distorted edge-sharing LaIr4 tetrahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) La–Ir bond lengths. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.92–3.33 Å. Ir is bonded in a 7-coordinate geometry to eight La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4SbTe7 by Materials Project

La4SbTe7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent La+2.75+ sites. In the first La+2.75+ site, La+2.75+ is bonded to seven Te2- atoms to form a mixture of distorted edge, face, and corner-sharing LaTe7 pentagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.31–3.46 Å. In the second La+2.75+ site, La+2.75+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of La–Te bond distances ranging from 3.31–3.42 Å. Sb3+ is bonded in a square co-planar geometry to four equivalent Te2- atoms. All Sb–Te bond lengths are 3.20 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five La+2.75+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the second Te2- site, Te2- is bonded to five La+2.75+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent La+2.75+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.20 Å. In the fourth Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent La+2.75+ and four equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Ir2 by Materials Project

La3Ir2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Ir atoms. All La–Ir bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ir atoms. There are three shorter (2.95 Å) and three longer (3.17 Å) La–Ir bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.95–3.37 Å. Ir is bonded in a 8-coordinate geometry to eight La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3(ZnPt)4 by Materials Project

La3(PtZn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to six Pt atoms to form edge-sharing LaPt6 octahedra. There are four shorter (3.09 Å) and two longer (3.15 Å) La–Pt bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to six Pt and six equivalent Zn atoms. There are two shorter (3.06 Å) and four longer (3.17 Å) La–Pt bond lengths. There are four shorter (3.19 Å) and two longer (3.22 Å) La–Zn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three La and six equivalent Zn atoms. There are four shorter (2.63 Å) and two longer (2.81 Å) Pt–Zn bond lengths. In the second Pt site, Pt is bonded in a 8-coordinate geometry to six La and two equivalent Zn atoms. Both Pt–Zn bond lengths are 2.65 Å. Zn is bonded in a 4-coordinate geometry to three equivalent La and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Tb by Materials Project

TbLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve La atoms to form TbLa12 cuboctahedra that share corners with four equivalent TbLa12 cuboctahedra, corners with eight equivalent LaLa8Tb4 cuboctahedra, edges with eight equivalent TbLa12 cuboctahedra, edges with sixteen equivalent LaLa8Tb4 cuboctahedra, faces with four equivalent TbLa12 cuboctahedra, and faces with fourteen LaLa8Tb4 cuboctahedra. There are four shorter (3.70 Å) and eight longer (3.72 Å) Tb–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Tb and eight La atoms to form LaLa8Tb4 cuboctahedra that share corners with twelve equivalent LaLa8Tb4 cuboctahedra, edges with eight equivalent TbLa12 cuboctahedra, edges with sixteen LaLa8Tb4 cuboctahedra, faces with four equivalent TbLa12 cuboctahedra, and faces with fourteen LaLa8Tb4 cuboctahedra. There are four shorter (3.70 Å) and four longer (3.72 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Tb and eight equivalent La atoms to form LaLa8Tb4 cuboctahedra that share corners with four equivalent LaLa8Tb4 cuboctahedra, corners with eight equivalent TbLa12 cuboctahedra, edges with twenty-four LaLa8Tb4 cuboctahedra, faces with six equivalent TbLa12 cuboctahedra, and faces with twelve LaLa8Tb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Ho by Materials Project

HoLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve La atoms to form HoLa12 cuboctahedra that share corners with four equivalent HoLa12 cuboctahedra, corners with eight equivalent LaLa8Ho4 cuboctahedra, edges with eight equivalent HoLa12 cuboctahedra, edges with sixteen equivalent LaLa8Ho4 cuboctahedra, faces with four equivalent HoLa12 cuboctahedra, and faces with fourteen LaLa8Ho4 cuboctahedra. There are four shorter (3.70 Å) and eight longer (3.71 Å) Ho–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ho and eight La atoms to form LaLa8Ho4 cuboctahedra that share corners with twelve equivalent LaLa8Ho4 cuboctahedra, edges with eight equivalent HoLa12 cuboctahedra, edges with sixteen LaLa8Ho4 cuboctahedra, faces with four equivalent HoLa12 cuboctahedra, and faces with fourteen LaLa8Ho4 cuboctahedra. There are four shorter (3.70 Å) and four longer (3.71 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ho and eight equivalent La atoms to form LaLa8Ho4 cuboctahedra that share corners with four equivalent LaLa8Ho4 cuboctahedra, corners with eight equivalent HoLa12 cuboctahedra, edges with twenty-four LaLa8Ho4 cuboctahedra, faces with six equivalent HoLa12 cuboctahedra, and faces with twelve LaLa8Ho4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li6La3(SbO6)2 by Materials Project

Li6La3(SbO6)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.74 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.67 Å. There are two inequivalent La+2.67+ sites. In the first La+2.67+ site, La+2.67+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.72 Å. In the second La+2.67+ site, La+2.67+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.72 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. All Sb–O bond lengths are 2.17 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six O2- atoms. All Sb–O bond lengths are 2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three Li1+, two equivalent La+2.67+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Li1+, two equivalent La+2.67+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to three Li1+, two equivalent La+2.67+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to three Li1+, two equivalent La+2.67+, and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La7Pd3 by Materials Project

La7Pd3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Pd atoms. All La–Pd bond lengths are 3.04 Å. In the second La site, La is bonded in a distorted water-like geometry to two equivalent Pd atoms. Both La–Pd bond lengths are 2.98 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Pd atoms. There are two shorter (3.01 Å) and one longer (3.13 Å) La–Pd bond lengths. Pd is bonded in a 6-coordinate geometry to six La atoms.

36 MATERIALS SCIENCE↗