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At least 343 records · Page 19
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DOE OSTI2020

Materials Data on La(BO2)3 by Materials Project

LaB3O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.88 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.46 Å) and two longer (1.50 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one B3+ atom.

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Materials Data on La(SiPd)2 by Materials Project

LaPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.27 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.51 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.

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DOE OSTI2020

Materials Data on La(MnSi)2 by Materials Project

LaMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.15 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.73 Å.

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Materials Data on La(SiRu)2 by Materials Project

LaRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.31 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Ru+2.50+ atoms.

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Materials Data on La(CoSi)2 by Materials Project

LaCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.14 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.81 Å.

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Materials Data on La(BO2)3 by Materials Project

LaB3O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.75 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.55 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.55 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent La3+ and two B3+ atoms.

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Materials Data on La(AsRu)2 by Materials Project

LaRu2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All La–As bond lengths are 3.31 Å. Ru2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.45 Å. As3- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Ru2+, and one As3- atom. The As–As bond length is 2.84 Å.

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Materials Data on La(CoAs)2 by Materials Project

LaCo2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All La–As bond lengths are 3.22 Å. Co+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.35 Å. As3- is bonded in a 9-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms.

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Materials Data on La(AsPd)2 by Materials Project

LaPd2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent As3- atoms to form LaAs8 hexagonal bipyramids that share corners with sixteen equivalent PdAs4 tetrahedra, edges with four equivalent LaAs8 hexagonal bipyramids, edges with eight equivalent PdAs4 tetrahedra, and faces with four equivalent LaAs8 hexagonal bipyramids. All La–As bond lengths are 3.34 Å. Pd2+ is bonded to four equivalent As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent LaAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent LaAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. All Pd–As bond lengths are 2.57 Å. As3- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd2+, and one As3- atom. The As–As bond length is 2.54 Å.

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Materials Data on La(FeP3)4 by Materials Project

LaFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent P1- atoms to form LaP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All La–P bond lengths are 3.01 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent LaP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.25 Å. P1- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.29 Å) and one longer (2.38 Å) P–P bond lengths.

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Materials Data on La(SiNi)2 by Materials Project

LaNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.18 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.35 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.56 Å.

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Materials Data on La(NiAs)2 by Materials Project

LaNi2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All La–As bond lengths are 3.23 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.38 Å. As3- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.71 Å.

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Materials Data on La(FeP)2 by Materials Project

LaFe2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All La–P bond lengths are 3.16 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.20 Å. P3- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Fe2+ atoms.

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DOE OSTI2020

Materials Data on La(BC)2 by Materials Project

LaB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All La–C bond lengths are 2.86 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.62 Å. C4- is bonded in a 2-coordinate geometry to four equivalent La2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(NiP)2 by Materials Project

LaNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All La–P bond lengths are 3.09 Å. Ni+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.51 Å.

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Materials Data on La(PdO2)2 by Materials Project

LaPd2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.47 Å) and four longer (2.59 Å) La–O bond lengths. Pd3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pd–O bond lengths. O2- is bonded to two equivalent La2+ and two equivalent Pd3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Pd2 tetrahedra.

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Materials Data on La(PRu)2 by Materials Project

LaRu2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All La–P bond lengths are 3.26 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.34 Å. P3- is bonded in a 8-coordinate geometry to four equivalent La2+ and four equivalent Ru2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(SiPt)2 by Materials Project

LaPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.32 Å. Pt3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Pt–Si bond lengths are 2.45 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Pt3+ atoms.

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