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At least 145 records · Page 8
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DOE OSTI2020

Materials Data on Tb(FeP3)4 by Materials Project

TbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Tb3+ is bonded to twelve equivalent P1- atoms to form TbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Tb–P bond lengths are 2.98 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 TbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Tb3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.35 Å) P–P bond lengths.

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DOE OSTI2020

Materials Data on Tb(CoSi)2 by Materials Project

TbCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.02 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.52 Å.

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Materials Data on Tb(CuSi)2 by Materials Project

TbCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.05 Å. Cu2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Cu2+, and one Si4- atom. The Si–Si bond length is 2.35 Å.

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DOE OSTI2020

Materials Data on Tb(SiRu)2 by Materials Project

TbRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.22 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.38 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Ru+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(CoB)2 by Materials Project

TbCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Tb–B bond lengths are 2.90 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Co+1.50+ atoms.

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DOE OSTI2020

Materials Data on Tb(SiPd)2 by Materials Project

TbPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.17 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.33 Å.

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DOE OSTI2020

Materials Data on Tb(SiNi)2 by Materials Project

TbNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.06 Å. Ni2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.42 Å.

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DOE OSTI2020

Materials Data on Tb(SiAg)2 by Materials Project

TbAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.16 Å. Ag2+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Ag2+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

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DOE OSTI2020

Materials Data on Tb(FeSi)2 by Materials Project

TbFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.09 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.58 Å.

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Materials Data on Tb(SiOs)2 by Materials Project

TbOs2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Tb–Os bond lengths are 3.20 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Tb3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.49 Å.

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Materials Data on Tb(NiP)2 by Materials Project

TbNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Tb–P bond lengths are 2.98 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 2.28 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Ni+1.50+, and one P3- atom. The P–P bond length is 2.32 Å.

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DOE OSTI2020

Materials Data on Tb(MnSi)2 by Materials Project

TbMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.03 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.37 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

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Materials Data on Tb(SiAu)2 by Materials Project

TbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.23 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

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DOE OSTI2020

Materials Data on Tb(CrSi)2 by Materials Project

TbCr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.00 Å. Cr+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CrSi4 tetrahedra. All Cr–Si bond lengths are 2.41 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Cr+2.50+, and one Si4- atom. The Si–Si bond length is 2.48 Å.

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DOE OSTI2020

Materials Data on Tb(CuS)3 by Materials Project

TbCu3S3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent TbS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Tb–S bond lengths are 2.75 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent TbS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent TbS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.32–2.41 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Tb3+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(BIr)2 by Materials Project

Tb(IrB)2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of four terbium molecules and eight IrB clusters. In each IrB cluster, Ir is bonded in a single-bond geometry to one B atom. The Ir–B bond length is 1.78 Å. B is bonded in a single-bond geometry to one Ir atom.

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DOE OSTI2020

Materials Data on Tb(Mo3S4)2 by Materials Project

TbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.73 Å) and six longer (3.00 Å) Tb–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Tb3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Tb3+ and four equivalent Mo+2.17+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tb(BC)2 by Materials Project

TbB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight equivalent C2- atoms. All Tb–C bond lengths are 2.72 Å. B is bonded in a 2-coordinate geometry to one B and two equivalent C2- atoms. The B–B bond length is 1.64 Å. Both B–C bond lengths are 1.61 Å. C2- is bonded in a 2-coordinate geometry to four equivalent Tb4+, two equivalent B, and one C2- atom. The C–C bond length is 1.43 Å.

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