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At least 757 records · Page 42
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DOE OSTI2020

Materials Data on Tb2IrRu by Materials Project

Tb2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Tb–Ru bond lengths are 2.97 Å. All Tb–Ir bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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Materials Data on TbCuGe by Materials Project

TbCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing TbCu6Ge6 cuboctahedra. There are three shorter (2.95 Å) and three longer (3.19 Å) Tb–Cu bond lengths. There are three shorter (2.97 Å) and three longer (3.17 Å) Tb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms.

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Materials Data on TbGa2Pd by Materials Project

TbPdGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to five equivalent Pd and ten equivalent Ga atoms. There are a spread of Tb–Pd bond distances ranging from 2.95–3.49 Å. There are a spread of Tb–Ga bond distances ranging from 3.02–3.40 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Tb and six equivalent Ga atoms. There are two shorter (2.68 Å) and four longer (2.69 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Tb, three equivalent Pd, and two equivalent Ga atoms. There are one shorter (2.60 Å) and one longer (2.67 Å) Ga–Ga bond lengths.

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Materials Data on TbAgHg2 by Materials Project

TbAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Tb–Ag bond lengths are 3.56 Å. All Tb–Hg bond lengths are 3.09 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Ag atoms.

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Materials Data on TbCdAg2 by Materials Project

TbAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent Cd atoms. All Tb–Ag bond lengths are 3.04 Å. All Tb–Cd bond lengths are 3.52 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.04 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Tb and eight equivalent Ag atoms.

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Materials Data on Tb2AgIr by Materials Project

Tb2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Tb–Ir bond lengths are 3.06 Å. All Tb–Ag bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.

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Materials Data on TbCuSn by Materials Project

TbCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing TbCu6Sn6 cuboctahedra. All Tb–Cu bond lengths are 3.23 Å. All Tb–Sn bond lengths are 3.23 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.62 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms.

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Materials Data on TbGeAu by Materials Project

TbAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are three shorter (3.04 Å) and three longer (3.33 Å) Tb–Au bond lengths. There are three shorter (3.00 Å) and three longer (3.38 Å) Tb–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ge atoms. There are three shorter (2.65 Å) and one longer (3.11 Å) Au–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Au atoms.

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Materials Data on TbSbPd by Materials Project

TbPdSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Pd and six equivalent Sb atoms to form a mixture of edge and face-sharing TbSb6Pd6 cuboctahedra. All Tb–Pd bond lengths are 3.26 Å. All Tb–Sb bond lengths are 3.26 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sb atoms. All Pd–Sb bond lengths are 2.65 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Pd atoms.

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Materials Data on TbGaI by Materials Project

TbGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TbGaI sheet oriented in the (0, 0, 1) direction. Tb is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted edge and face-sharing TbGa6I3 octahedra. There are three shorter (2.95 Å) and three longer (3.40 Å) Tb–Ga bond lengths. All Tb–I bond lengths are 3.15 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.53 Å. I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

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Materials Data on TbGe3 by Materials Project

TbGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.97–3.27 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five equivalent Ge atoms. There are one shorter (2.50 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five equivalent Ge atoms.

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Materials Data on Tb2CBr by Materials Project

Tb2CBr is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to three equivalent C and three equivalent Br atoms to form a mixture of distorted corner, edge, and face-sharing TbC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. All Tb–C bond lengths are 2.49 Å. All Tb–Br bond lengths are 3.12 Å. C is bonded to six equivalent Tb atoms to form edge-sharing CTb6 octahedra. Br is bonded in a 6-coordinate geometry to six equivalent Tb atoms.

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Materials Data on TbCuSn by Materials Project

TbCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.96 Å) and three longer (3.50 Å) Tb–Cu bond lengths. There are three shorter (3.12 Å) and three longer (3.29 Å) Tb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.05 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Cu atoms.

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Materials Data on TbPd2Pb by Materials Project

TbPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Tb–Pd bond lengths are 2.99 Å. All Tb–Pb bond lengths are 3.46 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Pd atoms.

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Materials Data on TbAlPt by Materials Project

TbPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Tb–Pt bond distances ranging from 2.87–3.12 Å. There are a spread of Tb–Al bond distances ranging from 3.08–3.28 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.67 Å. Al is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Pt atoms.

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Materials Data on Tb2Sc3Si4 by Materials Project

Tb2Sc3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb+3.50+ is bonded to seven Si4- atoms to form distorted TbSi7 pentagonal bipyramids that share corners with four equivalent ScSi6 octahedra, corners with six equivalent TbSi7 pentagonal bipyramids, corners with five equivalent ScSi6 pentagonal pyramids, edges with two equivalent TbSi7 pentagonal bipyramids, edges with three equivalent ScSi6 pentagonal pyramids, faces with two equivalent ScSi6 octahedra, faces with three equivalent TbSi7 pentagonal bipyramids, and faces with three equivalent ScSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Tb–Si bond distances ranging from 2.94–3.34 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Si4- atoms to form ScSi6 octahedra that share corners with four equivalent ScSi6 octahedra, corners with eight equivalent TbSi7 pentagonal bipyramids, corners with six equivalent ScSi6 pentagonal pyramids, faces with four equivalent TbSi7 pentagonal bipyramids, and faces with four equivalent ScSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are a spread of Sc–Si bond distances ranging from 2.80–2.97 Å. In the second Sc3+ site, Sc3+ is bonded to six Si4- atoms to form distorted ScSi6 pentagonal pyramids that share corners with three equivalent ScSi6 octahedra, corners with five equivalent TbSi7 pentagonal bipyramids, corners with four equivalent ScSi6 pentagonal pyramids, edges with three equivalent TbSi7 pentagonal bipyramids, edges with three equivalent ScSi6 pentagonal pyramids, faces with two equivalent ScSi6 octahedra, faces with three equivalent TbSi7 pentagonal bipyramids, and a faceface with one ScSi6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of Sc–Si bond distances ranging from 2.73–2.85 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to two equivalent Tb+3.50+, six Sc3+, and one Si4- atom. The Si–Si bond length is 2.55 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Tb+3.50+, four Sc3+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Tb+3.50+, four Sc3+, and one Si4- atom. The Si–Si bond length is 2.54 Å.

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Materials Data on Tb2InNi2 by Materials Project

Tb2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.83 Å) and two longer (2.93 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–In bond length is 2.84 Å. In is bonded in a distorted q6 geometry to eight equivalent Tb and two equivalent Ni atoms.

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Materials Data on TbEu4S5 by Materials Project

TbEu4S5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to six S atoms to form TbS6 octahedra that share corners with two equivalent EuS6 octahedra, corners with four equivalent TbS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.79 Å) and four longer (2.89 Å) Tb–S bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share corners with six EuS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight EuS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Eu–S bond distances ranging from 2.87–2.90 Å. In the second Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share a cornercorner with one TbS6 octahedra, corners with five EuS6 octahedra, and edges with twelve EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Eu–S bond distances ranging from 2.89–2.98 Å. There are five inequivalent S sites. In the first S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second S site, S is bonded to four equivalent Tb and two equivalent Eu atoms to form STb4Eu2 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third S site, S is bonded to six Eu atoms to form a mixture of edge and corner-sharing SEu6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.89 Å) and one longer (2.98 Å) S–Eu bond lengths. In the fifth S site, S is bonded to six Eu atoms to form SEu6 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of S–Eu bond distances ranging from 2.89–2.91 Å.

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