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12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3(GaNi3)2 by Materials Project

Tb3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.78 Å) and four longer (3.05 Å) Tb–Ni bond lengths. All Tb–Ga bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tb, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.58 Å) and two longer (2.90 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.49 Å. Ga is bonded to six equivalent Tb and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTb6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on TbGa2Ni3 by Materials Project

TbNi3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a hexagonal planar geometry to six Ni atoms. There are four shorter (2.80 Å) and two longer (2.81 Å) Tb–Ni bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni and six Ga atoms. There are a spread of Tb–Ni bond distances ranging from 3.05–3.24 Å. All Tb–Ga bond lengths are 3.06 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Tb, four equivalent Ni, and four equivalent Ga atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. All Ni–Ga bond lengths are 2.55 Å. In the second Ni site, Ni is bonded to four equivalent Tb, four Ni, and four equivalent Ga atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.48 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.56 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to three Tb, two equivalent Ni, and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.43 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to three Tb, two Ni, and four Ga atoms. All Ni–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Tb and six Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Tb and six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Tb2GaNi2 by Materials Project

Tb2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.85 Å) and four longer (2.95 Å) Tb–Ni bond lengths. There are two shorter (3.14 Å) and two longer (3.24 Å) Tb–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of edge and face-sharing GaTb8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Tb6GaNi2 by Materials Project

Tb6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.79 Å) and one longer (3.25 Å) Tb–Ni bond lengths. There are one shorter (3.00 Å) and one longer (3.26 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.69 Å) and two longer (2.87 Å) Tb–Ni bond lengths. The Tb–Ga bond length is 3.37 Å. In the third Tb site, Tb is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.91 Å) and one longer (3.14 Å) Tb–Ni bond lengths. There are one shorter (3.19 Å) and one longer (3.63 Å) Tb–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Tb and one Ni atom. The Ni–Ni bond length is 2.75 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Tb and one Ni atom. The Ni–Ni bond length is 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Tb atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGaNi by Materials Project

TbNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ga atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–3.27 Å. There are a spread of Tb–Ga bond distances ranging from 3.01–3.10 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.51–2.66 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4Ga21Ni10 by Materials Project

Tb4Ni10Ga21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are two shorter (3.03 Å) and two longer (3.14 Å) Tb–Ni bond lengths. There are a spread of Tb–Ga bond distances ranging from 2.87–3.41 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to four Ni and ten Ga atoms. There are two shorter (3.06 Å) and two longer (3.18 Å) Tb–Ni bond lengths. There are a spread of Tb–Ga bond distances ranging from 2.89–3.21 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tb, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.76 Å. There are a spread of Ni–Ga bond distances ranging from 2.46–2.57 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.60 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tb, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.41–2.57 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tb and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.78 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Tb and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.37–2.62 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Tb, three Ni, and two Ga atoms. There are one shorter (2.59 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tb, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.86–2.92 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tb, three equivalent Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–3.08 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Tb, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the fifth Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Tb, three Ni, and two Ga atoms. There are one shorter (2.67 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to three Tb, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.92 Å. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to one Tb, four Ni, and five Ga atoms. There are two shorter (2.77 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to one Tb, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.94 Å. In the ninth Ga site, Ga is bonded in a 5-coordinate geometry to two Tb, five Ni, and two Ga atoms. In the tenth Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. In the eleventh Ga site, Ga is bonded in a 12-coordinate geometry to three Tb, four Ni, and five Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on TbGa3Ni by Materials Project

TbNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Tb–Ni bond lengths are 3.27 Å. There are a spread of Tb–Ga bond distances ranging from 3.08–3.30 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Tb and five Ga atoms. There are one shorter (2.29 Å) and four longer (2.37 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Tb, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Tb, one Ni, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on TbGa3Ni by Materials Project

TbNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Tb–Ni bond lengths are 3.35 Å. There are eight shorter (3.12 Å) and four longer (3.35 Å) Tb–Ga bond lengths. Ni is bonded to four equivalent Tb and eight Ga atoms to form distorted NiTb4Ga8 cuboctahedra that share corners with four equivalent GaTb4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiTb4Ga8 cuboctahedra, edges with two equivalent GaTb4Ga4Ni4 cuboctahedra, faces with four equivalent NiTb4Ga8 cuboctahedra, and faces with four equivalent GaTb4Ga4Ni4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.87 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tb, two equivalent Ni, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.48 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tb, four equivalent Ni, and four equivalent Ga atoms to form GaTb4Ga4Ni4 cuboctahedra that share corners with four equivalent NiTb4Ga8 cuboctahedra, corners with twelve equivalent GaTb4Ga4Ni4 cuboctahedra, edges with two equivalent NiTb4Ga8 cuboctahedra, faces with four equivalent NiTb4Ga8 cuboctahedra, and faces with four equivalent GaTb4Ga4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGa2Ni by Materials Project

TbNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (3.02 Å) Tb–Ni bond lengths. There are a spread of Tb–Ga bond distances ranging from 2.98–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.51 Å. Ga is bonded in a 12-coordinate geometry to five equivalent Tb and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on TbGaNi4 by Materials Project

TbNi4Ga crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.68 Å) and twelve longer (3.31 Å) Tb–Ni bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Ga atoms. There are six shorter (2.99 Å) and six longer (3.04 Å) Tb–Ni bond lengths. All Tb–Ga bond lengths are 3.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three Tb, six Ni, and two equivalent Ga atoms. There are four shorter (2.44 Å) and two longer (2.68 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.39 Å. In the second Ni site, Ni is bonded to four Tb, six Ni, and two equivalent Ga atoms to form distorted NiTb4Ga2Ni6 cuboctahedra that share corners with four equivalent GaTb4Ni8 cuboctahedra, corners with fourteen equivalent NiTb4Ga2Ni6 cuboctahedra, edges with five equivalent NiTb4Ga2Ni6 cuboctahedra, faces with six equivalent GaTb4Ni8 cuboctahedra, and faces with seven equivalent NiTb4Ga2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.63 Å. Both Ni–Ga bond lengths are 2.61 Å. Ga is bonded to four equivalent Tb and eight Ni atoms to form distorted GaTb4Ni8 cuboctahedra that share corners with eight equivalent NiTb4Ga2Ni6 cuboctahedra, corners with eight equivalent GaTb4Ni8 cuboctahedra, faces with six equivalent GaTb4Ni8 cuboctahedra, and faces with twelve equivalent NiTb4Ga2Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Materials Data on TbGa4Ni by Materials Project

TbNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Tb–Ni bond lengths are 3.16 Å. There are a spread of Tb–Ga bond distances ranging from 2.90–3.35 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tb and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Tb and six Ga atoms. There are two shorter (2.85 Å) and four longer (2.86 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Tb, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 3.00 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tb, three equivalent Ni, and six Ga atoms. There are one shorter (2.60 Å) and two longer (2.94 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on TbGaNi by Materials Project

TbNiGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Ga atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–3.03 Å. There are a spread of Tb–Ga bond distances ranging from 3.02–3.16 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Tb, one Ni, and three equivalent Ga atoms. The Ni–Ni bond length is 2.52 Å. There are two shorter (2.48 Å) and one longer (2.59 Å) Ni–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ni, and one Ga atom. The Ga–Ga bond length is 2.79 Å.

36 MATERIALS SCIENCE↗