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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb2Mg3Ni2 by Materials Project

Mg3Tb2Ni2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four equivalent Mg and one Ni atom. All Mg–Mg bond lengths are 3.17 Å. The Mg–Ni bond length is 2.81 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight equivalent Mg and two equivalent Tb atoms. Both Mg–Tb bond lengths are 3.72 Å. Tb is bonded in a 6-coordinate geometry to one Mg and six equivalent Ni atoms. There are four shorter (2.79 Å) and two longer (2.95 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to one Mg, six equivalent Tb, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbMgNi by Materials Project

TbNiMg crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TbNiMg sheets oriented in the (0, 1, 0) direction. Mg is bonded in a distorted single-bond geometry to one Ni atom. The Mg–Ni bond length is 2.81 Å. Tb is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are four shorter (2.81 Å) and two longer (2.93 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to one Mg, six equivalent Tb, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb17Mg11Ni8 by Materials Project

Mg11Tb17Ni8 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Tb atoms. The Mg–Mg bond length is 3.10 Å. There are four shorter (3.32 Å) and four longer (3.46 Å) Mg–Tb bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Tb atoms. The Mg–Mg bond length is 3.10 Å. There are four shorter (3.32 Å) and four longer (3.50 Å) Mg–Tb bond lengths. In the third Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Tb atoms. The Mg–Mg bond length is 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.32–3.50 Å. In the fourth Mg site, Mg is bonded in a body-centered cubic geometry to eight Tb atoms. There are four shorter (3.27 Å) and four longer (3.28 Å) Mg–Tb bond lengths. In the fifth Mg site, Mg is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All Mg–Ni bond lengths are 2.95 Å. There are seven inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to six Mg and two equivalent Ni atoms. Both Tb–Ni bond lengths are 2.76 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to six Mg and two equivalent Ni atoms. Both Tb–Ni bond lengths are 2.76 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ni atoms. All Tb–Ni bond lengths are 2.91 Å. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ni atoms. All Tb–Ni bond lengths are 2.89 Å. In the fifth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ni atoms. All Tb–Ni bond lengths are 2.91 Å. In the sixth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ni atoms. All Tb–Ni bond lengths are 2.89 Å. In the seventh Tb site, Tb is bonded in a square co-planar geometry to four equivalent Ni atoms. All Tb–Ni bond lengths are 2.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to seven Tb atoms. In the second Ni site, Ni is bonded in a 7-coordinate geometry to one Mg and six Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb9Mg5Ni4 by Materials Project

Mg5Tb9Ni4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Tb atoms. The Mg–Mg bond length is 3.11 Å. There are four shorter (3.32 Å) and four longer (3.43 Å) Mg–Tb bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. All Mg–Tb bond lengths are 3.28 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to six Mg and two equivalent Ni atoms. Both Tb–Ni bond lengths are 2.76 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ni atoms. All Tb–Ni bond lengths are 2.92 Å. In the third Tb site, Tb is bonded in a square co-planar geometry to four equivalent Ni atoms. All Tb–Ni bond lengths are 2.94 Å. Ni is bonded in a 7-coordinate geometry to seven Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2MgNi2 by Materials Project

MgTb2Ni2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing MgTb8Ni4 cuboctahedra. All Mg–Tb bond lengths are 3.28 Å. All Mg–Ni bond lengths are 2.91 Å. Tb is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.84 Å) and four longer (2.88 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Tb, and one Ni atom. The Ni–Ni bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4MgNi by Materials Project

Tb4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tb atoms to form a mixture of face and corner-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.28–3.52 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Mg, ten Tb, and two equivalent Ni atoms. There are a spread of Tb–Tb bond distances ranging from 3.52–3.63 Å. Both Tb–Ni bond lengths are 3.52 Å. In the second Tb site, Tb is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Tb, and two equivalent Ni atoms. Both Tb–Ni bond lengths are 2.80 Å. In the third Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Tb, and three equivalent Ni atoms. All Tb–Ni bond lengths are 2.80 Å. Ni is bonded in a 6-coordinate geometry to nine Tb atoms.

36 MATERIALS SCIENCE↗