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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.61 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.60 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent TbTb8Pr4 cuboctahedra, corners with eight equivalent PrTb12 cuboctahedra, edges with twenty-four TbTb8Pr4 cuboctahedra, faces with six equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra. All Tb–Pr bond lengths are 3.61 Å. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with eight equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with fourteen TbTb8Pr4 cuboctahedra, edges with six equivalent PrTb12 cuboctahedra, edges with twelve TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with sixteen TbTb8Pr4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.60–3.67 Å. There are two shorter (3.62 Å) and two longer (3.64 Å) Tb–Pr bond lengths. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with fourteen TbTb8Pr4 cuboctahedra, edges with six equivalent PrTb12 cuboctahedra, edges with twelve equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with sixteen TbTb8Pr4 cuboctahedra. There are two shorter (3.62 Å) and two longer (3.64 Å) Tb–Pr bond lengths. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with six equivalent PrTb12 cuboctahedra, corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eighteen TbTb8Pr4 cuboctahedra, faces with eight equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pr by Materials Project

Tb3Pr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Tb atoms to form TbTb12 cuboctahedra that share corners with six equivalent TbTb12 cuboctahedra, corners with twelve equivalent PrTb6Pr6 cuboctahedra, edges with eighteen TbTb12 cuboctahedra, faces with two equivalent PrTb6Pr6 cuboctahedra, and faces with eighteen TbTb12 cuboctahedra. There are six shorter (3.55 Å) and six longer (3.65 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to nine Tb and three equivalent Pr atoms to form TbTb9Pr3 cuboctahedra that share corners with eighteen equivalent TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with twelve TbTb12 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with fourteen TbTb12 cuboctahedra. All Tb–Tb bond lengths are 3.65 Å. All Tb–Pr bond lengths are 3.65 Å. Pr is bonded to six equivalent Tb and six equivalent Pr atoms to form PrTb6Pr6 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with twelve equivalent TbTb12 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with twelve equivalent TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with fourteen TbTb12 cuboctahedra. All Pr–Pr bond lengths are 3.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Pr by Materials Project

Tb2Pr is alpha Samarium-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to nine Tb and three equivalent Pr atoms to form TbTb9Pr3 cuboctahedra that share corners with three equivalent PrTb6Pr6 cuboctahedra, corners with twelve TbTb9Pr3 cuboctahedra, edges with nine equivalent PrTb6Pr6 cuboctahedra, edges with twelve TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. There are three shorter (3.53 Å) and six longer (3.62 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.66 Å. In the second Tb site, Tb is bonded to nine Tb and three equivalent Pr atoms to form TbTb9Pr3 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with twelve TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with twelve TbTb9Pr3 cuboctahedra, faces with seven equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Tb–Tb bond lengths are 3.62 Å. All Tb–Pr bond lengths are 3.66 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Tb and six equivalent Pr atoms to form PrTb6Pr6 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with nine TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with fifteen TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Pr–Pr bond lengths are 3.62 Å. In the second Pr site, Pr is bonded to six Tb and six equivalent Pr atoms to form PrTb6Pr6 cuboctahedra that share corners with six equivalent PrTb6Pr6 cuboctahedra, corners with nine TbTb9Pr3 cuboctahedra, edges with six equivalent PrTb6Pr6 cuboctahedra, edges with fifteen TbTb9Pr3 cuboctahedra, faces with six equivalent PrTb6Pr6 cuboctahedra, and faces with thirteen TbTb9Pr3 cuboctahedra. All Pr–Tb bond lengths are 3.66 Å. All Pr–Pr bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPr3 by Materials Project

TbPr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pr atoms to form TbPr12 cuboctahedra that share corners with six equivalent TbPr12 cuboctahedra, corners with twelve equivalent PrTb4Pr8 cuboctahedra, edges with eighteen equivalent PrTb4Pr8 cuboctahedra, faces with eight equivalent TbPr12 cuboctahedra, and faces with twelve equivalent PrTb4Pr8 cuboctahedra. All Tb–Pr bond lengths are 3.69 Å. Pr is bonded to four equivalent Tb and eight equivalent Pr atoms to form PrTb4Pr8 cuboctahedra that share corners with four equivalent TbPr12 cuboctahedra, corners with fourteen equivalent PrTb4Pr8 cuboctahedra, edges with six equivalent TbPr12 cuboctahedra, edges with twelve equivalent PrTb4Pr8 cuboctahedra, faces with four equivalent TbPr12 cuboctahedra, and faces with sixteen equivalent PrTb4Pr8 cuboctahedra. There are two shorter (3.67 Å) and six longer (3.71 Å) Pr–Pr bond lengths.

36 MATERIALS SCIENCE↗