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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3Tb by Materials Project

Sr3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Tb atoms to form SrSr8Tb4 cuboctahedra that share corners with four equivalent TbSr12 cuboctahedra, corners with fourteen equivalent SrSr8Tb4 cuboctahedra, edges with six equivalent TbSr12 cuboctahedra, edges with twelve equivalent SrSr8Tb4 cuboctahedra, faces with four equivalent TbSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Tb4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.94–4.19 Å. There are two shorter (3.98 Å) and two longer (4.07 Å) Sr–Tb bond lengths. Tb is bonded to twelve equivalent Sr atoms to form TbSr12 cuboctahedra that share corners with six equivalent TbSr12 cuboctahedra, corners with twelve equivalent SrSr8Tb4 cuboctahedra, edges with eighteen equivalent SrSr8Tb4 cuboctahedra, faces with eight equivalent TbSr12 cuboctahedra, and faces with twelve equivalent SrSr8Tb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrTb by Materials Project

SrTb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Tb atoms to form SrSr6Tb6 cuboctahedra that share corners with eighteen equivalent SrSr6Tb6 cuboctahedra, edges with six equivalent SrSr6Tb6 cuboctahedra, edges with twelve equivalent TbSr6Tb6 cuboctahedra, faces with eight equivalent SrSr6Tb6 cuboctahedra, and faces with twelve equivalent TbSr6Tb6 cuboctahedra. All Sr–Sr bond lengths are 3.82 Å. All Sr–Tb bond lengths are 3.87 Å. Tb is bonded to six equivalent Sr and six equivalent Tb atoms to form TbSr6Tb6 cuboctahedra that share corners with eighteen equivalent TbSr6Tb6 cuboctahedra, edges with six equivalent TbSr6Tb6 cuboctahedra, edges with twelve equivalent SrSr6Tb6 cuboctahedra, faces with eight equivalent TbSr6Tb6 cuboctahedra, and faces with twelve equivalent SrSr6Tb6 cuboctahedra. All Tb–Tb bond lengths are 3.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrTb3 by Materials Project

SrTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Tb atoms to form SrTb12 cuboctahedra that share corners with four equivalent SrTb12 cuboctahedra, corners with eight equivalent TbSr4Tb8 cuboctahedra, edges with eight equivalent SrTb12 cuboctahedra, edges with sixteen equivalent TbSr4Tb8 cuboctahedra, faces with four equivalent SrTb12 cuboctahedra, and faces with fourteen TbSr4Tb8 cuboctahedra. There are four shorter (3.68 Å) and eight longer (3.69 Å) Sr–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Sr and eight Tb atoms to form TbSr4Tb8 cuboctahedra that share corners with twelve equivalent TbSr4Tb8 cuboctahedra, edges with eight equivalent SrTb12 cuboctahedra, edges with sixteen TbSr4Tb8 cuboctahedra, faces with four equivalent SrTb12 cuboctahedra, and faces with fourteen TbSr4Tb8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Sr and eight equivalent Tb atoms to form TbSr4Tb8 cuboctahedra that share corners with four equivalent TbSr4Tb8 cuboctahedra, corners with eight equivalent SrTb12 cuboctahedra, edges with twenty-four TbSr4Tb8 cuboctahedra, faces with six equivalent SrTb12 cuboctahedra, and faces with twelve TbSr4Tb8 cuboctahedra.

36 MATERIALS SCIENCE↗