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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrEu3 by Materials Project

SrEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Eu atoms to form SrEu12 cuboctahedra that share corners with four equivalent SrEu12 cuboctahedra, corners with eight equivalent EuSr4Eu8 cuboctahedra, edges with eight equivalent SrEu12 cuboctahedra, edges with sixteen equivalent EuSr4Eu8 cuboctahedra, faces with four equivalent SrEu12 cuboctahedra, and faces with fourteen EuSr4Eu8 cuboctahedra. There are four shorter (3.98 Å) and eight longer (4.06 Å) Sr–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Sr and eight Eu atoms to form EuSr4Eu8 cuboctahedra that share corners with twelve equivalent EuSr4Eu8 cuboctahedra, edges with eight equivalent SrEu12 cuboctahedra, edges with sixteen EuSr4Eu8 cuboctahedra, faces with four equivalent SrEu12 cuboctahedra, and faces with fourteen EuSr4Eu8 cuboctahedra. There are four shorter (3.98 Å) and four longer (4.06 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Sr and eight equivalent Eu atoms to form distorted EuSr4Eu8 cuboctahedra that share corners with four equivalent EuSr4Eu8 cuboctahedra, corners with eight equivalent SrEu12 cuboctahedra, edges with twenty-four EuSr4Eu8 cuboctahedra, faces with six equivalent SrEu12 cuboctahedra, and faces with twelve EuSr4Eu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrEu3 by Materials Project

SrEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.90 Å) and six longer (4.51 Å) Sr–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.90 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Sr and eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrEu3 by Materials Project

SrEu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Eu atoms to form SrEu12 cuboctahedra that share corners with twelve equivalent SrEu12 cuboctahedra, edges with twenty-four equivalent EuSr4Eu8 cuboctahedra, faces with six equivalent SrEu12 cuboctahedra, and faces with twelve equivalent EuSr4Eu8 cuboctahedra. All Sr–Eu bond lengths are 4.06 Å. Eu is bonded to four equivalent Sr and eight equivalent Eu atoms to form EuSr4Eu8 cuboctahedra that share corners with twelve equivalent EuSr4Eu8 cuboctahedra, edges with eight equivalent SrEu12 cuboctahedra, edges with sixteen equivalent EuSr4Eu8 cuboctahedra, faces with four equivalent SrEu12 cuboctahedra, and faces with fourteen equivalent EuSr4Eu8 cuboctahedra. All Eu–Eu bond lengths are 4.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrEu3(NiO4)2 by Materials Project

SrEu3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.73 Å. There are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.73 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.73 Å. In the third Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.72 Å. There are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Ni–O bond distances ranging from 1.91–2.18 Å. In the second Ni+2.50+ site, Ni+2.50+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Ni–O bond distances ranging from 1.91–2.12 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Eu3+ and one Ni+2.50+ atom to form distorted OEu5Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to one Sr2+, four Eu3+, and one Ni+2.50+ atom to form distorted OSrEu4Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to two equivalent Sr2+, three Eu3+, and one Ni+2.50+ atom to form distorted OSr2Eu3Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three Eu3+, and one Ni+2.50+ atom to form distorted OSr2Eu3Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to one Sr2+, three Eu3+, and two Ni+2.50+ atoms to form distorted OSrEu3Ni2 octahedra that share corners with fourteen OEu5Ni octahedra, edges with two equivalent OSrEu3Ni2 octahedra, and faces with eight OEu5Ni octahedra. The corner-sharing octahedra tilt angles range from 3–54°.

36 MATERIALS SCIENCE↗