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DOE OSTI2020

Materials Data on Eu2Co5Ge3 by Materials Project

Eu2Co5Ge3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to twelve Co and four equivalent Ge atoms. There are a spread of Eu–Co bond distances ranging from 3.10–3.28 Å. All Eu–Ge bond lengths are 3.14 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. All Eu–Co bond lengths are 3.29 Å. There are four shorter (3.16 Å) and four longer (3.18 Å) Eu–Ge bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four Eu, six Co, and two equivalent Ge atoms. There are two shorter (2.33 Å) and four longer (2.84 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.36 Å. In the second Co site, Co is bonded to four Eu and four Ge atoms to form a mixture of distorted edge and face-sharing CoEu4Ge4 tetrahedra. There are two shorter (2.33 Å) and two longer (2.38 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Co, and one Ge atom. The Co–Ge bond length is 2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.80 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Co, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Eu and five Co atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2Ni12P5 by Materials Project

Eu2Ni12P5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 8-coordinate geometry to four Ni and four P atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Eu–Ni bond lengths. There are two shorter (2.97 Å) and two longer (3.00 Å) Eu–P bond lengths. In the second Eu site, Eu is bonded in a 7-coordinate geometry to seven P atoms. There are a spread of Eu–P bond distances ranging from 3.08–3.12 Å. There are twelve inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Eu and two P atoms. There are one shorter (2.20 Å) and one longer (2.29 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.15 Å) and two longer (2.32 Å) Ni–P bond lengths. In the third Ni site, Ni is bonded in a distorted water-like geometry to two equivalent P atoms. Both Ni–P bond lengths are 2.31 Å. In the fourth Ni site, Ni is bonded in a distorted water-like geometry to two equivalent P atoms. Both Ni–P bond lengths are 2.27 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.22–2.41 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.21–2.42 Å. In the seventh Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to three equivalent P atoms. There are one shorter (2.20 Å) and two longer (2.34 Å) Ni–P bond lengths. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.18 Å) and two longer (2.31 Å) Ni–P bond lengths. In the ninth Ni site, Ni is bonded in a distorted trigonal planar geometry to three P atoms. There are one shorter (2.26 Å) and two longer (2.30 Å) Ni–P bond lengths. In the tenth Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Eu and two P atoms. There are one shorter (2.21 Å) and one longer (2.29 Å) Ni–P bond lengths. In the eleventh Ni site, Ni is bonded in a distorted trigonal planar geometry to three P atoms. There are one shorter (2.28 Å) and two longer (2.30 Å) Ni–P bond lengths. In the twelfth Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are one shorter (2.19 Å) and two longer (2.32 Å) Ni–P bond lengths. There are five inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms. In the third P site, P is bonded in a 9-coordinate geometry to three Eu and six Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3(AsPd)4 by Materials Project

Eu3(PdAs)4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eight Pd and six As atoms. There are a spread of Eu–Pd bond distances ranging from 3.33–3.39 Å. There are four shorter (3.21 Å) and two longer (3.31 Å) Eu–As bond lengths. In the second Eu site, Eu is bonded to four equivalent Pd and eight equivalent As atoms to form a mixture of face and edge-sharing EuAs8Pd4 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.22 Å) Eu–Pd bond lengths. All Eu–As bond lengths are 3.29 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Eu and three As atoms. There are two shorter (2.47 Å) and one longer (2.49 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded to four equivalent Eu, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted face and corner-sharing PdEu4As4Pd4 cuboctahedra. All Pd–Pd bond lengths are 3.02 Å. There are two shorter (2.58 Å) and two longer (2.59 Å) Pd–As bond lengths. In the third Pd site, Pd is bonded to four equivalent Eu, four equivalent Pd, and four equivalent As atoms to form a mixture of distorted face and corner-sharing PdEu4As4Pd4 cuboctahedra. All Pd–As bond lengths are 2.66 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to four equivalent Eu and five Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to six Eu, two equivalent Pd, and one As atom. The As–As bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
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Materials Data on TbEu4S5 by Materials Project

TbEu4S5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to six S atoms to form TbS6 octahedra that share corners with two equivalent EuS6 octahedra, corners with four equivalent TbS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.79 Å) and four longer (2.89 Å) Tb–S bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share corners with six EuS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight EuS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Eu–S bond distances ranging from 2.87–2.90 Å. In the second Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share a cornercorner with one TbS6 octahedra, corners with five EuS6 octahedra, and edges with twelve EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Eu–S bond distances ranging from 2.89–2.98 Å. There are five inequivalent S sites. In the first S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second S site, S is bonded to four equivalent Tb and two equivalent Eu atoms to form STb4Eu2 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third S site, S is bonded to six Eu atoms to form a mixture of edge and corner-sharing SEu6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.89 Å) and one longer (2.98 Å) S–Eu bond lengths. In the fifth S site, S is bonded to six Eu atoms to form SEu6 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of S–Eu bond distances ranging from 2.89–2.91 Å.

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Materials Data on Eu2(ZnNi)5 by Materials Project

Eu2(NiZn)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 6-coordinate geometry to six Ni and twelve Zn atoms. There are four shorter (3.06 Å) and two longer (3.07 Å) Eu–Ni bond lengths. All Eu–Zn bond lengths are 3.33 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to ten Ni and eight equivalent Zn atoms. There are a spread of Eu–Ni bond distances ranging from 3.01–3.33 Å. All Eu–Zn bond lengths are 3.26 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three Eu, two equivalent Ni, and four equivalent Zn atoms. Both Ni–Ni bond lengths are 2.46 Å. All Ni–Zn bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Eu and six Zn atoms. There are two shorter (2.50 Å) and four longer (2.54 Å) Ni–Zn bond lengths. In the third Ni site, Ni is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Zn atoms to form distorted NiEu4Zn4Ni4 cuboctahedra that share corners with four equivalent NiEu4Zn4Ni4 cuboctahedra, corners with twelve ZnEu4Zn4Ni4 cuboctahedra, edges with two equivalent NiEu4Zn4Ni4 cuboctahedra, edges with eight equivalent ZnEu4Zn3Ni5 cuboctahedra, faces with two equivalent NiEu4Zn4Ni4 cuboctahedra, and faces with eight equivalent ZnEu4Zn3Ni5 cuboctahedra. All Ni–Zn bond lengths are 2.56 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Zn atoms to form distorted ZnEu4Zn4Ni4 cuboctahedra that share corners with four equivalent NiEu4Zn4Ni4 cuboctahedra, corners with twelve ZnEu4Zn3Ni5 cuboctahedra, edges with ten ZnEu4Zn4Ni4 cuboctahedra, and faces with ten ZnEu4Zn4Ni4 cuboctahedra. All Zn–Zn bond lengths are 2.68 Å. In the second Zn site, Zn is bonded to four Eu, five Ni, and three Zn atoms to form distorted ZnEu4Zn3Ni5 cuboctahedra that share corners with two equivalent NiEu4Zn4Ni4 cuboctahedra, corners with fourteen ZnEu4Zn4Ni4 cuboctahedra, edges with two equivalent NiEu4Zn4Ni4 cuboctahedra, edges with eight ZnEu4Zn4Ni4 cuboctahedra, faces with two equivalent NiEu4Zn4Ni4 cuboctahedra, and faces with eight ZnEu4Zn4Ni4 cuboctahedra. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiEu3O4 by Materials Project

LiEu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four EuO6 octahedra, corners with two equivalent LiO4 tetrahedra, edges with five EuO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–13°. There are a spread of Li–O bond distances ranging from 1.89–2.07 Å. There are three inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with three equivalent EuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, a cornercorner with one LiO4 tetrahedra, edges with four EuO6 octahedra, edges with four equivalent EuO7 pentagonal bipyramids, and edges with two equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–74°. There are a spread of Eu–O bond distances ranging from 2.36–2.45 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six O2- atoms to form distorted EuO6 octahedra that share corners with three equivalent EuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, corners with three equivalent LiO4 tetrahedra, edges with six EuO6 octahedra, an edgeedge with one EuO7 pentagonal bipyramid, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–74°. There are a spread of Eu–O bond distances ranging from 2.48–2.61 Å. In the third Eu+2.33+ site, Eu+2.33+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with eight EuO6 octahedra, edges with five EuO6 octahedra, edges with two equivalent EuO7 pentagonal bipyramids, edges with two equivalent LiO4 tetrahedra, and faces with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–76°. There are a spread of Eu–O bond distances ranging from 2.51–2.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five Eu+2.33+ atoms to form distorted OLiEu5 octahedra that share corners with two equivalent OEu5 square pyramids, edges with two equivalent OLiEu5 octahedra, and edges with three equivalent OEu5 square pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Li1+ and four Eu+2.33+ atoms. In the third O2- site, O2- is bonded to five Eu+2.33+ atoms to form OEu5 square pyramids that share corners with two equivalent OLiEu5 octahedra, edges with three equivalent OLiEu5 octahedra, and edges with four equivalent OEu5 square pyramids. The corner-sharing octahedral tilt angles are 19°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+ and five Eu+2.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Eu5O8 by Materials Project

Li2Eu5O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent EuO7 pentagonal bipyramids, corners with two equivalent LiO4 tetrahedra, and edges with three equivalent EuO7 pentagonal bipyramids. There are a spread of Li–O bond distances ranging from 1.88–2.07 Å. There are three inequivalent Eu+2.80+ sites. In the first Eu+2.80+ site, Eu+2.80+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.64 Å) and four longer (2.82 Å) Eu–O bond lengths. In the second Eu+2.80+ site, Eu+2.80+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent LiO4 tetrahedra, edges with five equivalent EuO7 pentagonal bipyramids, and edges with three equivalent LiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.29–2.50 Å. In the third Eu+2.80+ site, Eu+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and five Eu+2.80+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Li1+ and four Eu+2.80+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and five Eu+2.80+ atoms. In the fourth O2- site, O2- is bonded to four Eu+2.80+ atoms to form a mixture of distorted edge and corner-sharing OEu4 tetrahedra.

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Materials Data on Eu3O4 by Materials Project

Eu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.55–2.59 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.25–2.50 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.31–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Eu+2.67+ atoms. In the second O2- site, O2- is bonded to five Eu+2.67+ atoms to form OEu5 square pyramids that share corners with two equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, edges with four equivalent OEu5 square pyramids, an edgeedge with one OEu5 trigonal bipyramid, and edges with three equivalent OEu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form distorted OEu4 trigonal pyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, and edges with three equivalent OEu5 square pyramids. In the fourth O2- site, O2- is bonded to five Eu+2.67+ atoms to form distorted OEu5 trigonal bipyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu4 trigonal pyramids, an edgeedge with one OEu5 square pyramid, and edges with four equivalent OEu5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2(AlAg)5 by Materials Project

Eu2(AgAl)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted hexagonal planar geometry to six Ag and twelve Al atoms. There are two shorter (3.20 Å) and four longer (3.22 Å) Eu–Ag bond lengths. There are four shorter (3.57 Å) and eight longer (3.62 Å) Eu–Al bond lengths. In the second Eu site, Eu is bonded in a 6-coordinate geometry to ten Ag and eight equivalent Al atoms. There are a spread of Eu–Ag bond distances ranging from 3.26–3.57 Å. All Eu–Al bond lengths are 3.61 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three Eu, two equivalent Ag, and four equivalent Al atoms. Both Ag–Ag bond lengths are 2.84 Å. All Ag–Al bond lengths are 2.75 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to three Eu and six Al atoms. There are four shorter (2.78 Å) and two longer (2.79 Å) Ag–Al bond lengths. In the third Ag site, Ag is bonded to four equivalent Eu, four equivalent Ag, and four equivalent Al atoms to form distorted AgEu4Al4Ag4 cuboctahedra that share corners with four equivalent AgEu4Al4Ag4 cuboctahedra, corners with four equivalent AlEu4Al4Ag4 cuboctahedra, edges with two equivalent AgEu4Al4Ag4 cuboctahedra, and faces with two equivalent AgEu4Al4Ag4 cuboctahedra. All Ag–Al bond lengths are 2.81 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Eu, four equivalent Ag, and four equivalent Al atoms to form distorted AlEu4Al4Ag4 cuboctahedra that share corners with four equivalent AgEu4Al4Ag4 cuboctahedra, corners with four equivalent AlEu4Al4Ag4 cuboctahedra, edges with two equivalent AlEu4Al4Ag4 cuboctahedra, and faces with two equivalent AlEu4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Eu, five Ag, and three Al atoms. There are one shorter (2.76 Å) and one longer (2.77 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu5(MoO6)2 by Materials Project

Eu5(MoO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.60 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.60 Å. In the third Eu+2.40+ site, Eu+2.40+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (2.41 Å) and two longer (2.42 Å) Eu–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent EuO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Mo–O bond distances ranging from 1.91–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu+2.40+ and one Mo6+ atom to form a mixture of distorted edge and corner-sharing OEu3Mo tetrahedra. In the second O2- site, O2- is bonded to four Eu+2.40+ atoms to form OEu4 tetrahedra that share corners with thirteen OEu2Mo2 tetrahedra and edges with four OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Eu+2.40+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded to two Eu+2.40+ and two equivalent Mo6+ atoms to form distorted OEu2Mo2 tetrahedra that share corners with eight OEu4 tetrahedra and edges with five OEu2Mo2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2(CuNi)5 by Materials Project

Eu2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 6-coordinate geometry to eight equivalent Ni and ten Cu atoms. All Eu–Ni bond lengths are 3.24 Å. There are a spread of Eu–Cu bond distances ranging from 2.93–3.23 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to twelve Ni and six Cu atoms. All Eu–Ni bond lengths are 3.23 Å. There are two shorter (2.92 Å) and four longer (2.93 Å) Eu–Cu bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Cu atoms to form NiEu4Cu4Ni4 cuboctahedra that share corners with four equivalent CuEu4Cu4Ni4 cuboctahedra, corners with twelve NiEu4Cu5Ni3 cuboctahedra, edges with ten NiEu4Cu5Ni3 cuboctahedra, and faces with ten NiEu4Cu4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Cu bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four Eu, three Ni, and five Cu atoms to form NiEu4Cu5Ni3 cuboctahedra that share corners with two equivalent CuEu4Cu4Ni4 cuboctahedra, corners with fourteen NiEu4Cu4Ni4 cuboctahedra, edges with two equivalent CuEu4Cu4Ni4 cuboctahedra, edges with eight NiEu4Cu4Ni4 cuboctahedra, faces with two equivalent CuEu4Cu4Ni4 cuboctahedra, and faces with eight NiEu4Cu4Ni4 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.54 Å) Ni–Ni bond lengths. There are four shorter (2.48 Å) and one longer (2.54 Å) Ni–Cu bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three Eu and six Ni atoms. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three Eu, four equivalent Ni, and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.49 Å. In the third Cu site, Cu is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Cu atoms to form CuEu4Cu4Ni4 cuboctahedra that share corners with four equivalent CuEu4Cu4Ni4 cuboctahedra, corners with twelve NiEu4Cu5Ni3 cuboctahedra, edges with two equivalent CuEu4Cu4Ni4 cuboctahedra, edges with eight equivalent NiEu4Cu5Ni3 cuboctahedra, faces with two equivalent CuEu4Cu4Ni4 cuboctahedra, and faces with eight equivalent NiEu4Cu5Ni3 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on NaEu2Cl6 by Materials Project

NaEu2Cl6 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.90 Å) and three longer (2.91 Å) Na–Cl bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.92 Å) and three longer (2.93 Å) Na–Cl bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to nine Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.75–3.44 Å. There are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.99–3.07 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.97–3.03 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the second Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the third Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Eu+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuInNi5 by Materials Project

EuNi5In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted hexagonal planar geometry to eighteen Ni and two equivalent In atoms. There are six shorter (2.82 Å) and twelve longer (3.17 Å) Eu–Ni bond lengths. Both Eu–In bond lengths are 3.28 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to twelve Ni and six equivalent In atoms. There are six shorter (2.98 Å) and six longer (3.26 Å) Eu–Ni bond lengths. All Eu–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Eu and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.82 Å. In the second Ni site, Ni is bonded to three Eu, seven Ni, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing NiEu3In2Ni7 cuboctahedra. There are three shorter (2.43 Å) and two longer (2.46 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.76 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Eu, three equivalent Ni, and four equivalent In atoms. There are one shorter (2.62 Å) and three longer (2.91 Å) Ni–In bond lengths. In is bonded in a 1-coordinate geometry to four Eu and ten Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu5Pt4 by Materials Project

Eu5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Eu–Pt bond distances ranging from 2.96–3.11 Å. In the second Eu site, Eu is bonded to seven Pt atoms to form distorted EuPt7 pentagonal bipyramids that share corners with four equivalent EuPt6 octahedra, corners with six equivalent EuPt7 pentagonal bipyramids, edges with two equivalent EuPt7 pentagonal bipyramids, faces with two equivalent EuPt6 octahedra, and faces with three equivalent EuPt7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Eu–Pt bond distances ranging from 3.13–3.44 Å. In the third Eu site, Eu is bonded to six Pt atoms to form distorted EuPt6 octahedra that share corners with four equivalent EuPt6 octahedra, corners with eight equivalent EuPt7 pentagonal bipyramids, and faces with four equivalent EuPt7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Eu–Pt bond distances ranging from 2.96–3.35 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Eu and one Pt atom. The Pt–Pt bond length is 2.78 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Eu atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Eu and one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2GaAg3 by Materials Project

Eu2Ag3Ga crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to nine Ag and three equivalent Ga atoms. There are a spread of Eu–Ag bond distances ranging from 3.21–3.52 Å. There are one shorter (3.32 Å) and two longer (3.53 Å) Eu–Ga bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to nine Ag and three equivalent Ga atoms. There are a spread of Eu–Ag bond distances ranging from 3.24–3.52 Å. There are one shorter (3.31 Å) and two longer (3.32 Å) Eu–Ga bond lengths. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Eu, three Ag, and one Ga atom. There are two shorter (2.85 Å) and one longer (3.00 Å) Ag–Ag bond lengths. The Ag–Ga bond length is 2.72 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Eu, two Ag, and two equivalent Ga atoms. The Ag–Ag bond length is 2.85 Å. Both Ag–Ga bond lengths are 2.72 Å. In the third Ag site, Ag is bonded in a 10-coordinate geometry to six Eu, three Ag, and one Ga atom. The Ag–Ga bond length is 2.80 Å. Ga is bonded in a 10-coordinate geometry to six Eu and four Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Zn3Ge by Materials Project

Eu2Zn3Ge crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eight Zn and four equivalent Ge atoms. There are a spread of Eu–Zn bond distances ranging from 3.16–3.39 Å. There are two shorter (3.14 Å) and two longer (3.35 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to ten Zn and two equivalent Ge atoms. There are a spread of Eu–Zn bond distances ranging from 3.11–3.38 Å. There are one shorter (3.26 Å) and one longer (3.30 Å) Eu–Ge bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to six Eu, two equivalent Zn, and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.87 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.67 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Eu and four Zn atoms. Both Zn–Zn bond lengths are 2.63 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to six Eu, two equivalent Zn, and two equivalent Ge atoms. There are one shorter (2.69 Å) and one longer (2.84 Å) Zn–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six Eu and four Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu5Mg by Materials Project

MgEu5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Eu atoms to form MgEu12 cuboctahedra that share corners with eighteen equivalent EuEu9Mg3 cuboctahedra, edges with six equivalent MgEu12 cuboctahedra, edges with twelve equivalent EuEu10Mg2 cuboctahedra, faces with two equivalent MgEu12 cuboctahedra, and faces with eighteen EuEu9Mg3 cuboctahedra. There are six shorter (3.73 Å) and six longer (3.82 Å) Mg–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to three equivalent Mg and nine Eu atoms to form EuEu9Mg3 cuboctahedra that share corners with nine equivalent MgEu12 cuboctahedra, corners with nine equivalent EuEu9Mg3 cuboctahedra, edges with eighteen EuEu9Mg3 cuboctahedra, faces with three equivalent MgEu12 cuboctahedra, and faces with seventeen EuEu9Mg3 cuboctahedra. There are six shorter (3.80 Å) and three longer (3.82 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to two equivalent Mg and ten Eu atoms to form EuEu10Mg2 cuboctahedra that share corners with eighteen equivalent EuEu10Mg2 cuboctahedra, edges with four equivalent MgEu12 cuboctahedra, edges with fourteen EuEu9Mg3 cuboctahedra, faces with four equivalent MgEu12 cuboctahedra, and faces with sixteen EuEu9Mg3 cuboctahedra. There are two shorter (3.69 Å) and four longer (3.89 Å) Eu–Eu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Mg by Materials Project

MgEu2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to two equivalent Mg and seven Eu atoms. Both Mg–Mg bond lengths are 3.15 Å. There are a spread of Mg–Eu bond distances ranging from 3.50–3.79 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to two equivalent Mg and ten Eu atoms to form a mixture of distorted edge, face, and corner-sharing EuEu10Mg2 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.86–3.97 Å. In the second Eu site, Eu is bonded in a 4-coordinate geometry to five equivalent Mg and eight Eu atoms. There are one shorter (3.76 Å) and two longer (3.92 Å) Eu–Eu bond lengths.

36 MATERIALS SCIENCE↗