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Materials Data on BaEu2O4 by Materials Project

Eu2BaO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.02 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Eu–O bond distances ranging from 2.33–2.44 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.34 Å) and four longer (2.42 Å) Eu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 trigonal bipyramids.

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Materials Data on EuAl2O4 by Materials Project

EuAl2O4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.54–3.13 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.49–2.83 Å. There are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.79 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.78 Å) Al–O bond length. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.78 Å) Al–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Eu2+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Eu2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Eu2+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu2+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Eu2+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two Al3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Eu2+ and two Al3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2TiO5 by Materials Project

Eu2TiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 hexagonal pyramids that share corners with two equivalent EuO7 hexagonal pyramids, a cornercorner with one TiO5 trigonal bipyramid, edges with seven EuO7 hexagonal pyramids, and edges with two equivalent TiO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.39–2.49 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 hexagonal pyramids that share corners with two equivalent EuO7 hexagonal pyramids, corners with three equivalent TiO5 trigonal bipyramids, edges with five EuO7 hexagonal pyramids, and edges with two equivalent TiO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.35–2.53 Å. Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with four EuO7 hexagonal pyramids, corners with two equivalent TiO5 trigonal bipyramids, and edges with four EuO7 hexagonal pyramids. There are a spread of Ti–O bond distances ranging from 1.78–1.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with twelve OEu4 tetrahedra and edges with three OEu3Ti tetrahedra. In the second O2- site, O2- is bonded to three Eu3+ and one Ti4+ atom to form distorted OEu3Ti tetrahedra that share corners with eight OEu4 tetrahedra and edges with three OEu3Ti tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to three Eu3+ and one Ti4+ atom to form OEu3Ti tetrahedra that share corners with eight OEu4 tetrahedra and edges with two equivalent OEu3Ti tetrahedra. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Ti4+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Eu3FeO6 by Materials Project

Eu3FeO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five EuO7 pentagonal bipyramids, corners with three equivalent FeO4 tetrahedra, edges with five EuO7 pentagonal bipyramids, an edgeedge with one FeO4 tetrahedra, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.28–2.69 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, a cornercorner with one FeO4 tetrahedra, edges with eight EuO7 pentagonal bipyramids, and an edgeedge with one FeO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.36–2.51 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with seven EuO7 pentagonal bipyramids and edges with three EuO7 pentagonal bipyramids. There is two shorter (1.88 Å) and two longer (1.90 Å) Fe–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Fe3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Eu3+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded to three Eu3+ and one Fe3+ atom to form distorted corner-sharing OEu3Fe tetrahedra.

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Materials Data on EuPPt by Materials Project

EuPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing EuP6Pt6 cuboctahedra. All Eu–Pt bond lengths are 3.22 Å. All Eu–P bond lengths are 3.22 Å. Pt2- is bonded in a 3-coordinate geometry to six equivalent Eu3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.39 Å. P1- is bonded in a 3-coordinate geometry to six equivalent Eu3+ and three equivalent Pt2- atoms.

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Materials Data on Eu6Ni20P13 by Materials Project

Eu6Ni20P13 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with four equivalent EuP6 pentagonal pyramids, corners with twelve NiP4 tetrahedra, edges with two equivalent EuP6 pentagonal pyramids, edges with eight NiP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. There are two shorter (2.93 Å) and four longer (2.98 Å) Eu–P bond lengths. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with four equivalent EuP6 pentagonal pyramids, corners with twelve NiP4 tetrahedra, edges with two equivalent EuP6 pentagonal pyramids, edges with seven NiP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. There are a spread of Eu–P bond distances ranging from 2.90–2.99 Å. There are eight inequivalent Ni+1.35+ sites. In the first Ni+1.35+ site, Ni+1.35+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten NiP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.13–2.38 Å. In the second Ni+1.35+ site, Ni+1.35+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.32 Å. In the third Ni+1.35+ site, Ni+1.35+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Ni–P bond distances ranging from 2.25–2.60 Å. In the fourth Ni+1.35+ site, Ni+1.35+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.31 Å. In the fifth Ni+1.35+ site, Ni+1.35+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with six EuP6 pentagonal pyramids, corners with five NiP4 tetrahedra, edges with four EuP6 pentagonal pyramids, and edges with four NiP4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.32 Å) Ni–P bond lengths. In the sixth Ni+1.35+ site, Ni+1.35+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with eight NiP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.38 Å. In the seventh Ni+1.35+ site, Ni+1.35+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with six EuP6 pentagonal pyramids, corners with six NiP4 tetrahedra, edges with four EuP6 pentagonal pyramids, and edges with four NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.28–2.33 Å. In the eighth Ni+1.35+ site, Ni+1.35+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with eleven NiP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.30–2.33 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+ and five Ni+1.35+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Ni+1.35+ atoms. In the third P3- site, P3- is bonded in a 3-coordinate geometry to nine Ni+1.35+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+ and five Ni+1.35+ atoms. In the fifth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Ni+1.35+ atoms.

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Materials Data on Eu3(InP2)2 by Materials Project

Eu3In2P4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with seven EuP6 octahedra, corners with six equivalent InP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent InP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 16–54°. There are a spread of Eu–P bond distances ranging from 2.99–3.50 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with ten equivalent EuP6 octahedra, corners with four equivalent InP4 tetrahedra, edges with two equivalent EuP6 octahedra, edges with four equivalent InP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 33–54°. There are four shorter (2.94 Å) and two longer (3.13 Å) Eu–P bond lengths. In3+ is bonded to four P3- atoms to form InP4 tetrahedra that share corners with eight EuP6 octahedra, corners with two equivalent InP4 tetrahedra, edges with five EuP6 octahedra, and an edgeedge with one InP4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–68°. There are a spread of In–P bond distances ranging from 2.59–2.66 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Eu2+ and two equivalent In3+ atoms. In the second P3- site, P3- is bonded to four Eu2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing PEu4In2 pentagonal pyramids.

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Materials Data on Eu2Co2O5 by Materials Project

Eu2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.52 Å. In the second Eu3+ site, Eu3+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent CoO5 square pyramids. There are four shorter (2.75 Å) and eight longer (2.92 Å) Eu–O bond lengths. Co2+ is bonded to five O2- atoms to form CoO5 square pyramids that share corners with five equivalent CoO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There is four shorter (1.96 Å) and one longer (1.97 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Eu3+ and two equivalent Co2+ atoms. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent Co2+ atoms to form a mixture of distorted edge and corner-sharing OEu4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Eu2TlCl5 by Materials Project

Eu2TlCl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.95–3.14 Å. In the second Eu2+ site, Eu2+ is bonded to seven Cl1- atoms to form distorted edge-sharing EuCl7 pentagonal bipyramids. There are a spread of Eu–Cl bond distances ranging from 2.88–3.01 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.08–3.65 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Eu2+ and two equivalent Tl1+ atoms to form distorted ClEu2Tl2 trigonal pyramids that share corners with six ClEu3Tl2 square pyramids, corners with four equivalent ClEu4 tetrahedra, corners with two equivalent ClEu2Tl2 trigonal pyramids, edges with three ClEu3Tl2 square pyramids, and an edgeedge with one ClEu2Tl2 trigonal pyramid. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Eu2+ and two equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded to three Eu2+ and two equivalent Tl1+ atoms to form distorted ClEu3Tl2 square pyramids that share corners with eight ClEu3Tl2 square pyramids, corners with two equivalent ClEu4 tetrahedra, corners with two equivalent ClEu2Tl2 trigonal pyramids, an edgeedge with one ClEu3Tl2 square pyramid, edges with two equivalent ClEu4 tetrahedra, edges with two equivalent ClEu2Tl2 trigonal pyramids, and a faceface with one ClEu3Tl2 square pyramid. In the fourth Cl1- site, Cl1- is bonded to three Eu2+ and two equivalent Tl1+ atoms to form distorted ClEu3Tl2 square pyramids that share corners with four equivalent ClEu3Tl2 square pyramids, corners with four equivalent ClEu4 tetrahedra, corners with four equivalent ClEu2Tl2 trigonal pyramids, edges with three ClEu3Tl2 square pyramids, an edgeedge with one ClEu4 tetrahedra, an edgeedge with one ClEu2Tl2 trigonal pyramid, and a faceface with one ClEu3Tl2 square pyramid. In the fifth Cl1- site, Cl1- is bonded to four Eu2+ atoms to form distorted ClEu4 tetrahedra that share corners with six ClEu3Tl2 square pyramids, corners with two equivalent ClEu4 tetrahedra, corners with four equivalent ClEu2Tl2 trigonal pyramids, edges with three ClEu3Tl2 square pyramids, and an edgeedge with one ClEu4 tetrahedra.

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Materials Data on Rb3EuCl6 by Materials Project

Rb3EuCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.58–3.95 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.74 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.35–3.77 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.70–2.76 Å. In the second Eu3+ site, Eu3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.73–2.76 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Eu3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Eu3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Eu3+ atom. In the fourth Cl1- site, Cl1- is bonded to four Rb1+ and one Eu3+ atom to form distorted face-sharing ClRb4Eu square pyramids. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Eu3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Eu3+ atom.

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Materials Data on EuHCl by Materials Project

EuHCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to four equivalent H1- and five equivalent Cl1- atoms. All Eu–H bond lengths are 2.44 Å. There are four shorter (3.03 Å) and one longer (3.15 Å) Eu–Cl bond lengths. H1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing HEu4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Eu2+ atoms.

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Materials Data on Eu2Mo3H2Se2O17 by Materials Project

Eu2Mo3H2Se2O17 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.59 Å. In the second Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.58 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 35–47°. There are a spread of Mo–O bond distances ranging from 1.76–2.30 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.40 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.73 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Eu3+ and two equivalent H1+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one Mo6+, and one Se4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one Mo6+, and one Se4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Eu3+ and two equivalent Mo6+ atoms.

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Materials Data on Eu2Si5Pt3 by Materials Project

Eu2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Eu3+ is bonded in a 1-coordinate geometry to seven Pt+0.67- and ten Si+0.80- atoms. There are a spread of Eu–Pt bond distances ranging from 3.19–3.52 Å. There are a spread of Eu–Si bond distances ranging from 3.09–3.33 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 6-coordinate geometry to four equivalent Eu3+ and six Si+0.80- atoms. There are four shorter (2.52 Å) and two longer (2.71 Å) Pt–Si bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded in a 5-coordinate geometry to five equivalent Eu3+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.49 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to four equivalent Eu3+ and four equivalent Pt+0.67- atoms. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Eu3+, three Pt+0.67-, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.56 Å. In the third Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Eu3+, three Pt+0.67-, and two equivalent Si+0.80- atoms.

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Materials Data on Eu2W2O5 by Materials Project

Eu2W2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.67 Å. In the second Eu3+ site, Eu3+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent WO5 square pyramids. There are eight shorter (2.89 Å) and four longer (2.91 Å) Eu–O bond lengths. W2+ is bonded to five O2- atoms to form WO5 square pyramids that share corners with five equivalent WO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There are four shorter (2.06 Å) and one longer (2.12 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ and two equivalent W2+ atoms to form a mixture of distorted edge, face, and corner-sharing OEu4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent W2+ atoms to form a mixture of distorted edge, face, and corner-sharing OEu4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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Materials Data on EuTaNO2 by Materials Project

EuTaO2N is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu2+ is bonded to four equivalent N3- and eight equivalent O2- atoms to form EuN4O8 cuboctahedra that share corners with twelve equivalent EuN4O8 cuboctahedra, faces with six equivalent EuN4O8 cuboctahedra, and faces with eight equivalent TaN2O4 octahedra. All Eu–N bond lengths are 2.85 Å. All Eu–O bond lengths are 2.88 Å. Ta5+ is bonded to two equivalent N3- and four equivalent O2- atoms to form TaN2O4 octahedra that share corners with six equivalent TaN2O4 octahedra and faces with eight equivalent EuN4O8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Both Ta–N bond lengths are 2.05 Å. All Ta–O bond lengths are 2.02 Å. N3- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Ta5+ atoms. O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Ta5+ atoms.

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DOE OSTI2020

Materials Data on EuS by Materials Project

EuS crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two EuS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.90 Å) and two longer (2.95 Å) Eu–S bond lengths. In the second Eu2+ site, Eu2+ is bonded in a single-bond geometry to five S2- atoms. There are one shorter (2.85 Å) and four longer (2.91 Å) Eu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to six Eu2+ atoms to form SEu6 octahedra that share corners with four equivalent SEu6 octahedra, edges with four equivalent SEu6 octahedra, and edges with eight equivalent SEu5 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to five Eu2+ atoms to form SEu5 square pyramids that share corners with five equivalent SEu5 square pyramids, edges with four equivalent SEu6 octahedra, and edges with four equivalent SEu5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2BBrN2 by Materials Project

Eu2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Eu–N bond lengths are 2.48 Å. All Eu–Br bond lengths are 3.27 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Eu2+ and one B3+ atom to form NEu3B tetrahedra that share corners with three equivalent BrEu6 octahedra, corners with seven equivalent NEu3B tetrahedra, and edges with three equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with six equivalent NEu3B tetrahedra, edges with six equivalent BrEu6 octahedra, and edges with six equivalent NEu3B tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3SbO7 by Materials Project

Eu3SbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Eu–O bond distances ranging from 2.27–2.59 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.75 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗