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Materials Data on Eu(Ni5P3)2 by Materials Project

Eu(Ni5P3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to eight P3- atoms. There are a spread of Eu–P bond distances ranging from 3.19–3.56 Å. There are four inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Ni–P bond distances ranging from 2.32–2.48 Å. In the second Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing NiP4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.34 Å) Ni–P bond lengths. In the third Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.16–2.29 Å. In the fourth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.19–2.33 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and six Ni+1.60+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms.

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Materials Data on Eu(NiP)2 by Materials Project

EuNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Eu–P bond lengths are 3.04 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.41 Å.

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Materials Data on EuNi5P3 by Materials Project

EuNi5P3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu2+ is bonded in a 7-coordinate geometry to seven P3- atoms. There are a spread of Eu–P bond distances ranging from 3.05–3.26 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.27–2.32 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.38 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent P3- atoms. All Ni–P bond lengths are 2.32 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Eu2+ and six Ni+1.40+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Ni+1.40+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Eu(Ni5P3)2 by Materials Project

Eu(Ni5P3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to eight P3- atoms. There are a spread of Eu–P bond distances ranging from 3.16–3.58 Å. There are seven inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.18–2.36 Å. In the second Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.33 Å. In the third Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.21–2.31 Å. In the fourth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are three shorter (2.25 Å) and one longer (2.47 Å) Ni–P bond lengths. In the fifth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.26–2.40 Å. In the sixth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 trigonal pyramids. There are a spread of Ni–P bond distances ranging from 2.32–2.60 Å. In the seventh Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.30 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and six Ni+1.60+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms. In the fourth P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ atoms. In the fifth P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ 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 Eu8Ni18P11 by Materials Project

Eu8Ni18P11 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to ten Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.96–3.15 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Eu–P bond lengths. In the second Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are four shorter (3.03 Å) and four longer (3.14 Å) Eu–Ni bond lengths. There are two shorter (3.02 Å) and four longer (3.03 Å) Eu–P bond lengths. In the third Eu site, Eu is bonded in a 12-coordinate geometry to twelve Ni and four equivalent P atoms. There are a spread of Eu–Ni bond distances ranging from 2.97–3.15 Å. All Eu–P bond lengths are 3.08 Å. In the fourth Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.99–3.15 Å. There are a spread of Eu–P bond distances ranging from 3.00–3.04 Å. In the fifth Eu site, Eu is bonded to six equivalent Ni and six equivalent P atoms to form face-sharing EuNi6P6 cuboctahedra. All Eu–Ni bond lengths are 3.05 Å. All Eu–P bond lengths are 3.03 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are one shorter (2.30 Å) and two longer (2.31 Å) Ni–P bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three Eu, one Ni, and three P atoms. The Ni–Ni bond length is 2.55 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a distorted single-bond geometry to two equivalent Eu, four equivalent Ni, and one P atom. All Ni–Ni bond lengths are 2.48 Å. The Ni–P bond length is 2.16 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Eu and eight Ni atoms. Both Ni–Ni bond lengths are 2.37 Å. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to six Eu and three P atoms. There are two shorter (2.27 Å) and one longer (2.31 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.32–2.36 Å. In the eighth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.36 Å) Ni–P bond lengths. In the ninth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face and edge-sharing NiEu4P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the second P site, P is bonded in a 3-coordinate geometry to six Eu and three Ni atoms. In the third P site, P is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four equivalent Eu and five Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms.

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Materials Data on EuNiP by Materials Project

EuNiP crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing EuP6 pentagonal pyramids. All Eu–P bond lengths are 3.09 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.26 Å. P3- is bonded in a distorted trigonal planar geometry to six equivalent Eu2+ and three equivalent Ni1+ atoms.

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Materials Data on Eu2Ni7P4 by Materials Project

Eu2Ni7P4 crystallizes in the orthorhombic Pmn2_1 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 eight NiP4 tetrahedra, corners with two equivalent EuP5 trigonal bipyramids, edges with nine NiP4 tetrahedra, an edgeedge with one EuP5 trigonal bipyramid, and faces with two equivalent EuP6 pentagonal pyramids. There are a spread of Eu–P bond distances ranging from 2.87–2.94 Å. In the second Eu2+ site, Eu2+ is bonded to five P3- atoms to form distorted EuP5 trigonal bipyramids that share corners with two equivalent EuP6 pentagonal pyramids, corners with seven NiP4 tetrahedra, corners with four equivalent EuP5 trigonal bipyramids, an edgeedge with one EuP6 pentagonal pyramid, edges with six NiP4 tetrahedra, and edges with two equivalent EuP5 trigonal bipyramids. There are a spread of Eu–P bond distances ranging from 2.97–3.06 Å. There are seven inequivalent Ni+1.14+ sites. In the first Ni+1.14+ site, Ni+1.14+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four equivalent EuP6 pentagonal pyramids, corners with eight NiP4 tetrahedra, a cornercorner with one EuP5 trigonal bipyramid, an edgeedge with one EuP6 pentagonal pyramid, edges with two equivalent NiP4 tetrahedra, and edges with two equivalent EuP5 trigonal bipyramids. There are one shorter (2.27 Å) and three longer (2.38 Å) Ni–P bond lengths. In the second Ni+1.14+ site, Ni+1.14+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.16 Å) and two longer (2.33 Å) Ni–P bond lengths. In the third Ni+1.14+ site, Ni+1.14+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with eleven NiP4 tetrahedra, corners with two equivalent EuP5 trigonal bipyramids, edges with two equivalent EuP6 pentagonal pyramids, and edges with three equivalent EuP5 trigonal bipyramids. There are a spread of Ni–P bond distances ranging from 2.32–2.48 Å. In the fourth Ni+1.14+ site, Ni+1.14+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with nine NiP4 tetrahedra, corners with two equivalent EuP5 trigonal bipyramids, edges with three equivalent EuP6 pentagonal pyramids, and edges with two equivalent NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.38 Å. In the fifth Ni+1.14+ site, Ni+1.14+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with six NiP4 tetrahedra, corners with two equivalent EuP5 trigonal bipyramids, edges with three equivalent EuP6 pentagonal pyramids, edges with four NiP4 tetrahedra, and an edgeedge with one EuP5 trigonal bipyramid. There are a spread of Ni–P bond distances ranging from 2.29–2.38 Å. In the sixth Ni+1.14+ site, Ni+1.14+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.20 Å) and two longer (2.34 Å) Ni–P bond lengths. In the seventh Ni+1.14+ site, Ni+1.14+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.18 Å) and two longer (2.30 Å) Ni–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four Eu2+ and five Ni+1.14+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Eu2+ and six Ni+1.14+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Ni+1.14+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Ni+1.14+ atoms.

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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.

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