DOI: 10.17188/1653140
title: Materials Data on Eu10Mn6Sb13 by Materials Project

description: Eu10Mn6Sb13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Eu+2.10+ sites. In the first Eu+2.10+ site, Eu+2.10+ is bonded to six Sb+2.54- atoms to form EuSb6 octahedra that share corners with six EuSb6 octahedra, corners with two equivalent EuSb7 pentagonal bipyramids, corners with six MnSb4 tetrahedra, edges with two EuSb6 octahedra, edges with four MnSb4 tetrahedra, and faces with two equivalent EuSb6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. There are a spread of Eu–Sb bond distances ranging from 3.22–3.46 Å. In the second Eu+2.10+ site, Eu+2.10+ is bonded to six Sb+2.54- atoms to form EuSb6 octahedra that share corners with four EuSb6 octahedra, corners with four equivalent EuSb7 pentagonal bipyramids, edges with two EuSb6 octahedra, edges with two equivalent EuSb7 pentagonal bipyramids, and edges with eight MnSb4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Eu–Sb bond distances ranging from 3.22–3.29 Å. In the third Eu+2.10+ site, Eu+2.10+ is bonded to seven Sb+2.54- atoms to form distorted EuSb7 pentagonal bipyramids that share corners with nine EuSb6 octahedra, corners with four MnSb4 tetrahedra, edges with two EuSb6 octahedra, an edgeedge with one EuSb7 pentagonal bipyramid, edges with two MnSb4 tetrahedra, faces with two EuSb6 octahedra, a faceface with one EuSb7 pentagonal bipyramid, and a faceface with one MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–45°. There are a spread of Eu–Sb bond distances ranging from 3.31–3.65 Å. In the fourth Eu+2.10+ site, Eu+2.10+ is bonded in a 7-coordinate geometry to seven Sb+2.54- atoms. There are a spread of Eu–Sb bond distances ranging from 3.28–3.69 Å. In the fifth Eu+2.10+ site, Eu+2.10+ is bonded to six Sb+2.54- atoms to form EuSb6 octahedra that share corners with six EuSb6 octahedra, corners with three equivalent EuSb7 pentagonal bipyramids, corners with six MnSb4 tetrahedra, edges with two equivalent EuSb6 octahedra, an edgeedge with one EuSb7 pentagonal bipyramid, edges with three MnSb4 tetrahedra, and faces with two EuSb6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. There are a spread of Eu–Sb bond distances ranging from 3.24–3.46 Å. In the sixth Eu+2.10+ site, Eu+2.10+ is bonded to six Sb+2.54- atoms to form EuSb6 octahedra that share corners with four EuSb6 octahedra, corners with four equivalent EuSb7 pentagonal bipyramids, edges with two EuSb6 octahedra, edges with four MnSb4 tetrahedra, and faces with two equivalent EuSb7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–38°. There are a spread of Eu–Sb bond distances ranging from 3.15–3.26 Å. In the seventh Eu+2.10+ site, Eu+2.10+ is bonded to six Sb+2.54- atoms to form EuSb6 octahedra that share corners with six EuSb6 octahedra, corners with two equivalent EuSb7 pentagonal bipyramids, corners with six MnSb4 tetrahedra, edges with two EuSb6 octahedra, edges with two equivalent MnSb4 tetrahedra, faces with two equivalent EuSb6 octahedra, and faces with two equivalent EuSb7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–56°. There are a spread of Eu–Sb bond distances ranging from 3.25–3.42 Å. There are four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Sb+2.54- atoms to form MnSb4 tetrahedra that share corners with four EuSb6 octahedra, corners with five MnSb4 tetrahedra, edges with four EuSb6 octahedra, edges with two equivalent EuSb7 pentagonal bipyramids, and an edgeedge with one MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Mn–Sb bond distances ranging from 2.74–2.79 Å. In the second Mn2+ site, Mn2+ is bonded to four Sb+2.54- atoms to form MnSb4 tetrahedra that share corners with four equivalent EuSb6 octahedra, corners with two equivalent EuSb7 pentagonal bipyramids, corners with five MnSb4 tetrahedra, edges with four EuSb6 octahedra, and an edgeedge with one MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Mn–Sb bond distances ranging from 2.74–2.80 Å. In the third Mn2+ site, Mn2+ is bonded to four Sb+2.54- atoms to form MnSb4 tetrahedra that share corners with four equivalent EuSb6 octahedra, a cornercorner with one EuSb7 pentagonal bipyramid, corners with four MnSb4 tetrahedra, edges with four EuSb6 octahedra, an edgeedge with one MnSb4 tetrahedra, and a faceface with one EuSb7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 38–62°. There are a spread of Mn–Sb bond distances ranging from 2.67–2.79 Å. In the fourth Mn2+ site, Mn2+ is bonded to four Sb+2.54- atoms to form MnSb4 tetrahedra that share corners with four EuSb6 octahedra, corners with two equivalent EuSb7 pentagonal bipyramids, corners with four MnSb4 tetrahedra, edges with four EuSb6 octahedra, an edgeedge with one EuSb7 pentagonal bipyramid, and an edgeedge with one MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–62°. There are a spread of Mn–Sb bond distances ranging from 2.67–2.79 Å. There are nine inequivalent Sb+2.54- sites. In the first Sb+2.54- site, Sb+2.54- is bonded in a 7-coordinate geometry to six Eu+2.10+ and one Mn2+ atom. In the second Sb+2.54- site, Sb+2.54- is bonded in a 7-coordinate geometry to three Eu+2.10+ and four Mn2+ atoms. In the third Sb+2.54- site, Sb+2.54- is bonded in a 8-coordinate geometry to six Eu+2.10+ and two Mn2+ atoms. In the fourth Sb+2.54- site, Sb+2.54- is bonded in a 9-coordinate geometry to six Eu+2.10+, two Mn2+, and one Sb+2.54- atom. The Sb–Sb bond length is 3.00 Å. In the fifth Sb+2.54- site, Sb+2.54- is bonded in a 5-coordinate geometry to five Eu+2.10+, two Mn2+, and one Sb+2.54- atom. The Sb–Sb bond length is 3.00 Å. In the sixth Sb+2.54- site, Sb+2.54- is bonded in a 7-coordinate geometry to six Eu+2.10+ and one Mn2+ atom. In the seventh Sb+2.54- site, Sb+2.54- is bonded in a 4-coordinate geometry to four Sb+2.54- atoms. There are one shorter (3.23 Å) and one longer (3.31 Å) Sb–Sb bond lengths. In the eighth Sb+2.54- site, Sb+2.54- is bonded in a 9-coordinate geometry to six Eu+2.10+ and two equivalent Sb+2.54- atoms. In the ninth Sb+2.54- site, Sb+2.54- is bonded in a 8-coordinate geometry to six Eu+2.10+ and two Mn2+ atoms.