cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1192800
title: Materials Data on BaSm2O4 by Materials Project

description: Sm2BaO4 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 Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Sm–O bond distances ranging from 2.33–2.43 Å. In the second Sm3+ site, Sm3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Sm–O bond distances ranging from 2.32–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Sm3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Sm3+ atoms. In the third O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Sm3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Sm3+ atoms.
DOI: 10.17188/1192801
title: Materials Data on Na2Ge2Se5 by Materials Project

description: Na2Ge2Se5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Se2- atoms to form distorted NaSe6 pentagonal pyramids that share corners with four equivalent NaSe6 pentagonal pyramids, corners with two equivalent GeSe4 tetrahedra, a cornercorner with one NaSe5 trigonal bipyramid, edges with three GeSe4 tetrahedra, and edges with four equivalent NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.94–3.33 Å. In the second Na1+ site, Na1+ is bonded to five Se2- atoms to form distorted NaSe5 trigonal bipyramids that share a cornercorner with one NaSe6 pentagonal pyramid, corners with six GeSe4 tetrahedra, corners with four equivalent NaSe5 trigonal bipyramids, and edges with four equivalent NaSe6 pentagonal pyramids. There are a spread of Na–Se bond distances ranging from 3.00–3.28 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent NaSe6 pentagonal pyramids, corners with three equivalent GeSe4 tetrahedra, corners with three equivalent NaSe5 trigonal bipyramids, and an edgeedge with one NaSe6 pentagonal pyramid. There are a spread of Ge–Se bond distances ranging from 2.31–2.44 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with three equivalent GeSe4 tetrahedra, corners with three equivalent NaSe5 trigonal bipyramids, and edges with two equivalent NaSe6 pentagonal pyramids. There are a spread of Ge–Se bond distances ranging from 2.32–2.43 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Na1+ and one Ge4+ atom to form a mixture of corner and edge-sharing SeNa4Ge trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Na1+ and two Ge4+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Na1+ and two Ge4+ atoms. In the fifth Se2- site, Se2- is bonded to four Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SeNa4Ge trigonal bipyramids.
DOI: 10.17188/1192802
title: Materials Data on KGaTe2 by Materials Project

description: KGaTe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.71–3.74 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.58–3.73 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.65–2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.65–2.67 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two Ga3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four K1+ and two Ga3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to two K1+ and two Ga3+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Ga3+ atoms. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1192803
title: Materials Data on KInP2O7 by Materials Project

description: KInP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.49 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.13–2.19 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one In3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one In3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one In3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one In3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one In3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one In3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two P5+ atoms.
DOI: 10.17188/1192804
title: Materials Data on MnNi by Materials Project

description: NiMn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.52 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1192805
title: Materials Data on Rb2Li14Pr3O14 by Materials Project

description: Rb2Li14Pr3O14 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to four equivalent O2- atoms. All Rb–O bond lengths are 3.20 Å. There are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one PrO6 octahedra, corners with five LiO4 tetrahedra, corners with two equivalent LiO4 trigonal pyramids, edges with two PrO6 octahedra, edges with two LiO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 68°. There are a spread of Li–O bond distances ranging from 1.96–2.24 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four PrO6 octahedra, corners with four equivalent LiO4 tetrahedra, corners with two equivalent LiO4 trigonal pyramids, and edges with five LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–42°. All Li–O bond lengths are 1.97 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with three PrO6 octahedra, corners with five LiO4 tetrahedra, an edgeedge with one PrO6 octahedra, edges with two equivalent LiO4 tetrahedra, and an edgeedge with one LiO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 4–45°. There are a spread of Li–O bond distances ranging from 1.93–2.27 Å. There are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent LiO4 trigonal pyramids, edges with two equivalent PrO6 octahedra, and edges with eight equivalent LiO4 tetrahedra. There are two shorter (2.29 Å) and four longer (2.41 Å) Pr–O bond lengths. In the second Pr4+ site, Pr4+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with six LiO4 tetrahedra, corners with four equivalent LiO4 trigonal pyramids, an edgeedge with one PrO6 octahedra, edges with four equivalent LiO4 tetrahedra, and edges with two equivalent LiO4 trigonal pyramids. There are a spread of Pr–O bond distances ranging from 2.33–2.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and two Pr4+ atoms to form distorted OLi3Pr2 square pyramids that share corners with two equivalent OLi3Pr2 square pyramids, edges with two equivalent OLi6Pr hexagonal pyramids, and an edgeedge with one OLi3Pr2 square pyramid. In the second O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent Rb1+, four Li1+, and one Pr4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Pr4+ atom. In the fourth O2- site, O2- is bonded to six Li1+ and one Pr4+ atom to form distorted OLi6Pr hexagonal pyramids that share a cornercorner with one OLi6Pr hexagonal pyramid, an edgeedge with one OLi6Pr hexagonal pyramid, and edges with four equivalent OLi3Pr2 square pyramids.
DOI: 10.17188/1192806
title: Materials Data on Zn2Hg2OF6 by Materials Project

description: Hg2Zn2OF6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent O2- and six equivalent F1- atoms to form HgO2F6 hexagonal bipyramids that share edges with six equivalent HgO2F6 hexagonal bipyramids and edges with six equivalent ZnF6 octahedra. Both Hg–O bond lengths are 2.30 Å. All Hg–F bond lengths are 2.64 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with six equivalent HgO2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Zn–F bond lengths are 2.04 Å. O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1192807
title: Materials Data on Cs3GeF7 by Materials Project

description: Cs3GeF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.04–3.27 Å. In the second Cs1+ site, Cs1+ is bonded to six F1- atoms to form CsF6 octahedra that share corners with four equivalent GeF6 octahedra and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. There are two shorter (3.17 Å) and four longer (3.26 Å) Cs–F bond lengths. Ge4+ is bonded to six F1- atoms to form GeF6 octahedra that share corners with four equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Ge–F bond lengths are 1.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six Cs1+ atoms to form corner-sharing FCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ge4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ge4+ atom.
DOI: 10.17188/1192808
title: Materials Data on Na3Hg2 by Materials Project

description: Na3Hg2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six equivalent Hg atoms. There are two shorter (3.16 Å) and four longer (3.30 Å) Na–Hg bond lengths. In the second Na site, Na is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Na–Hg bond lengths are 3.40 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six equivalent Hg atoms. There are two shorter (3.19 Å) and four longer (3.34 Å) Na–Hg bond lengths. Hg is bonded in a 10-coordinate geometry to eight Na and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.07 Å.
DOI: 10.17188/1192809
title: Materials Data on KSrPO4 by Materials Project

description: KSrPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.14 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.06 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, three equivalent Sr2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Sr2+, and one P5+ atom.
DOI: 10.17188/1192810
title: Materials Data on Fe12As5 by Materials Project

description: Fe12As5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to ten Fe and four As atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.87 Å. There are two shorter (2.66 Å) and two longer (2.77 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to three equivalent Fe and four As atoms. There are a spread of Fe–As bond distances ranging from 2.38–2.63 Å. In the third Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to three equivalent Fe and three equivalent As atoms. All Fe–As bond lengths are 2.35 Å. In the fourth Fe site, Fe is bonded in a trigonal bipyramidal geometry to five As atoms. There are two shorter (2.33 Å) and three longer (2.34 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Fe atoms. In the second As site, As is bonded in a 10-coordinate geometry to ten Fe atoms.
DOI: 10.17188/1192811
title: Materials Data on Rb5GeP3 by Materials Project

description: Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Rb1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Rb1+ and one Ge4+ atom.
DOI: 10.17188/1192812
title: Materials Data on BaAl2(SiO4)2 by Materials Project

description: BaAl2Si2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.24 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Al3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Al3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+, one Al3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+, one Al3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1192813
title: Materials Data on CeMg3 by Materials Project

description: Mg3Ce is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ce atoms. All Mg–Mg bond lengths are 3.20 Å. All Mg–Ce bond lengths are 3.20 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ce atoms. All Mg–Ce bond lengths are 3.69 Å. Ce is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1192815
title: Materials Data on K2MoS4 by Materials Project

description: K2MoS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.57 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.46–3.75 Å. Mo6+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Mo–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four K1+ and one Mo6+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom.
DOI: 10.17188/1192816
title: Materials Data on Eu3IrO7 by Materials Project

description: Eu3IrO7 crystallizes in the orthorhombic Cmcm 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 O2- atoms. There are four shorter (2.38 Å) and four longer (2.75 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent IrO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent IrO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Eu–O bond distances ranging from 2.27–2.64 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent IrO6 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 is four shorter (1.96 Å) and two longer (2.00 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ir5+ atoms. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Ir5+ atom.