cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743238
title: Materials Data on BaPr2Mn3O9 by Materials Project

description: BaPr2Mn3O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.25 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 12-coordinate geometry to five O2- atoms. There are a spread of Pr–O bond distances ranging from 2.48–2.53 Å. In the second Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.43–2.82 Å. There are four inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–23°. There is four shorter (1.98 Å) and two longer (1.99 Å) Mn–O bond length. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–27°. There are a spread of Mn–O bond distances ranging from 1.99–2.04 Å. In the third Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–19°. All Mn–O bond lengths are 1.99 Å. In the fourth Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Mn–O bond distances ranging from 1.98–2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, three equivalent Pr3+, and two Mn+3.33+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Pr3+, and two Mn+3.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two Mn+3.33+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, two equivalent Pr3+, and two Mn+3.33+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two equivalent Pr3+, and two Mn+3.33+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Pr3+, and two Mn+3.33+ atoms.
DOI: 10.17188/1743239
title: Materials Data on Ce4In21Pd10 by Materials Project

description: Ce4Pd10In21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.39 Å) and two longer (3.48 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.18–3.94 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.34 Å) and two longer (3.44 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.94 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.69–2.85 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.91 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.84 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Ce and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.75–3.23 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.87 Å. There are eleven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Pd atoms. In the second In site, In is bonded in a 1-coordinate geometry to two Ce and three Pd atoms. In the third In site, In is bonded in a 5-coordinate geometry to two equivalent Ce and three Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Ce and five Pd atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three Ce and four Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to one Ce and four Pd atoms. In the seventh In site, In is bonded in a 3-coordinate geometry to three Ce and three Pd atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent Ce and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pd atoms. In the tenth In site, In is bonded in a 12-coordinate geometry to three equivalent Ce and four Pd atoms. In the eleventh In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.
DOI: 10.17188/1743241
title: Materials Data on Y6Zn(SiS7)2 by Materials Project

description: Y6Zn(SiS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.11 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.00 Å. Zn2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.55 Å) and three longer (2.59 Å) Zn–S bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.10 Å) and three longer (2.15 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.14 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Y3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Y3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Zn2+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Zn2+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Si4+ atom.
DOI: 10.17188/1743242
title: Materials Data on La3MgAlS7 by Materials Project

description: MgLa3AlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S2- atoms to form face-sharing MgS6 octahedra. There are three shorter (2.60 Å) and three longer (2.61 Å) Mg–S bond lengths. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.32 Å. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.26 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent La3+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Al3+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom.
DOI: 10.17188/1743243
title: Materials Data on CoPd by Materials Project

description: PdCo crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Co and six equivalent Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with twelve CoCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, edges with twelve equivalent PdCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with twelve equivalent PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. In the second Co site, Co is bonded to six equivalent Co and six Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with five equivalent PdCo6Pd10 cuboctahedra, corners with twelve CoCo6Pd6 cuboctahedra, edges with ten PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with fifteen PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. In the third Co site, Co is bonded to six equivalent Co and six Pd atoms to form distorted CoCo6Pd6 cuboctahedra that share corners with five equivalent PdCo6Pd10 cuboctahedra, corners with twelve CoCo6Pd6 cuboctahedra, edges with ten PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, faces with six equivalent CoCo6Pd6 cuboctahedra, and faces with fifteen PdCo6Pd6 cuboctahedra. All Co–Co bond lengths are 2.69 Å. All Co–Pd bond lengths are 2.65 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Co and six equivalent Pd atoms to form distorted PdCo6Pd6 cuboctahedra that share corners with twelve PdCo6Pd6 cuboctahedra, edges with twelve CoCo6Pd6 cuboctahedra, edges with twelve PdCo6Pd6 cuboctahedra, faces with six equivalent PdCo6Pd6 cuboctahedra, and faces with twelve CoCo6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.69 Å. In the second Pd site, Pd is bonded to six Co and ten equivalent Pd atoms to form distorted PdCo6Pd10 cuboctahedra that share corners with ten CoCo6Pd6 cuboctahedra, corners with twelve PdCo6Pd6 cuboctahedra, edges with eight CoCo6Pd6 cuboctahedra, edges with sixteen PdCo6Pd6 cuboctahedra, faces with sixteen equivalent PdCo6Pd10 cuboctahedra, and faces with eighteen CoCo6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.69–5.38 Å.
DOI: 10.17188/1743244
title: Materials Data on MgSn3 by Materials Project

description: MgSn3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.20–3.39 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and six equivalent Sn atoms. There are two shorter (3.30 Å) and four longer (3.46 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Sn atoms. There are four shorter (3.21 Å) and two longer (3.38 Å) Sn–Sn bond lengths.
DOI: 10.17188/1743245
title: Materials Data on K3Lu(PO4)2 by Materials Project

description: K3Lu(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.88 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.14 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.13 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Lu–O bond distances ranging from 2.16–2.27 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 LuO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 10–18°. There is one shorter (1.54 Å) and three longer (1.57 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Lu3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three K1+, one Lu3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Lu3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Lu3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom.
DOI: 10.17188/1743246
title: Materials Data on EuAs by Materials Project

description: EuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are four shorter (3.07 Å) and two longer (3.09 Å) Eu–As bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. All Eu–As bond lengths are 3.11 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.78 Å. In the second As3- site, As3- is bonded in a 7-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.63 Å.
DOI: 10.17188/1743247
title: Materials Data on NaEuO2 by Materials Project

description: NaEuO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent EuO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with eight equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are four shorter (2.39 Å) and two longer (2.98 Å) Na–O bond lengths. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent EuO6 octahedra, edges with four equivalent EuO6 octahedra, and edges with eight equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.34 Å) and four longer (2.39 Å) Eu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.39 Å) and one longer (2.98 Å) O–Na bond lengths. In the second O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the third O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the fourth O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are one shorter (2.34 Å) and two longer (2.39 Å) O–Eu bond lengths.
DOI: 10.17188/1743248
title: Materials Data on AlHg2O2F5 by Materials Project

description: (HgO)2AlF5 crystallizes in the tetragonal I4cm space group. The structure is one-dimensional and consists of eight quecksilber(i)-hydroxid molecules and two AlF5 ribbons oriented in the (0, 0, 1) direction. In each AlF5 ribbon, Al is bonded to six F atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Al–F bond distances ranging from 1.83–1.86 Å. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Al atoms. In the second F site, F is bonded in a single-bond geometry to one Al atom.
DOI: 10.17188/1743249
title: Materials Data on BaYb2CoO5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743250
title: Materials Data on NdH5(SeO4)2 by Materials Project

description: NdH3Se2O7H2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four water molecules and one NdH3Se2O7 framework. In the NdH3Se2O7 framework, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.57 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.75 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, 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 (1.70 Å) and two longer (1.75 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.81 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nd3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nd3+, one H1+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Nd3+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one H1+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and two H1+ atoms.
DOI: 10.17188/1743251
title: Materials Data on BiSe2 by Materials Project

description: BiSe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five Se+1.50- atoms. There are a spread of Bi–Se bond distances ranging from 2.75–3.04 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six Se+1.50- atoms. There are a spread of Bi–Se bond distances ranging from 2.75–3.60 Å. There are four inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se+1.50- atom. The Se–Se bond length is 2.40 Å. In the second Se+1.50- site, Se+1.50- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi3+ and one Se+1.50- atom. The Se–Se bond length is 2.39 Å. In the third Se+1.50- site, Se+1.50- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fourth Se+1.50- site, Se+1.50- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.
DOI: 10.17188/1743252
title: Materials Data on Lu3Mg2TiS8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1743253
title: Materials Data on LiTl2Pd by Materials Project

description: LiPdTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 2.97 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pd–Tl bond lengths are 2.97 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1743254
title: Materials Data on Tm12Co5Bi by Materials Project

description: Tm12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Tm–Co bond distances ranging from 2.84–3.19 Å. The Tm–Bi bond length is 3.56 Å. In the second Tm site, Tm is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.65 Å) and two longer (2.82 Å) Tm–Co bond lengths. The Tm–Bi bond length is 3.41 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are a spread of Tm–Co bond distances ranging from 2.65–3.31 Å. The Tm–Bi bond length is 3.36 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. The Co–Co bond length is 2.32 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Tm and one Co atom. The Co–Co bond length is 2.19 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Tm atoms. Bi is bonded in a cuboctahedral geometry to twelve Tm atoms.
DOI: 10.17188/1743255
title: Materials Data on CeAl2Ni by Materials Project

description: CeNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.83 Å) and two longer (3.09 Å) Ce–Ni bond lengths. There are a spread of Ce–Al bond distances ranging from 3.10–3.33 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. There are two shorter (2.48 Å) and four longer (2.54 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Ce and three equivalent Ni atoms.
DOI: 10.17188/1743256
title: Materials Data on YbEu3 by Materials Project

description: YbEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.79 Å) and six longer (4.37 Å) Yb–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.79 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Eu atoms.
DOI: 10.17188/1743257
title: Materials Data on Na2YAgF6 by Materials Project

description: (Na)2YAgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one YAgF6 framework. In the YAgF6 framework, Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.17 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent YF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.40 Å. F1- is bonded in a linear geometry to one Y3+ and one Ag1+ atom.