cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1277551
title: Materials Data on Cs2Pd(ICl2)2 by Materials Project

description: Cs2Pd(ICl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to four equivalent I1- and eight equivalent Cl1- atoms. All Cs–I bond lengths are 4.28 Å. All Cs–Cl bond lengths are 3.78 Å. Pd4+ is bonded in a distorted octahedral geometry to two equivalent I1- and four equivalent Cl1- atoms. Both Pd–I bond lengths are 3.10 Å. All Pd–Cl bond lengths are 2.33 Å. I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Cl1- atoms. The I–I bond length is 2.85 Å. There are four shorter (3.87 Å) and four longer (3.88 Å) I–Cl bond lengths. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.
DOI: 10.17188/1277552
title: Materials Data on Mg3Al2(SiO4)3 by Materials Project

description: Mg3Al2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.22 Å) and four longer (2.37 Å) Mg–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.90 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Si–O bond lengths are 1.65 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1277553
title: Materials Data on TlFeO2 by Materials Project

description: FeTlO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. There is one shorter (1.87 Å) and three longer (1.90 Å) Fe–O bond length. Tl1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Fe3+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ atoms.
DOI: 10.17188/1277554
title: Materials Data on Zn5B3Ir7 by Materials Project

description: Ir7Zn5B3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to six Zn atoms. There are a spread of Ir–Zn bond distances ranging from 2.54–3.00 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to two equivalent Zn and four B atoms. Both Ir–Zn bond lengths are 2.86 Å. There are two shorter (2.18 Å) and two longer (2.20 Å) Ir–B bond lengths. In the third Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Ir–Zn bond lengths are 2.79 Å. All Ir–B bond lengths are 2.20 Å. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to ten Zn atoms. There are six shorter (2.63 Å) and four longer (2.66 Å) Ir–Zn bond lengths. In the fifth Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent B atoms. All Ir–Zn bond lengths are 2.70 Å. All Ir–B bond lengths are 2.25 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Ir and four Zn atoms. There are two shorter (2.62 Å) and two longer (2.82 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 6-coordinate geometry to six Ir and one Zn atom. In the third Zn site, Zn is bonded in a 6-coordinate geometry to six Ir and two equivalent Zn atoms. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Ir atoms. In the second B site, B is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ir atoms.
DOI: 10.17188/1277555
title: Materials Data on RuN2 by Materials Project

description: RuN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent N3- atoms to form RuN6 octahedra that share corners with eight equivalent RuN6 octahedra, corners with six equivalent NRu3N tetrahedra, and edges with two equivalent RuN6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are two shorter (2.08 Å) and four longer (2.12 Å) Ru–N bond lengths. N3- is bonded to three equivalent Ru6+ and one N3- atom to form distorted NRu3N tetrahedra that share corners with three equivalent RuN6 octahedra, corners with thirteen equivalent NRu3N tetrahedra, and an edgeedge with one NRu3N tetrahedra. The corner-sharing octahedra tilt angles range from 62–66°. The N–N bond length is 1.34 Å.
DOI: 10.17188/1277556
title: Materials Data on Al2CrCl8 by Materials Project

description: CrAl2Cl8 crystallizes in the orthorhombic Pca2_1 space group. The structure is one-dimensional and consists of four CrAl2Cl8 ribbons oriented in the (1, 0, 0) direction. Cr2+ is bonded to six Cl1- atoms to form CrCl6 octahedra that share corners with two AlCl4 tetrahedra and edges with two AlCl4 tetrahedra. There are a spread of Cr–Cl bond distances ranging from 2.41–2.99 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CrCl6 octahedra and an edgeedge with one CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Al–Cl bond distances ranging from 2.11–2.23 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share a cornercorner with one CrCl6 octahedra and an edgeedge with one CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Al–Cl bond distances ranging from 2.11–2.23 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cr2+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cr2+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cr2+ and one Al3+ atom. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cr2+ and one Al3+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1277557
title: Materials Data on KRb2TiF6 by Materials Project

description: Rb2KTiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent TiF6 octahedra. All Rb–F bond lengths are 3.23 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent TiF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.56 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.99 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Ti3+ atom.
DOI: 10.17188/1277558
title: Materials Data on Hf5CuPb3 by Materials Project

description: Hf5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Hf–Pb bond lengths are 3.07 Å. In the second Hf site, Hf is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing HfCu2Pb5 pentagonal bipyramids. Both Hf–Cu bond lengths are 2.68 Å. There are a spread of Hf–Pb bond distances ranging from 2.98–3.15 Å. Cu is bonded to six equivalent Hf atoms to form face-sharing CuHf6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1277559
title: Materials Data on ReCl3O2 by Materials Project

description: ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.
DOI: 10.17188/1277560
title: Materials Data on Na2In5Au6 by Materials Project

description: Na2Au6In5 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to one Na, six equivalent Au, and eight In atoms. The Na–Na bond length is 3.26 Å. There are two shorter (3.21 Å) and four longer (3.25 Å) Na–Au bond lengths. There are a spread of Na–In bond distances ranging from 3.47–3.59 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to three equivalent Na and four In atoms. There are a spread of Au–In bond distances ranging from 2.76–2.96 Å. In the second Au site, Au is bonded in a 6-coordinate geometry to six In atoms. There are four shorter (2.91 Å) and two longer (2.95 Å) Au–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to three equivalent Na and six Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to four equivalent Na and four Au atoms. In the third In site, In is bonded in a cuboctahedral geometry to twelve equivalent Au atoms.
DOI: 10.17188/1277561
title: Materials Data on In3Ru by Materials Project

description: RuIn3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ru is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Ru–In bond distances ranging from 2.68–2.81 Å. There are two inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ru atoms. In the second In site, In is bonded in a 1-coordinate geometry to three equivalent Ru atoms.
DOI: 10.17188/1277563
title: Materials Data on Re2Cl5O4 by Materials Project

description: Re2O4Cl5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re2O4Cl5 clusters. there are two inequivalent Re+6.50+ sites. In the first Re+6.50+ site, Re+6.50+ is bonded in a tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.72 Å) and one longer (1.75 Å) Re–O bond length. The Re–Cl bond length is 2.22 Å. In the second Re+6.50+ site, Re+6.50+ is bonded in a 1-coordinate geometry to two O2- and four Cl1- atoms. There are one shorter (1.69 Å) and one longer (2.57 Å) Re–O bond lengths. There are two shorter (2.29 Å) and two longer (2.30 Å) Re–Cl bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Re+6.50+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.50+ atom.
DOI: 10.17188/1277564
title: Materials Data on CaMoO3 by Materials Project

description: CaMoO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Mo–O bond distances ranging from 2.05–2.11 Å. In the second Mo4+ site, Mo4+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Mo–O bond distances ranging from 2.03–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Mo4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Mo4+ atoms. In the third O2- site, O2- is bonded to two equivalent Ca2+ and two Mo4+ atoms to form distorted corner-sharing OCa2Mo2 tetrahedra.
DOI: 10.17188/1277565
title: Materials Data on Zr4In5Co2 by Materials Project

description: Zr4Co2In5 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to four equivalent Co and six In atoms. There are two shorter (2.65 Å) and two longer (2.70 Å) Zr–Co bond lengths. There are a spread of Zr–In bond distances ranging from 3.17–3.29 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Co and eight In atoms. Both Zr–Co bond lengths are 2.59 Å. There are a spread of Zr–In bond distances ranging from 3.07–3.22 Å. Co is bonded in a 6-coordinate geometry to six Zr, one Co, and two In atoms. The Co–Co bond length is 2.60 Å. There are one shorter (2.81 Å) and one longer (2.87 Å) Co–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded to six Zr, one Co, and five In atoms to form a mixture of distorted corner and face-sharing InZr6In5Co cuboctahedra. There are a spread of In–In bond distances ranging from 3.01–3.31 Å. In the second In site, In is bonded in a 12-coordinate geometry to six Zr, one Co, and five In atoms. There are a spread of In–In bond distances ranging from 2.98–3.37 Å. In the third In site, In is bonded in a 10-coordinate geometry to four equivalent Zr and six In atoms. Both In–In bond lengths are 3.31 Å.
DOI: 10.17188/1277566
title: Materials Data on CsSc3(CuTe3)2 by Materials Project

description: CsSc3(CuTe3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.93–4.27 Å. There are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form ScTe6 octahedra that share a cornercorner with one ScTe6 octahedra, corners with four CuTe4 tetrahedra, edges with six ScTe6 octahedra, and a faceface with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Sc–Te bond distances ranging from 2.91–3.01 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form ScTe6 octahedra that share a cornercorner with one ScTe6 octahedra, corners with four CuTe4 tetrahedra, edges with six ScTe6 octahedra, and a faceface with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Sc–Te bond distances ranging from 2.90–3.02 Å. In the third Sc3+ site, Sc3+ is bonded to six Te2- atoms to form ScTe6 octahedra that share corners with two ScTe6 octahedra, corners with four CuTe4 tetrahedra, and edges with six ScTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Sc–Te bond distances ranging from 2.92–2.95 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six ScTe6 octahedra, corners with two equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, and a faceface with one ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Cu–Te bond distances ranging from 2.61–2.70 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six ScTe6 octahedra, corners with two equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, and a faceface with one ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of Cu–Te bond distances ranging from 2.61–2.71 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, three Sc3+, and one Cu1+ atom. In the second Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to one Cs1+ and four Sc3+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to two equivalent Cs1+, two equivalent Sc3+, and three Cu1+ atoms. In the fourth Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to one Cs1+ and four Sc3+ atoms. In the fifth Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, three Sc3+, and one Cu1+ atom. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to two equivalent Cs1+, two equivalent Sc3+, and three Cu1+ atoms.
DOI: 10.17188/1277567
title: Materials Data on RbEuSiS4 by Materials Project

description: RbEuSiS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.67 Å. Eu3+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with two equivalent EuS7 pentagonal bipyramids, a cornercorner with one SiS4 tetrahedra, edges with two equivalent EuS7 pentagonal bipyramids, and edges with three equivalent SiS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 2.85–3.05 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share a cornercorner with one EuS7 pentagonal bipyramid and edges with three equivalent EuS7 pentagonal bipyramids. There are a spread of Si–S bond distances ranging from 2.10–2.13 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Eu3+, and one Si4+ atom. In the third S2- site, S2- is bonded to three equivalent Rb1+, one Eu3+, and one Si4+ atom to form distorted corner-sharing SRb3EuSi trigonal bipyramids. In the fourth S2- site, S2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Eu3+, and one Si4+ atom.
DOI: 10.17188/1277568
title: Materials Data on Ba2Li(BO2)5 by Materials Project

description: Ba2LiB5O10 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–1.96 Å. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.07 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with two equivalent LiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ba2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, two equivalent Ba2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ba2+, and two B3+ atoms.
DOI: 10.17188/1277569
title: Materials Data on Pr(In2Au)2 by Materials Project

description: Pr(AuIn2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.07 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.91 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.07 Å. In the fourth Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the third In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the seventh In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms.