cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1749734
title: Materials Data on P6(Pb2O5)5 by Materials Project

description: P6(Pb2O5)5 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–3.00 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.55–2.96 Å. In the third Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.94 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–3.08 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.90 Å. In the sixth Pb2+ site, Pb2+ is bonded to six O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with four PO4 tetrahedra and an edgeedge with one PO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.31–2.90 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 two equivalent PbO6 pentagonal pyramids. There is three shorter (1.56 Å) and one longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PbO6 pentagonal pyramids and an edgeedge with one PbO6 pentagonal pyramid. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom.
DOI: 10.17188/1749735
title: Materials Data on Cd2AgPd by Materials Project

description: PdAgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PdAgCd2 ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to two equivalent Cd atoms. Both Pd–Cd bond lengths are 2.61 Å. Ag is bonded in a linear geometry to two equivalent Cd atoms. Both Ag–Cd bond lengths are 2.70 Å. Cd is bonded in a linear geometry to one Pd and one Ag atom.
DOI: 10.17188/1749736
title: Materials Data on LiP2WO8 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: 10.17188/1749737
title: Materials Data on CaLaAu2 by Materials Project

description: CaLaAu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaLaAu2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Au atoms. Both Ca–Au bond lengths are 2.79 Å. La is bonded in a linear geometry to two equivalent Au atoms. Both La–Au bond lengths are 2.79 Å. Au is bonded in a linear geometry to one Ca and one La atom.
DOI: 10.17188/1749738
title: Materials Data on Li2Mn3(BO3)3 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: 10.17188/1749739
title: Materials Data on Ta2CrO6 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: 10.17188/1749740
title: Materials Data on RbReN2 by Materials Project

description: RbReN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.21–3.42 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.12–3.51 Å. There are two inequivalent Re5+ sites. In the first Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.89 Å) Re–N bond length. In the second Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There are a spread of Re–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three Rb1+ and two equivalent Re5+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Re5+ atoms. In the third N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Re5+ atoms. In the fourth N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Re5+ atoms.
DOI: 10.17188/1749741
title: Materials Data on Zr(WO4)2 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: 10.17188/1749742
title: Materials Data on AlTc2Sb by Materials Project

description: Tc2AlSb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2AlSb ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to one Al3+ and one Sb3+ atom. The Tc–Al bond length is 2.49 Å. The Tc–Sb bond length is 2.53 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Sb3+ is bonded in a linear geometry to two equivalent Tc3- atoms.
DOI: 10.17188/1749743
title: Materials Data on Li3Fe(SbO3)4 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: 10.17188/1749744
title: Materials Data on K3PrI6 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: 10.17188/1749745
title: Materials Data on Al(V4Sn)3 by Materials Project

description: Al(V4Sn)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six V, two equivalent Al, and two equivalent Sn atoms. There are a spread of V–V bond distances ranging from 2.27–3.02 Å. Both V–Al bond lengths are 2.72 Å. Both V–Sn bond lengths are 2.79 Å. In the second V site, V is bonded in a 6-coordinate geometry to two V and four Sn atoms. The V–V bond length is 2.46 Å. All V–Sn bond lengths are 2.76 Å. In the third V site, V is bonded in a 6-coordinate geometry to four V, one Al, and three Sn atoms. There are a spread of V–V bond distances ranging from 2.41–2.91 Å. The V–Al bond length is 2.65 Å. There are two shorter (2.78 Å) and one longer (2.81 Å) V–Sn bond lengths. In the fourth V site, V is bonded in a 3-coordinate geometry to ten V, two equivalent Al, and two equivalent Sn atoms. There are one shorter (2.28 Å) and one longer (2.67 Å) V–V bond lengths. Both V–Al bond lengths are 2.72 Å. Both V–Sn bond lengths are 2.78 Å. In the fifth V site, V is bonded in a 6-coordinate geometry to two equivalent V and four Sn atoms. There are one shorter (2.47 Å) and one longer (2.48 Å) V–V bond lengths. There are two shorter (2.75 Å) and two longer (2.76 Å) V–Sn bond lengths. Al is bonded to twelve V atoms to form AlV12 cuboctahedra that share edges with two equivalent SnV12 cuboctahedra, edges with four equivalent AlV12 cuboctahedra, and faces with eight equivalent SnV12 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to twelve V atoms to form SnV12 cuboctahedra that share edges with two equivalent AlV12 cuboctahedra, edges with four equivalent SnV12 cuboctahedra, and faces with eight equivalent SnV12 cuboctahedra. In the second Sn site, Sn is bonded to twelve V atoms to form SnV12 cuboctahedra that share edges with six equivalent SnV12 cuboctahedra, faces with four equivalent AlV12 cuboctahedra, and faces with four equivalent SnV12 cuboctahedra.
DOI: 10.17188/1749746
title: Materials Data on Mn10CoN9 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: 10.17188/1749747
title: Materials Data on LiSi2B by Materials Project

description: LiBSi2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Li is bonded in a 2-coordinate geometry to two equivalent B and nine Si atoms. Both Li–B bond lengths are 2.34 Å. There are a spread of Li–Si bond distances ranging from 2.59–2.85 Å. B is bonded to two equivalent Li and four Si atoms to form a mixture of distorted edge and corner-sharing BLi2Si4 octahedra. The corner-sharing octahedral tilt angles are 73°. There are two shorter (2.05 Å) and two longer (2.08 Å) B–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to five equivalent Li, two equivalent B, and two Si atoms. There are one shorter (2.46 Å) and one longer (2.47 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 2-coordinate geometry to four equivalent Li, two equivalent B, and two Si atoms. The Si–Si bond length is 2.51 Å.
DOI: 10.17188/1749748
title: Materials Data on LiFe2OF5 by Materials Project

description: LiFe2OF5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to one O2- and five F1- atoms to form LiOF5 octahedra that share corners with eight equivalent FeOF5 octahedra and edges with two equivalent FeOF5 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. The Li–O bond length is 2.02 Å. There are a spread of Li–F bond distances ranging from 2.08–2.10 Å. In the second Li1+ site, Li1+ is bonded to one O2- and five F1- atoms to form LiOF5 octahedra that share corners with eight equivalent FeOF5 octahedra and edges with two equivalent FeOF5 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. The Li–O bond length is 2.02 Å. There are three shorter (2.08 Å) and two longer (2.11 Å) Li–F bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to one O2- and five F1- atoms to form FeOF5 octahedra that share corners with four equivalent LiOF5 octahedra, corners with four equivalent FeOF5 octahedra, an edgeedge with one LiOF5 octahedra, and an edgeedge with one FeOF5 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. The Fe–O bond length is 1.88 Å. There are a spread of Fe–F bond distances ranging from 2.00–2.05 Å. In the second Fe3+ site, Fe3+ is bonded to one O2- and five F1- atoms to form FeOF5 octahedra that share corners with four equivalent LiOF5 octahedra, corners with four equivalent FeOF5 octahedra, an edgeedge with one LiOF5 octahedra, and an edgeedge with one FeOF5 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. The Fe–O bond length is 1.88 Å. There are a spread of Fe–F bond distances ranging from 2.00–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Fe3+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the fourth F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Fe3+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the sixth F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1749749
title: Materials Data on NaLa2Se3 by Materials Project

description: NaLa2Se3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent LaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Na–Se bond lengths are 3.09 Å. La+2.50+ is bonded to six Se2- atoms to form LaSe6 octahedra that share corners with three equivalent NaSe6 octahedra, corners with three equivalent LaSe6 octahedra, edges with three equivalent NaSe6 octahedra, and edges with nine equivalent LaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (3.01 Å) and three longer (3.09 Å) La–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Na1+ and three equivalent La+2.50+ atoms to form a mixture of corner and edge-sharing SeNa3La3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second Se2- site, Se2- is bonded to six equivalent La+2.50+ atoms to form a mixture of corner and edge-sharing SeLa6 octahedra. The corner-sharing octahedral tilt angles are 2°.
DOI: 10.17188/1749750
title: Materials Data on SbH8C2S2Br3N4O by Materials Project

description: (C2SbN4H8S2Br3)2O2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight water molecules and four C2SbN4H8S2Br3 clusters. In each C2SbN4H8S2Br3 cluster, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.32 Å) and one longer (1.33 Å) C–N bond length. The C–S bond length is 1.75 Å. Sb5+ is bonded to two equivalent S2- and four Br1- atoms to form edge-sharing SbS2Br4 octahedra. Both Sb–S bond lengths are 2.60 Å. There are a spread of Sb–Br bond distances ranging from 2.68–3.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. S2- is bonded in a distorted water-like geometry to one C4+ and one Sb5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms.
DOI: 10.17188/1749751
title: Materials Data on MgMnPO5 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: 10.17188/1749752
title: Materials Data on LiFe(PO3)4 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: 10.17188/1749753
title: Materials Data on Co(CuO2)4 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: 10.17188/1749754
title: Materials Data on K2TiCuF6 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: 10.17188/1749755
title: Materials Data on Li3V2F12 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: 10.17188/1749756
title: Materials Data on AlI3N5 by Materials Project

description: AlN5I3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two AlN5I3 sheets oriented in the (0, 1, 0) direction. Al3+ is bonded in a distorted trigonal bipyramidal geometry to five N atoms. There are a spread of Al–N bond distances ranging from 1.90–2.06 Å. There are three inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Al3+ atom. In the second N site, N is bonded in a 1-coordinate geometry to one Al3+ and two equivalent I1- atoms. Both N–I bond lengths are 2.06 Å. In the third N site, N is bonded in a 2-coordinate geometry to one Al3+ and one I1- atom. The N–I bond length is 1.94 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent N atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent N atoms.
DOI: 10.17188/1749757
title: Materials Data on YTc2 by Materials Project

description: YTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Tc atoms. There are nine shorter (3.16 Å) and three longer (3.17 Å) Y–Tc bond lengths. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Y and six equivalent Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc site, Tc is bonded to six equivalent Y and six Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.77 Å) Tc–Tc bond lengths.
DOI: 10.17188/1749758
title: Materials Data on C4SBr4 by Materials Project

description: (BrC)2C2SBr2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four bis(bromomethyl) sulfide molecules and eight bromomethane molecules.
DOI: 10.17188/1749759
title: Materials Data on Li3VSiCO7 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: 10.17188/1749760
title: Materials Data on Th(SiO)2 by Materials Project

description: Th(SiO)2 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight Th(SiO)2 clusters. Th4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Th–O bond lengths are 2.14 Å. Si is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.72 Å. O2- is bonded in a water-like geometry to one Th4+ and one Si atom.
DOI: 10.17188/1749761
title: Materials Data on ZnPd2 by Materials Project

description: Pd2Zn crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Pd–Pd bond lengths are 2.80 Å. All Pd–Zn bond lengths are 2.59 Å. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.68 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to twelve Pd and two equivalent Zn atoms. All Pd–Pd bond lengths are 3.06 Å. Both Pd–Zn bond lengths are 3.20 Å. Zn is bonded in a body-centered cubic geometry to nine Pd atoms.
DOI: 10.17188/1749762
title: Materials Data on Er3OF10 by Materials Project

description: (Er3F10)2O2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight water molecules and one Er3F10 framework. In the Er3F10 framework, Er is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.18 Å) and four longer (2.35 Å) Er–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two equivalent Er atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three equivalent Er atoms.
DOI: 10.17188/1749763
title: Materials Data on Pr3Sn5 by Materials Project

description: Pr3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.20–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.32–3.61 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Pr and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.28 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Pr and four Sn atoms. There are two shorter (3.09 Å) and one longer (3.12 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Pr and three Sn atoms.