cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312801
title: Materials Data on Sr(BO2)2 by Materials Project

description: SrB2O4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.64 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent BO4 tetrahedra and edges with six equivalent BO4 tetrahedra. There are six shorter (2.76 Å) and six longer (3.00 Å) Sr–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent SrO12 cuboctahedra, corners with four equivalent BO4 tetrahedra, and an edgeedge with one SrO12 cuboctahedra. There are a spread of B–O bond distances ranging from 1.48–1.51 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Sr2+ and two equivalent B3+ atoms.
DOI: 10.17188/1312802
title: Materials Data on CaAs by Materials Project

description: CaAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are four shorter (3.00 Å) and two longer (3.03 Å) Ca–As bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are two shorter (3.04 Å) and four longer (3.07 Å) Ca–As bond lengths. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 7-coordinate geometry to six Ca2+ and one As2- atom. The As–As bond length is 2.59 Å. In the second As2- site, As2- is bonded in a 7-coordinate geometry to six Ca2+ and one As2- atom. The As–As bond length is 2.54 Å.
DOI: 10.17188/1312803
title: Materials Data on AlP by Materials Project

description: AlP is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Al3+ is bonded to four equivalent P3- atoms to form corner-sharing AlP4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.39 Å) Al–P bond lengths. P3- is bonded to four equivalent Al3+ atoms to form corner-sharing PAl4 tetrahedra.
DOI: 10.17188/1312804
title: Materials Data on AlAs by Materials Project

description: AlAs is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Al3+ is bonded to four equivalent As3- atoms to form corner-sharing AlAs4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.49 Å) Al–As bond lengths. As3- is bonded to four equivalent Al3+ atoms to form corner-sharing AsAl4 tetrahedra.
DOI: 10.17188/1312805
title: Materials Data on GaP by Materials Project

description: GaP is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent P3- atoms to form corner-sharing GaP4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.39 Å) Ga–P bond lengths. P3- is bonded to four equivalent Ga3+ atoms to form corner-sharing PGa4 tetrahedra.
DOI: 10.17188/1312806
title: Materials Data on GaAs by Materials Project

description: GaAs is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.50 Å) Ga–As bond lengths. As3- is bonded to four equivalent Ga3+ atoms to form corner-sharing AsGa4 tetrahedra.
DOI: 10.17188/1312807
title: Materials Data on ZnTe by Materials Project

description: ZnTe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form corner-sharing ZnTe4 tetrahedra. There are three shorter (2.68 Å) and one longer (2.69 Å) Zn–Te bond lengths. Te2- is bonded to four equivalent Zn2+ atoms to form corner-sharing TeZn4 tetrahedra.
DOI: 10.17188/1312808
title: Materials Data on BaCdS2 by Materials Project

description: BaCdS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with four equivalent BaS7 pentagonal bipyramids, corners with four equivalent CdS4 trigonal pyramids, edges with four equivalent BaS7 pentagonal bipyramids, edges with five equivalent CdS4 trigonal pyramids, and faces with two equivalent BaS7 pentagonal bipyramids. There are a spread of Ba–S bond distances ranging from 3.22–3.31 Å. Cd2+ is bonded to four S2- atoms to form CdS4 trigonal pyramids that share corners with four equivalent BaS7 pentagonal bipyramids, corners with four equivalent CdS4 trigonal pyramids, and edges with five equivalent BaS7 pentagonal bipyramids. There are a spread of Cd–S bond distances ranging from 2.53–2.77 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ba2+ and two equivalent Cd2+ atoms to form distorted SBa3Cd2 square pyramids that share corners with eight equivalent SBa4Cd2 octahedra, edges with four equivalent SBa4Cd2 octahedra, and edges with four equivalent SBa3Cd2 square pyramids. The corner-sharing octahedra tilt angles range from 23–58°. In the second S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Cd2+ atoms to form SBa4Cd2 octahedra that share corners with four equivalent SBa4Cd2 octahedra, corners with eight equivalent SBa3Cd2 square pyramids, edges with two equivalent SBa4Cd2 octahedra, edges with four equivalent SBa3Cd2 square pyramids, and faces with two equivalent SBa4Cd2 octahedra. The corner-sharing octahedral tilt angles are 58°.
DOI: 10.17188/1312809
title: Materials Data on Tc2As3 by Materials Project

description: Tc2As3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Tc+0.50+ sites. In the first Tc+0.50+ site, Tc+0.50+ is bonded to six As+0.33- atoms to form a mixture of distorted edge, face, and corner-sharing TcAs6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There are a spread of Tc–As bond distances ranging from 2.47–2.71 Å. In the second Tc+0.50+ site, Tc+0.50+ is bonded to six As+0.33- atoms to form a mixture of distorted edge, face, and corner-sharing TcAs6 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of Tc–As bond distances ranging from 2.48–2.60 Å. In the third Tc+0.50+ site, Tc+0.50+ is bonded to six As+0.33- atoms to form a mixture of edge, face, and corner-sharing TcAs6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There are a spread of Tc–As bond distances ranging from 2.46–2.58 Å. In the fourth Tc+0.50+ site, Tc+0.50+ is bonded to six As+0.33- atoms to form a mixture of edge, face, and corner-sharing TcAs6 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of Tc–As bond distances ranging from 2.45–2.58 Å. There are six inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one As+0.33- atom. The As–As bond length is 2.49 Å. In the second As+0.33- site, As+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one As+0.33- atom. In the third As+0.33- site, As+0.33- is bonded in a distorted rectangular see-saw-like geometry to four Tc+0.50+ atoms. In the fourth As+0.33- site, As+0.33- is bonded in a 4-coordinate geometry to four Tc+0.50+ atoms. In the fifth As+0.33- site, As+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one As+0.33- atom. The As–As bond length is 2.82 Å. In the sixth As+0.33- site, As+0.33- is bonded in a 5-coordinate geometry to four Tc+0.50+ and one As+0.33- atom. The As–As bond length is 2.70 Å.
DOI: 10.17188/1312810
title: Materials Data on HoAl3(PbO4)2 by Materials Project

description: HoAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Ho3+ is bonded to eight O2- atoms to form HoO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.26 Å) and six longer (2.55 Å) Ho–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form distorted AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent HoO8 hexagonal bipyramids. All Al–O bond lengths are 1.75 Å. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (3.13 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OHoPb3 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+, two equivalent Al3+, and one Pb2+ atom.
DOI: 10.17188/1312811
title: Materials Data on Cr3B4 by Materials Project

description: Cr3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Cr–B bond distances ranging from 2.14–2.27 Å. In the second Cr2+ site, Cr2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are eight shorter (2.25 Å) and four longer (2.34 Å) Cr–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Cr2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Cr2+ and three B+1.50- atoms. The B–B bond length is 1.73 Å.
DOI: 10.17188/1312812
title: Materials Data on Cs(SbS2)2 by Materials Project

description: Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å. There are four inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two Sb3+ atoms. In the second S+1.75- site, S+1.75- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two Sb3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sb3+, and one S+1.75- atom. The S–S bond length is 2.09 Å. In the fourth S+1.75- site, S+1.75- is bonded to one Cs1+ and three Sb3+ atoms to form distorted edge-sharing SCsSb3 trigonal pyramids.
DOI: 10.17188/1312813
title: Materials Data on K2Zr(BO3)2 by Materials Project

description: K2Zr(BO3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.84 Å) and three longer (3.04 Å) K–O bond lengths. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.12 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one Zr4+, and one B3+ atom.
DOI: 10.17188/1312814
title: Materials Data on LiInF4 by Materials Project

description: LiInF4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent InF6 octahedra, an edgeedge with one InF6 octahedra, and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are four shorter (2.00 Å) and two longer (2.15 Å) Li–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with four equivalent InF6 octahedra, corners with six equivalent LiF6 octahedra, and an edgeedge with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of In–F bond distances ranging from 2.05–2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one In3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent In3+ atoms.
DOI: 10.17188/1312815
title: Materials Data on Ca2B4Rh5 by Materials Project

description: Ca2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.07–3.25 Å. There are two shorter (3.01 Å) and four longer (3.19 Å) Ca–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.12 Å. B is bonded in a 5-coordinate geometry to three equivalent Ca and five Rh atoms.
DOI: 10.17188/1312816
title: Materials Data on Sr2B4Rh5 by Materials Project

description: Sr2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Sr–Rh bond distances ranging from 3.13–3.33 Å. There are two shorter (3.07 Å) and four longer (3.26 Å) Sr–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.19 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.15 Å. B is bonded in a 5-coordinate geometry to three equivalent Sr and five Rh atoms.
DOI: 10.17188/1312817
title: Materials Data on TaAlO4 by Materials Project

description: TaAlO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with six equivalent AlO6 octahedra, and an edgeedge with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent TaO6 octahedra, an edgeedge with one TaO6 octahedra, and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Al–O bond distances ranging from 1.89–1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Al3+ atom.
DOI: 10.17188/1312818
title: Materials Data on Cr by Materials Project

description: Cr is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Cr atoms to form a mixture of corner, edge, and face-sharing CrCr12 cuboctahedra. There are six shorter (2.49 Å) and six longer (2.65 Å) Cr–Cr bond lengths.
DOI: 10.17188/1312819
title: Materials Data on NdIr2 by Materials Project

description: NdIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Nd–Ir bond lengths are 3.19 Å. Ir is bonded to six equivalent Nd and six equivalent Ir atoms to form a mixture of edge, face, and corner-sharing IrNd6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å.
DOI: 10.17188/1312820
title: Materials Data on K2VAgS4 by Materials Project

description: K2VAgS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.32–3.78 Å. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with two equivalent AgS4 tetrahedra. All V–S bond lengths are 2.19 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share edges with two equivalent VS4 tetrahedra. All Ag–S bond lengths are 2.53 Å. S2- is bonded in a 1-coordinate geometry to four equivalent K1+, one V5+, and one Ag1+ atom.
DOI: 10.17188/1312821
title: Materials Data on Rb2VAgS4 by Materials Project

description: Rb2VAgS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.86 Å. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with two equivalent AgS4 tetrahedra. All V–S bond lengths are 2.19 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share edges with two equivalent VS4 tetrahedra. All Ag–S bond lengths are 2.53 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one V5+, and one Ag1+ atom.
DOI: 10.17188/1312822
title: Materials Data on RuO2 by Materials Project

description: RuO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ru–O bond lengths are 2.01 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ru4+ atoms.
DOI: 10.17188/1312823
title: Materials Data on TaNi3 by Materials Project

description: Ni3Ta is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ta is bonded to twelve Ni atoms to form TaNi12 cuboctahedra that share corners with two equivalent TaNi12 cuboctahedra, corners with sixteen NiTa4Ni8 cuboctahedra, edges with six equivalent TaNi12 cuboctahedra, edges with twelve equivalent NiTa4Ni8 cuboctahedra, faces with six equivalent TaNi12 cuboctahedra, and faces with fourteen NiTa4Ni8 cuboctahedra. There are a spread of Ta–Ni bond distances ranging from 2.56–2.64 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ta and eight equivalent Ni atoms to form distorted NiTa4Ni8 cuboctahedra that share corners with eight equivalent TaNi12 cuboctahedra, corners with ten NiTa4Ni8 cuboctahedra, edges with eighteen NiTa4Ni8 cuboctahedra, faces with six equivalent TaNi12 cuboctahedra, and faces with fourteen NiTa4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.69 Å. In the second Ni site, Ni is bonded to four equivalent Ta and eight Ni atoms to form distorted NiTa4Ni8 cuboctahedra that share corners with four equivalent TaNi12 cuboctahedra, corners with fourteen NiTa4Ni8 cuboctahedra, edges with six equivalent TaNi12 cuboctahedra, edges with twelve NiTa4Ni8 cuboctahedra, faces with four equivalent TaNi12 cuboctahedra, and faces with sixteen NiTa4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.55–2.57 Å.
DOI: 10.17188/1312824
title: Materials Data on CuAgS by Materials Project

description: AgCuS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.46 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are two shorter (2.27 Å) and one longer (2.30 Å) Cu–S bond lengths. S2- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1312825
title: Materials Data on SrGaSn by Materials Project

description: SrGaSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to six equivalent Sn atoms to form SrSn6 octahedra that share corners with six equivalent GaSr3Sn3 octahedra, edges with six equivalent SrSn6 octahedra, and edges with six equivalent GaSr3Sn3 octahedra. The corner-sharing octahedral tilt angles are 21°. All Sr–Sn bond lengths are 3.45 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to six equivalent Ga and six equivalent Sn atoms. All Sr–Ga bond lengths are 3.15 Å. All Sr–Sn bond lengths are 3.67 Å. Ga is bonded to three equivalent Sr and three equivalent Sn atoms to form distorted GaSr3Sn3 octahedra that share corners with three equivalent SrSn6 octahedra, corners with six equivalent GaSr3Sn3 octahedra, edges with three equivalent SrSn6 octahedra, edges with six equivalent GaSr3Sn3 octahedra, and a faceface with one GaSr3Sn3 octahedra. The corner-sharing octahedra tilt angles range from 21–50°. All Ga–Sn bond lengths are 2.81 Å. Sn is bonded in a 6-coordinate geometry to six Sr and three equivalent Ga atoms.
DOI: 10.17188/1312826
title: Materials Data on ErPPd by Materials Project

description: ErPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Er–Pd bond distances ranging from 3.00–3.27 Å. There are a spread of Er–P bond distances ranging from 2.82–2.90 Å. Pd is bonded to six equivalent Er, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdEr6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.00 Å. There are a spread of Pd–P bond distances ranging from 2.54–2.78 Å. P is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pd atoms.