cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205478
title: Materials Data on Ca5Ag3 by Materials Project

description: Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.
DOI: 10.17188/1205479
title: Materials Data on CeCd2Ag by Materials Project

description: CeAgCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Cd atoms. All Ce–Ag bond lengths are 3.62 Å. All Ce–Cd bond lengths are 3.14 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Cd atoms. All Ag–Cd bond lengths are 3.14 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms.
DOI: 10.17188/1205480
title: Materials Data on CeMg2Ag by Materials Project

description: Mg2CeAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms. All Mg–Ce bond lengths are 3.11 Å. All Mg–Ag bond lengths are 3.11 Å. Ce is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ag atoms. All Ce–Ag bond lengths are 3.59 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Ce atoms.
DOI: 10.17188/1205481
title: Materials Data on HoNiSn by Materials Project

description: HoNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Ho–Ni bond distances ranging from 2.94–3.25 Å. There are a spread of Ho–Sn bond distances ranging from 3.08–3.20 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.59–2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ni atoms.
DOI: 10.17188/1205482
title: Materials Data on DyAl3 by Materials Project

description: Al3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with eight equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.11 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a square co-planar geometry to four equivalent Dy and eight equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to four equivalent Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with eight equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with ten equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 2.96 Å.
DOI: 10.17188/1205483
title: Materials Data on Ho(Al2Fe)4 by Materials Project

description: HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.
DOI: 10.17188/1205484
title: Materials Data on Mg3TeO6 by Materials Project

description: Mg3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with two TeO6 octahedra, corners with four equivalent MgO6 pentagonal pyramids, edges with two TeO6 octahedra, and edges with four equivalent MgO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Mg–O bond distances ranging from 2.05–2.30 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the second O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te trigonal pyramids.
DOI: 10.17188/1205485
title: Materials Data on DyAl4Ni by Materials Project

description: DyNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Dy–Ni bond lengths are 3.15 Å. There are a spread of Dy–Al bond distances ranging from 2.99–3.37 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Dy and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Dy and six Al atoms. There are four shorter (2.87 Å) and two longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Dy, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy, three equivalent Ni, and one Al atom.
DOI: 10.17188/1205486
title: Materials Data on Er3Al2 by Materials Project

description: Al2Er3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Er–Al bond lengths are 3.28 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Al atoms. All Er–Al bond lengths are 3.08 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.04 Å) and four longer (3.19 Å) Er–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Er and two equivalent Al atoms. There are one shorter (2.75 Å) and one longer (2.97 Å) Al–Al bond lengths.
DOI: 10.17188/1205487
title: Materials Data on ErAl2Ni by Materials Project

description: ErNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.79 Å) and two longer (3.02 Å) Er–Ni bond lengths. There are a spread of Er–Al bond distances ranging from 3.05–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.51 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Er and three equivalent Ni atoms.
DOI: 10.17188/1205488
title: Materials Data on ErAl4Ni by Materials Project

description: ErNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Er–Ni bond lengths are 3.16 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.33 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Er and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three equivalent Er, one Ni, and four equivalent Al atoms. All Al–Al bond lengths are 2.85 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.91 Å. In the third Al site, Al is bonded in a distorted q6 geometry to four equivalent Er and six Al atoms.
DOI: 10.17188/1205489
title: Materials Data on AlFe2 by Materials Project

description: Fe2Al is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe is bonded to six equivalent Fe and six equivalent Al atoms to form a mixture of edge, corner, and face-sharing FeAl6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.37 Å. All Fe–Al bond lengths are 2.78 Å. Al is bonded in a 12-coordinate geometry to twelve equivalent Fe and four equivalent Al atoms. All Al–Al bond lengths are 2.90 Å.
DOI: 10.17188/1205490
title: Materials Data on MnAlFe2 by Materials Project

description: Fe2MnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Mn–Fe bond lengths are 2.46 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Fe–Al bond lengths are 2.46 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1205491
title: Materials Data on AlFe2Ni by Materials Project

description: Fe2NiAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All Fe–Ni bond lengths are 2.48 Å. All Fe–Al bond lengths are 2.48 Å. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Al atoms. All Ni–Al bond lengths are 2.87 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ni atoms.
DOI: 10.17188/1205492
title: Materials Data on TiAlFe2 by Materials Project

description: TiFe2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Ti–Fe bond lengths are 2.52 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Fe–Al bond lengths are 2.52 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1205493
title: Materials Data on DyBe13 by Materials Project

description: Be13Dy crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.14 Å. In the second Be site, Be is bonded to ten Be and two equivalent Dy atoms to form distorted BeDy2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeDy2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.22–2.32 Å. Both Be–Dy bond lengths are 2.99 Å. Dy is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.
DOI: 10.17188/1205494
title: Materials Data on NdTiO3 by Materials Project

description: NdTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.75 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are two shorter (2.04 Å) and four longer (2.06 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to two equivalent Nd2+ and two equivalent Ti4+ atoms to form distorted corner-sharing ONd2Ti2 tetrahedra.
DOI: 10.17188/1205495
title: Materials Data on Lu2Ga3Co by Materials Project

description: Lu2CoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (2.94 Å) and six longer (3.29 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 2-coordinate geometry to four equivalent Co and eight equivalent Ga atoms. There are two shorter (2.82 Å) and two longer (3.28 Å) Lu–Co bond lengths. There are four shorter (3.02 Å) and four longer (3.05 Å) Lu–Ga bond lengths. Co is bonded in a 6-coordinate geometry to six equivalent Lu and three equivalent Ga atoms. All Co–Ga bond lengths are 2.41 Å. Ga is bonded in a 10-coordinate geometry to six Lu, one Co, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.77 Å) Ga–Ga bond lengths.
DOI: 10.17188/1205496
title: Materials Data on Sc3Co2Ge3 by Materials Project

description: Sc3Co2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Sc–Co bond distances ranging from 2.87–3.05 Å. There are a spread of Sc–Ge bond distances ranging from 2.84–3.09 Å. In the second Sc site, Sc is bonded in a 9-coordinate geometry to four equivalent Co and five Ge atoms. All Sc–Co bond lengths are 2.92 Å. There are a spread of Sc–Ge bond distances ranging from 2.80–2.97 Å. Co is bonded in a 10-coordinate geometry to six Sc and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.47 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sc, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Sc and two equivalent Co atoms.
DOI: 10.17188/1205497
title: Materials Data on Li13(Ga7Cu2)3 by Materials Project

description: Li13Cu6Ga21 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 1-coordinate geometry to two equivalent Li, two equivalent Cu, and eleven Ga atoms. Both Li–Li bond lengths are 2.93 Å. Both Li–Cu bond lengths are 2.96 Å. There are a spread of Li–Ga bond distances ranging from 2.76–3.07 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to four Li, three equivalent Cu, and nine Ga atoms. There are one shorter (3.01 Å) and three longer (3.16 Å) Li–Li bond lengths. All Li–Cu bond lengths are 3.11 Å. There are a spread of Li–Ga bond distances ranging from 2.84–3.01 Å. In the third Li site, Li is bonded in a 9-coordinate geometry to three Li, three equivalent Cu, and seven Ga atoms. There are two shorter (2.90 Å) and one longer (3.25 Å) Li–Cu bond lengths. There are a spread of Li–Ga bond distances ranging from 2.86–3.00 Å. Cu is bonded in a 12-coordinate geometry to six Li and six Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.42–2.74 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to six Li, two equivalent Cu, and four Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaLi6Ga4Cu2 cuboctahedra. There are three shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Li, two equivalent Cu, and five Ga atoms. The Ga–Ga bond length is 2.54 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to five Li, one Cu, and five equivalent Ga atoms. There are one shorter (2.66 Å) and four longer (2.69 Å) Ga–Ga bond lengths.
DOI: 10.17188/1205499
title: Materials Data on Er3Ru2 by Materials Project

description: Er3Ru2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of Er–Ru bond distances ranging from 2.90–3.11 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to six equivalent Er and two equivalent Ru atoms. Both Ru–Ru bond lengths are 2.36 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to nine equivalent Er atoms.
DOI: 10.17188/1205500
title: Materials Data on ThIr5 by Materials Project

description: ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.
DOI: 10.17188/1205501
title: Materials Data on Tm2Cu2O5 by Materials Project

description: Tm2Cu2O5 is Spinel-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 20–64°. There are a spread of Tm–O bond distances ranging from 2.20–2.27 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 20–64°. There are a spread of Tm–O bond distances ranging from 2.20–2.28 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tm3+ and one Cu2+ atom to form distorted OTm3Cu tetrahedra that share corners with six OTm3Cu tetrahedra, corners with six OTm2Cu2 trigonal pyramids, and an edgeedge with one OTm2Cu2 trigonal pyramid. In the second O2- site, O2- is bonded to three Tm3+ and one Cu2+ atom to form OTm3Cu tetrahedra that share corners with six OTm3Cu tetrahedra, corners with six OTm2Cu2 trigonal pyramids, and an edgeedge with one OTm2Cu2 trigonal pyramid. In the third O2- site, O2- is bonded to two equivalent Tm3+ and two Cu2+ atoms to form distorted OTm2Cu2 trigonal pyramids that share corners with six OTm3Cu tetrahedra, corners with two equivalent OTm2Cu2 trigonal pyramids, an edgeedge with one OTm3Cu tetrahedra, and an edgeedge with one OTm2Cu2 trigonal pyramid. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Tm3+ and two Cu2+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Tm3+ and two Cu2+ atoms to form OTm2Cu2 trigonal pyramids that share corners with six OTm3Cu tetrahedra, corners with two equivalent OTm2Cu2 trigonal pyramids, an edgeedge with one OTm3Cu tetrahedra, and an edgeedge with one OTm2Cu2 trigonal pyramid.
DOI: 10.17188/1205502
title: Materials Data on Pr(SiAu)2 by Materials Project

description: PrAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.29 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1205503
title: Materials Data on Pr(SiAg)2 by Materials Project

description: PrAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr4+ is bonded to eight equivalent Si4- atoms to form PrSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent PrSi8 hexagonal bipyramids. All Pr–Si bond lengths are 3.24 Å. Ag2+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent PrSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent PrSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.62 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr4+, four equivalent Ag2+, and one Si4- atom. The Si–Si bond length is 2.34 Å.