cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196508
title: Materials Data on Mn2VGa by Materials Project

description: Mn2VGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All V–Mn bond lengths are 2.52 Å. Mn is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ga atoms. All Mn–Ga bond lengths are 2.52 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1196509
title: Materials Data on BaPPt by Materials Project

description: BaPtP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent P atoms. There are one shorter (3.34 Å) and three longer (3.53 Å) Ba–Pt bond lengths. There are one shorter (3.17 Å) and three longer (3.31 Å) Ba–P bond lengths. Pt is bonded in a 4-coordinate geometry to four equivalent Ba and three equivalent P atoms. All Pt–P bond lengths are 2.39 Å. P is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Pt atoms.
DOI: 10.17188/1196510
title: Materials Data on CoGe by Materials Project

description: CoGe is Modderite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to four Co and six Ge atoms. There are two shorter (2.46 Å) and two longer (2.58 Å) Co–Co bond lengths. There are four shorter (2.40 Å) and two longer (2.46 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 6-coordinate geometry to four Co and six Ge atoms. Both Co–Co bond lengths are 2.59 Å. There are four shorter (2.38 Å) and two longer (2.44 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 6-coordinate geometry to two Co and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Co atoms.
DOI: 10.17188/1196511
title: Materials Data on ThSi by Materials Project

description: ThSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.05–3.21 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Th4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.61 Å.
DOI: 10.17188/1196512
title: Materials Data on FePb2(CN)6 by Materials Project

description: Pb2Fe(CN)6 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one iron molecule and one Pb(CN)3 sheet oriented in the (0, 0, 1) direction. In the Pb(CN)3 sheet, Pb2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing PbN6 octahedra. There are three shorter (2.47 Å) and three longer (2.88 Å) Pb–N bond lengths. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C+1.83+ atom.
DOI: 10.17188/1196513
title: Materials Data on Ho4Sb3 by Materials Project

description: Ho4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to six equivalent Sb atoms. There are three shorter (3.07 Å) and three longer (3.28 Å) Ho–Sb bond lengths. Sb is bonded to eight equivalent Ho atoms to form a mixture of distorted edge, face, and corner-sharing SbHo8 hexagonal bipyramids.
DOI: 10.17188/1196514
title: Materials Data on Gd(SiRh)2 by Materials Project

description: GdRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Gd–Rh bond lengths are 3.24 Å. All Gd–Si bond lengths are 3.14 Å. Rh is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhGd4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.47 Å.
DOI: 10.17188/1196515
title: Materials Data on LiYbPb by Materials Project

description: LiYbPb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to three equivalent Yb and four Pb atoms. All Li–Yb bond lengths are 3.23 Å. There are three shorter (2.90 Å) and one longer (3.32 Å) Li–Pb bond lengths. In the second Li site, Li is bonded in a trigonal planar geometry to six equivalent Yb and three equivalent Pb atoms. All Li–Yb bond lengths are 3.39 Å. All Li–Pb bond lengths are 2.86 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six Li and six Pb atoms. There are three shorter (3.39 Å) and three longer (3.46 Å) Yb–Pb bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Yb–Pb bond lengths are 3.32 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 3-coordinate geometry to three equivalent Li and six Yb atoms. In the second Pb site, Pb is bonded in a 3-coordinate geometry to five Li and six equivalent Yb atoms.
DOI: 10.17188/1196516
title: Materials Data on TlHg(NO2)3 by Materials Project

description: HgTl(NO2)3 is Cyanogen Chloride-derived structured and crystallizes in the cubic Pm-3 space group. The structure is zero-dimensional and consists of three hydroxylamine, n-hydroxy- molecules; one mercury molecule; and one thallium molecule.
DOI: 10.17188/1196517
title: Materials Data on Cr3RhN by Materials Project

description: Cr3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Cr–Rh bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Rh is bonded to twelve equivalent Cr atoms to form RhCr12 cuboctahedra that share corners with twelve equivalent RhCr12 cuboctahedra, faces with six equivalent RhCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent RhCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196518
title: Materials Data on CePt by Materials Project

description: CePt crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.97–3.21 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Ce atoms.
DOI: 10.17188/1196519
title: Materials Data on Ba2Pb by Materials Project

description: Ba2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to five equivalent Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.68–4.26 Å. In the second Ba site, Ba is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing BaPb4 tetrahedra. There are a spread of Ba–Pb bond distances ranging from 3.54–3.64 Å. Pb is bonded in a 9-coordinate geometry to nine Ba atoms.
DOI: 10.17188/1196520
title: Materials Data on NbSiIr by Materials Project

description: NbIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Nb–Ir bond distances ranging from 2.94–2.99 Å. There are a spread of Nb–Si bond distances ranging from 2.70–2.76 Å. Ir is bonded in a 4-coordinate geometry to six equivalent Nb and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.42–2.47 Å. Si is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Ir atoms.
DOI: 10.17188/1196521
title: Materials Data on YMnSi by Materials Project

description: YMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Y–Mn bond lengths are 3.08 Å. There are four shorter (2.92 Å) and one longer (3.38 Å) Y–Si bond lengths. Mn is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face and edge-sharing MnY4Si4 tetrahedra. All Mn–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Mn atoms.
DOI: 10.17188/1196523
title: Materials Data on UGa5Ni by Materials Project

description: UNiGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.97 Å) and four longer (3.01 Å) U–Ga bond lengths. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.01 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are one shorter (2.66 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are two shorter (2.97 Å) and four longer (3.01 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.
DOI: 10.17188/1196524
title: Materials Data on GdCo3B2 by Materials Project

description: GdCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 2.90 Å. Co1+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.09 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and six equivalent Co1+ atoms.
DOI: 10.17188/1196525
title: Materials Data on EuMg by Materials Project

description: MgEu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Mg–Eu bond lengths are 3.56 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1196526
title: Materials Data on FeGe by Materials Project

description: FeGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Fe is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.38–2.62 Å. Ge is bonded in a 7-coordinate geometry to seven equivalent Fe atoms.
DOI: 10.17188/1196527
title: Materials Data on Mn7C3 by Materials Project

description: Mn7C3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to three C atoms. There are one shorter (1.98 Å) and two longer (2.02 Å) Mn–C bond lengths. In the second Mn site, Mn is bonded in a distorted water-like geometry to two equivalent C atoms. Both Mn–C bond lengths are 2.01 Å. In the third Mn site, Mn is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.96 Å) and one longer (1.97 Å) Mn–C bond length. In the fourth Mn site, Mn is bonded in a 3-coordinate geometry to three C atoms. There is one shorter (1.93 Å) and two longer (1.98 Å) Mn–C bond length. In the fifth Mn site, Mn is bonded in a 2-coordinate geometry to four C atoms. There are a spread of Mn–C bond distances ranging from 2.00–2.43 Å. There are two inequivalent C sites. In the first C site, C is bonded in a 6-coordinate geometry to seven Mn atoms. In the second C site, C is bonded in a 6-coordinate geometry to eight Mn atoms.
DOI: 10.17188/1196528
title: Materials Data on EuIn2Pd by Materials Project

description: EuPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (3.00 Å) and two longer (3.25 Å) Eu–Pd bond lengths. There are a spread of Eu–In bond distances ranging from 3.43–3.57 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Eu and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.87 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Eu and three equivalent Pd atoms.
DOI: 10.17188/1196529
title: Materials Data on Na2FeCu(CN)6 by Materials Project

description: (Na)2FeCu(CN)6 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules, eight sodium molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.08 Å. C2+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to one Cu1+ and one C2+ atom.
DOI: 10.17188/1196530
title: Materials Data on HfIr3 by Materials Project

description: Ir3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Ir atoms to form a mixture of face and corner-sharing HfIr12 cuboctahedra. All Hf–Ir bond lengths are 2.81 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Hf atoms.
DOI: 10.17188/1196531
title: Materials Data on FeSn by Materials Project

description: FeSn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to four equivalent Fe and six Sn atoms. All Fe–Fe bond lengths are 2.65 Å. There are two shorter (2.65 Å) and four longer (2.71 Å) Fe–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a hexagonal planar geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Fe atoms.
DOI: 10.17188/1196532
title: Materials Data on PuSb by Materials Project

description: PuSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Pu–Sb bond lengths are 3.26 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.
DOI: 10.17188/1196533
title: Materials Data on OsN2 by Materials Project

description: OsN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six equivalent NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two shorter (2.07 Å) and four longer (2.11 Å) Os–N bond lengths. N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen equivalent NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.41 Å.
DOI: 10.7302/8s91-gc97
title: Computed tomography voxel dataset for UMMZ:herps:130609-PHAEOGNATHUS HUBRICHTI-WholeBody
DOI: 10.17188/1196534
title: Materials Data on BPPbO5 by Materials Project

description: PbBPO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent PO4 tetrahedra. There is two shorter (1.45 Å) and two longer (1.52 Å) B–O bond length. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–2.87 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.60 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent B3+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+, two equivalent Pb2+, and one P5+ atom.
DOI: 10.17188/1196535
title: Materials Data on Yb2InPd2 by Materials Project

description: Yb2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Yb–Pd bond lengths. All Yb–In bond lengths are 3.42 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Yb, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.84 Å. Both Pd–In bond lengths are 2.91 Å. In is bonded to eight equivalent Yb and four equivalent Pd atoms to form a mixture of corner and face-sharing InYb8Pd4 cuboctahedra.
DOI: 10.17188/1196536
title: Materials Data on SiAs2 by Materials Project

description: SiAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Si4+ is bonded to six equivalent As2- atoms to form SiAs6 octahedra that share corners with twelve equivalent SiAs6 octahedra and corners with six equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Si–As bond lengths are 2.55 Å. As2- is bonded to three equivalent Si4+ and one As2- atom to form distorted AsSi3As tetrahedra that share corners with three equivalent SiAs6 octahedra and corners with fifteen equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.45 Å.
DOI: 10.17188/1196537
title: Materials Data on U2AlCo2 by Materials Project

description: U2Co2Al crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Co and four equivalent Al atoms. There are two shorter (2.56 Å) and four longer (2.78 Å) U–Co bond lengths. All U–Al bond lengths are 3.13 Å. Co is bonded in a 2-coordinate geometry to six equivalent U and two equivalent Al atoms. Both Co–Al bond lengths are 2.75 Å. Al is bonded to eight equivalent U and four equivalent Co atoms to form a mixture of face and corner-sharing AlU8Co4 cuboctahedra.
DOI: 10.17188/1196538
title: Materials Data on Pr3Te4 by Materials Project

description: Pr3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded to eight equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing PrTe8 hexagonal bipyramids. There are four shorter (3.24 Å) and four longer (3.41 Å) Pr–Te bond lengths. Te is bonded to six equivalent Pr atoms to form a mixture of distorted face, edge, and corner-sharing TePr6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
DOI: 10.17188/1196539
title: Materials Data on PrMnGe by Materials Project

description: PrMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Pr–Mn bond lengths are 3.19 Å. There are four shorter (3.15 Å) and one longer (3.32 Å) Pr–Ge bond lengths. Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form a mixture of distorted face and edge-sharing MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.61 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Mn atoms.
DOI: 10.17188/1196540
title: Materials Data on ErNiSb by Materials Project

description: ErNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Er–Ni bond lengths are 2.73 Å. All Er–Sb bond lengths are 3.16 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.73 Å. Sb is bonded in a distorted q6 geometry to six equivalent Er and four equivalent Ni atoms.
DOI: 10.17188/1196541
title: Materials Data on FeTe by Materials Project

description: FeTe is Vulcanite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one FeTe sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded in a 4-coordinate geometry to four equivalent Te2- atoms. All Fe–Te bond lengths are 2.58 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms.
DOI: 10.17188/1196542
title: Materials Data on PbS by Materials Project

description: PbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–S bond lengths are 3.00 Å. S2- is bonded to six equivalent Pb2+ atoms to form a mixture of corner and edge-sharing SPb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196543
title: Materials Data on Gd(SiPt)2 by Materials Project

description: GdPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Gd–Pt bond lengths are 3.25 Å. All Gd–Si bond lengths are 3.20 Å. Pt is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing PtGd4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1196589
title: Materials Data on CeIn2Ir by Materials Project

description: CeIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.09 Å) Ce–Ir bond lengths. There are a spread of Ce–In bond distances ranging from 3.34–3.48 Å. Ir is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ir–In bond lengths are 2.84 Å. In is bonded in a 3-coordinate geometry to five equivalent Ce and three equivalent Ir atoms.