cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1208477
title: Materials Data on Y2MgCu2 by Materials Project

description: Y2Cu2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 3.05 Å. Y is bonded in a 6-coordinate geometry to six equivalent Cu atoms. There are two shorter (2.91 Å) and four longer (2.93 Å) Y–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Y, and one Cu atom. The Cu–Cu bond length is 2.64 Å.
DOI: 10.17188/1208478
title: Materials Data on Tm(CuSi)2 by Materials Project

description: TmCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tm–Si bond lengths are 3.01 Å. Cu+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CuSi4 tetrahedra. All Cu–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tm3+, four equivalent Cu+2.50+, and one Si4- atom. The Si–Si bond length is 2.33 Å.
DOI: 10.17188/1208479
title: Materials Data on Pr(SiRu)2 by Materials Project

description: PrRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.28 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1208480
title: Materials Data on Te2SO7 by Materials Project

description: Te2SO7 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Te4+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.95 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Te4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Te4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te4+ atoms.
DOI: 10.17188/1208481
title: Materials Data on Na6Sn2S7 by Materials Project

description: Na6Sn2S7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.88–3.52 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.90–3.46 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.79 Å) and two longer (2.84 Å) Na–S bond lengths. In the fourth Na1+ site, Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent SnS4 tetrahedra and edges with two equivalent SnS4 tetrahedra. There are a spread of Na–S bond distances ranging from 2.85–3.10 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share a cornercorner with one NaS6 octahedra, a cornercorner with one SnS4 tetrahedra, and an edgeedge with one NaS6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Sn–S bond distances ranging from 2.39–2.47 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Na1+ and one Sn4+ atom. In the second S2- site, S2- is bonded to five Na1+ and one Sn4+ atom to form a mixture of edge and corner-sharing SNa5Sn octahedra. The corner-sharing octahedral tilt angles are 0°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1208482
title: Materials Data on Y(CoGe)2 by Materials Project

description: YCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Y–Co bond lengths are 3.22 Å. All Y–Ge bond lengths are 3.09 Å. Co is bonded to four equivalent Y and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoY4Ge4 tetrahedra. All Co–Ge bond lengths are 2.34 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.60 Å.
DOI: 10.17188/1208483
title: Materials Data on V2NiS4 by Materials Project

description: NiV2S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six S2- atoms to form VS6 octahedra that share corners with six equivalent NiS6 octahedra, edges with six equivalent VS6 octahedra, and a faceface with one NiS6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of V–S bond distances ranging from 2.30–2.51 Å. Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with two equivalent NiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are two shorter (2.36 Å) and four longer (2.37 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Ni2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Ni2+ atoms.
DOI: 10.17188/1208484
title: Materials Data on La3Se4 by Materials Project

description: La3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La+2.67+ is bonded to eight equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing LaSe8 hexagonal bipyramids. There are four shorter (3.07 Å) and four longer (3.23 Å) La–Se bond lengths. Se2- is bonded to six equivalent La+2.67+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLa6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
DOI: 10.17188/1208485
title: Materials Data on Th(CuGe)2 by Materials Project

description: Th(CuGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Th–Cu bond lengths are 3.29 Å. All Th–Ge bond lengths are 3.22 Å. Cu is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.51 Å.
DOI: 10.17188/1208486
title: Materials Data on LiGa2Rh by Materials Project

description: LiRhGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Rh and eight equivalent Ga atoms. All Li–Rh bond lengths are 3.04 Å. All Li–Ga bond lengths are 2.64 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.64 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1208487
title: Materials Data on LaAsO4 by Materials Project

description: LaAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.99 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one As5+ atom.
DOI: 10.17188/1208489
title: Materials Data on Nd(GeRh)2 by Materials Project

description: NdRh2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Nd–Rh bond lengths are 3.37 Å. All Nd–Ge bond lengths are 3.24 Å. Rh is bonded to four equivalent Nd and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing RhNd4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.62 Å.
DOI: 10.17188/1208490
title: Materials Data on MnAlNi2 by Materials Project

description: Ni2MnAl 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 Ni atoms. All Mn–Ni bond lengths are 2.50 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1208491
title: Materials Data on Pr(CuGe)2 by Materials Project

description: PrCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All Pr–Cu bond lengths are 3.32 Å. All Pr–Ge bond lengths are 3.21 Å. Cu is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1208492
title: Materials Data on KBF4 by Materials Project

description: KBF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.13 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.41 Å) and two longer (1.43 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one B3+ atom.
DOI: 10.17188/1208493
title: Materials Data on Co2B by Materials Project

description: Co2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Co+1.50+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.13 Å. B3- is bonded in a 10-coordinate geometry to eight equivalent Co+1.50+ and two equivalent B3- atoms. Both B–B bond lengths are 2.13 Å.
DOI: 10.17188/1208495
title: Materials Data on Al2SiO5 by Materials Project

description: Al2SiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent AlO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.98 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of Al–O bond distances ranging from 1.72–1.81 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra and corners with three equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Al3+ atoms.
DOI: 10.17188/1208496
title: Materials Data on Yb(SiPt)2 by Materials Project

description: YbPt2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent Si4- atoms to form YbSi8 hexagonal bipyramids that share corners with sixteen equivalent PtSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, edges with eight equivalent PtSi4 tetrahedra, and faces with four equivalent YbSi8 hexagonal bipyramids. All Yb–Si bond lengths are 3.22 Å. Pt3+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent YbSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent YbSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. All Pt–Si bond lengths are 2.46 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Pt3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1208497
title: Materials Data on SNF by Materials Project

description: NSF crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two NSF clusters. N3+ is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. There is one shorter (1.55 Å) and one longer (1.67 Å) N–S bond length. S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent N3+ and one F1- atom. The S–F bond length is 1.67 Å. F1- is bonded in a single-bond geometry to one S2- atom.
DOI: 10.17188/1208500
title: Materials Data on ScCo3B2 by Materials Project

description: ScCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc2+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Sc–B bond lengths are 2.82 Å. Co+1.33+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.05 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Sc2+ and six equivalent Co+1.33+ atoms.
DOI: 10.17188/1208501
title: Materials Data on Dy(FeSi)2 by Materials Project

description: DyFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Dy–Si bond lengths are 3.08 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Dy3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.56 Å.
DOI: 10.17188/1208502
title: Materials Data on GeMo3 by Materials Project

description: Mo3Ge crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Mo is bonded in a 6-coordinate geometry to two equivalent Mo and four equivalent Ge atoms. Both Mo–Mo bond lengths are 2.49 Å. All Mo–Ge bond lengths are 2.78 Å. Ge is bonded to twelve equivalent Mo atoms to form a mixture of face and edge-sharing GeMo12 cuboctahedra.
DOI: 10.17188/1208503
title: Materials Data on Sr2SnO4 by Materials Project

description: Sr2SnO4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.93 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OSr4Sn square pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1208505
title: Materials Data on LuGa3 by Materials Project

description: LuGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Ga atoms to form LuGa12 cuboctahedra that share corners with twelve equivalent LuGa12 cuboctahedra, edges with twenty-four equivalent GaLu4Ga8 cuboctahedra, faces with six equivalent LuGa12 cuboctahedra, and faces with twelve equivalent GaLu4Ga8 cuboctahedra. All Lu–Ga bond lengths are 2.99 Å. Ga is bonded to four equivalent Lu and eight equivalent Ga atoms to form distorted GaLu4Ga8 cuboctahedra that share corners with twelve equivalent GaLu4Ga8 cuboctahedra, edges with eight equivalent LuGa12 cuboctahedra, edges with sixteen equivalent GaLu4Ga8 cuboctahedra, faces with four equivalent LuGa12 cuboctahedra, and faces with fourteen equivalent GaLu4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.99 Å.
DOI: 10.6084/m9.figshare.13302746
title: Transcriptome profiling of Tetracapsuloides bryosalmonae (Myxozoa)

description: <i>Tetracapsuloides</i><i> bryosalmonae</i> is a myxozoan parasite that causes proliferative kidney disease (PKD) in salmonids. PKD declines the wild salmonid population in Europe and causes high economic loss to salmonid industries. The life cycle of <i>T. </i><i>bryosalmonae </i>occurs between salmonid fish and bryozoan hosts. Infected fish release viable spores via urine and transmit to bryozoans. The parasite develops in the body cavity of bryozoans and forms parasite sacs (350 µm). Nevertheless, limited transcriptomic resources are accessible for this myxozoan parasite, which hampers investigations into molecular mechanisms. To better understand the biological foundation of <i>T. </i><i>bryosalmonae</i>, particularly the molecular mechanisms, there is a requirement to explore the transcriptome biology of <i>T. </i><i>bryosalmonae</i>. This study reveals the biological aspects of <i>T. </i><i>bryosalmonae</i> and delivers transcriptomic resources and characteristics for <i>T. </i><i>bryosalmonae</i>.
DOI: 10.17188/1208506
title: Materials Data on KCaF3 by Materials Project

description: KCaF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent CaF6 octahedra. All K–F bond lengths are 3.17 Å. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent CaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–F bond lengths are 2.24 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Ca2+ atoms.
DOI: 10.17188/1208507
title: Materials Data on La2MgNi2 by Materials Project

description: La2Ni2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent La and four equivalent Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. All Mg–La bond lengths are 3.43 Å. All Mg–Ni bond lengths are 3.03 Å. La is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.95 Å) and four longer (3.00 Å) La–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent La, and one Ni atom. The Ni–Ni bond length is 2.63 Å.
DOI: 10.17188/1208508
title: Materials Data on CdGeAs2 by Materials Project

description: CdGeAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.68 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent CdAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form corner-sharing AsCd2Ge2 tetrahedra.
DOI: 10.17188/1208509
title: Materials Data on La(SiPd)2 by Materials Project

description: LaPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.27 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.51 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.
DOI: 10.17188/1208510
title: Materials Data on AlVCo2 by Materials Project

description: Co2VAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All V–Co bond lengths are 2.49 Å. Co is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Co–Al bond lengths are 2.49 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1208511
title: Materials Data on CaNbO3 by Materials Project

description: CaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.77 Å. Nb4+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–30°. There are four shorter (2.06 Å) and two longer (2.07 Å) Nb–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 Ca2+ and two equivalent Nb4+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Nb4+ atoms to form distorted corner-sharing OCa2Nb2 tetrahedra.