cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1741614
title: Materials Data on Yb(YSe2)2 by Materials Project

description: Yb(YSe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Yb2+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.94 Å) and four longer (2.98 Å) Yb–Se bond lengths. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with six YSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.84 Å) and four longer (2.91 Å) Y–Se bond lengths. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share edges with four equivalent YbSe6 octahedra and edges with six YSe6 octahedra. There are four shorter (2.87 Å) and two longer (2.89 Å) Y–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Y3+ atoms to form a mixture of corner and edge-sharing SeYb2Y3 square pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three Y3+ atoms.
DOI: 10.17188/1741615
title: Materials Data on CrSiW by Materials Project

description: CrSiW crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of W–Si bond distances ranging from 2.75–2.82 Å. In the second W2+ site, W2+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of W–Si bond distances ranging from 2.77–2.81 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr2+ and four Si4- atoms. Both Cr–Cr bond lengths are 2.37 Å. There are a spread of Cr–Si bond distances ranging from 2.39–2.42 Å. In the second Cr2+ site, Cr2+ is bonded in a 6-coordinate geometry to four Cr2+ and two equivalent Si4- atoms. There are one shorter (2.34 Å) and one longer (2.48 Å) Cr–Cr bond lengths. There are one shorter (2.39 Å) and one longer (2.49 Å) Cr–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to six W2+ and six Cr2+ atoms to form SiCr6W6 cuboctahedra that share corners with fourteen SiCr6W6 cuboctahedra, edges with six SiCr6W6 cuboctahedra, and faces with four equivalent SiCr2Si4W6 cuboctahedra. In the second Si4- site, Si4- is bonded to six W2+, two equivalent Cr2+, and four Si4- atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with eight SiCr6W6 cuboctahedra, edges with two equivalent SiCr2Si4W6 cuboctahedra, and faces with ten SiCr6W6 cuboctahedra. There are a spread of Si–Si bond distances ranging from 2.38–2.46 Å. In the third Si4- site, Si4- is bonded to six W2+, two equivalent Cr2+, and four equivalent Si4- atoms to form distorted SiCr2Si4W6 cuboctahedra that share corners with six SiCr6W6 cuboctahedra, edges with six SiCr6W6 cuboctahedra, and faces with eight equivalent SiCr2Si4W6 cuboctahedra.
DOI: 10.17188/1741616
title: Materials Data on Tb5Rh3 by Materials Project

description: Tb5Rh3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing TbRh6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Tb–Rh bond lengths are 3.02 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.88–3.37 Å. Rh is bonded in a 9-coordinate geometry to nine Tb atoms.
DOI: 10.17188/1741617
title: Materials Data on Ca2SiSe4 by Materials Project

description: Ca2SiSe4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share corners with four equivalent CaSe6 octahedra, corners with two equivalent SiSe4 tetrahedra, edges with four CaSe6 octahedra, and edges with two equivalent SiSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–63°. There are a spread of Ca–Se bond distances ranging from 2.92–3.02 Å. In the second Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share corners with eight CaSe6 octahedra, corners with four equivalent SiSe4 tetrahedra, edges with two equivalent CaSe6 octahedra, and an edgeedge with one SiSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ca–Se bond distances ranging from 2.95–3.04 Å. Si4+ is bonded to four Se2- atoms to form SiSe4 tetrahedra that share corners with six CaSe6 octahedra and edges with three CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There are one shorter (2.28 Å) and three longer (2.31 Å) Si–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Ca2+ and one Si4+ atom to form distorted corner-sharing SeCa3Si trigonal pyramids. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Si4+ atom.
DOI: 10.17188/1741619
title: Materials Data on TcRu by Materials Project

description: TcRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3- is bonded to six equivalent Tc3- and six equivalent Ru3+ atoms to form a mixture of distorted edge, corner, and face-sharing TcTc6Ru6 cuboctahedra. All Tc–Tc bond lengths are 2.75 Å. All Tc–Ru bond lengths are 2.69 Å. Ru3+ is bonded in a 6-coordinate geometry to six equivalent Tc3- atoms.
DOI: 10.17188/1741621
title: Materials Data on Ga3S2O15 by Materials Project

description: (Ga3(SO7)2)2O2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three water molecules and three Ga3(SO7)2 sheets oriented in the (0, 0, 1) direction. In each Ga3(SO7)2 sheet, Ga is bonded to six O atoms to form GaO6 octahedra that share corners with four equivalent GaO6 octahedra and corners with two equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There is four shorter (1.96 Å) and two longer (2.03 Å) Ga–O bond length. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Ga and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ga atoms.
DOI: 10.17188/1741622
title: Materials Data on CsRb2AlI6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741623
title: Materials Data on LiMn(PO3)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741624
title: Materials Data on TiMn2VAs4 by Materials Project

description: TiVMn2As4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Ti4+ is bonded to six As3- atoms to form TiAs6 octahedra that share corners with four equivalent MnAs6 octahedra, corners with eight equivalent VAs6 octahedra, edges with two equivalent TiAs6 octahedra, edges with four equivalent MnAs6 octahedra, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. All Ti–As bond lengths are 2.59 Å. V4+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with four equivalent MnAs6 octahedra, corners with eight equivalent TiAs6 octahedra, edges with two equivalent VAs6 octahedra, edges with four equivalent MnAs6 octahedra, and faces with two equivalent MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are two shorter (2.51 Å) and four longer (2.55 Å) V–As bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six As3- atoms to form MnAs6 octahedra that share corners with four equivalent VAs6 octahedra, corners with eight equivalent MnAs6 octahedra, edges with two equivalent MnAs6 octahedra, edges with four equivalent TiAs6 octahedra, and faces with two equivalent VAs6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are four shorter (2.55 Å) and two longer (2.58 Å) Mn–As bond lengths. In the second Mn2+ site, Mn2+ is bonded to six As3- atoms to form MnAs6 octahedra that share corners with four equivalent TiAs6 octahedra, corners with eight equivalent MnAs6 octahedra, edges with two equivalent MnAs6 octahedra, edges with four equivalent VAs6 octahedra, and faces with two equivalent TiAs6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are four shorter (2.54 Å) and two longer (2.57 Å) Mn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Ti4+, one V4+, and three Mn2+ atoms to form a mixture of distorted edge and corner-sharing AsTi2Mn3V pentagonal pyramids. In the second As3- site, As3- is bonded in a 6-coordinate geometry to one Ti4+, two equivalent V4+, and three Mn2+ atoms.
DOI: 10.17188/1741625
title: Materials Data on Fe2SiO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741626
title: Materials Data on BiSbWO6 by Materials Project

description: WBiSbO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of W–O bond distances ranging from 1.88–2.07 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of W–O bond distances ranging from 1.87–2.08 Å. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–3.05 Å. Sb3+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.04–2.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Bi3+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W6+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Bi3+, and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Bi3+, and one Sb3+ atom.
DOI: 10.17188/1741627
title: Materials Data on EuTh3 by Materials Project

description: Th3Eu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Eu atoms to form ThEu4Th8 cuboctahedra that share corners with twelve equivalent ThEu4Th8 cuboctahedra, edges with eight equivalent EuTh12 cuboctahedra, edges with sixteen equivalent ThEu4Th8 cuboctahedra, faces with four equivalent EuTh12 cuboctahedra, and faces with fourteen equivalent ThEu4Th8 cuboctahedra. All Th–Th bond lengths are 3.61 Å. All Th–Eu bond lengths are 3.61 Å. Eu is bonded to twelve equivalent Th atoms to form EuTh12 cuboctahedra that share corners with twelve equivalent EuTh12 cuboctahedra, edges with twenty-four equivalent ThEu4Th8 cuboctahedra, faces with six equivalent EuTh12 cuboctahedra, and faces with twelve equivalent ThEu4Th8 cuboctahedra.
DOI: 10.17188/1741628
title: Materials Data on KAuCl3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741629
title: Materials Data on EuWO5 by Materials Project

description: EuWO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.54 Å. W is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.80–2.14 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Eu and one W atom. In the fourth O site, O is bonded in a linear geometry to one Eu and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Eu and one W atom.
DOI: 10.17188/1741630
title: Materials Data on Al2TcNi by Materials Project

description: TcNiAl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcNiAl2 ribbons oriented in the (1, 0, 0) direction. Tc is bonded in a linear geometry to two equivalent Al atoms. Both Tc–Al bond lengths are 2.44 Å. Ni is bonded in a linear geometry to two equivalent Al atoms. Both Ni–Al bond lengths are 2.33 Å. Al is bonded in a linear geometry to one Tc and one Ni atom.
DOI: 10.17188/1741631
title: Materials Data on Ta2Re2SnSe8 by Materials Project

description: TaSe2TaSnSe2(ReSe2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two ReSe2 sheets oriented in the (0, 0, 1) direction; one TaSe2 sheet oriented in the (0, 0, 1) direction; and one TaSnSe2 sheet oriented in the (0, 0, 1) direction. In each ReSe2 sheet, Re3+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 pentagonal pyramids. There are three shorter (2.52 Å) and three longer (2.58 Å) Re–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Re3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Re3+ atoms. In the TaSe2 sheet, Ta4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. There are three shorter (2.60 Å) and three longer (2.61 Å) Ta–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the TaSnSe2 sheet, Ta4+ is bonded to six Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. There are three shorter (2.60 Å) and three longer (2.61 Å) Ta–Se bond lengths. Sn2+ is bonded in a 6-coordinate geometry to three equivalent Se2- atoms. All Sn–Se bond lengths are 3.29 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ and three equivalent Sn2+ atoms.
DOI: 10.17188/1741632
title: Materials Data on GaAgSeS by Materials Project

description: AgGaSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form AgSe2S2 tetrahedra that share corners with four equivalent AgSe2S2 tetrahedra and corners with eight equivalent GaSe2S2 tetrahedra. Both Ag–Se bond lengths are 2.66 Å. Both Ag–S bond lengths are 2.60 Å. Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent GaSe2S2 tetrahedra and corners with eight equivalent AgSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.44 Å. Both Ga–S bond lengths are 2.33 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent SeGa2Ag2 tetrahedra and corners with eight equivalent SGa2Ag2 tetrahedra. S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SGa2Ag2 tetrahedra that share corners with four equivalent SGa2Ag2 tetrahedra and corners with eight equivalent SeGa2Ag2 tetrahedra.
DOI: 10.17188/1741633
title: Materials Data on CrI2 by Materials Project

description: I2Cr is trigonal omega-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two I2Cr sheets oriented in the (0, 0, 1) direction. Cr2+ is bonded to six I1- atoms to form edge-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.87–2.90 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms.
DOI: 10.17188/1741634
title: Materials Data on MgCu2SiSe4 by Materials Project

description: Cu2MgSiSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four Se2- atoms to form MgSe4 tetrahedra that share corners with four equivalent SiSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. There are a spread of Mg–Se bond distances ranging from 2.57–2.63 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SiSe4 tetrahedra. There are three shorter (2.43 Å) and one longer (2.46 Å) Cu–Se bond lengths. Si4+ is bonded to four Se2- atoms to form SiSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Si–Se bond lengths are 2.32 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Mg2+, two equivalent Cu1+, and one Si4+ atom to form corner-sharing SeMgCu2Si tetrahedra. In the second Se2- site, Se2- is bonded to one Mg2+, two equivalent Cu1+, and one Si4+ atom to form corner-sharing SeMgCu2Si tetrahedra. In the third Se2- site, Se2- is bonded to one Mg2+, two equivalent Cu1+, and one Si4+ atom to form corner-sharing SeMgCu2Si tetrahedra.
DOI: 10.17188/1741636
title: Materials Data on PmHoRh2 by Materials Project

description: HoPmRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ho–Rh bond lengths are 3.01 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Pm–Rh bond lengths are 3.01 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Pm atoms.
DOI: 10.17188/1741637
title: Materials Data on LiVBO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741638
title: Materials Data on TlZn3 by Materials Project

description: Zn3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn is bonded to eight equivalent Zn and four equivalent Tl atoms to form ZnTl4Zn8 cuboctahedra that share corners with twelve equivalent ZnTl4Zn8 cuboctahedra, edges with eight equivalent TlZn12 cuboctahedra, edges with sixteen equivalent ZnTl4Zn8 cuboctahedra, faces with four equivalent TlZn12 cuboctahedra, and faces with fourteen equivalent ZnTl4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.05 Å. All Zn–Tl bond lengths are 3.05 Å. Tl is bonded to twelve equivalent Zn atoms to form TlZn12 cuboctahedra that share corners with twelve equivalent TlZn12 cuboctahedra, edges with twenty-four equivalent ZnTl4Zn8 cuboctahedra, faces with six equivalent TlZn12 cuboctahedra, and faces with twelve equivalent ZnTl4Zn8 cuboctahedra.
DOI: 10.17188/1741639
title: Materials Data on Si2Pb5N6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741641
title: Materials Data on ZnNi(GeO3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1741642
title: Materials Data on Cs2PdCl4 by Materials Project

description: Cs2PdCl4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Cs–Cl bond lengths are 3.60 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.34 Å. Cl1- is bonded to four equivalent Cs1+ and one Pd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClCs4Pd square pyramids.