cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1685560
title: Materials Data on CaTiO2 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: 10.17188/1685561
title: Materials Data on CaLaO3 by Materials Project

description: CaLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form distorted CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Ca–O bond lengths are 3.19 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.25 Å. O is bonded in a linear geometry to four equivalent Ca and two equivalent La atoms.
DOI: 10.17188/1685562
title: Materials Data on Ca3Ti2(SiO4)3 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: 10.17188/1685563
title: Materials Data on Ho2Cr2Co15 by Materials Project

description: Ho2Cr2Co15 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.88–3.22 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Cr and eighteen Co atoms. Both Ho–Cr bond lengths are 3.03 Å. There are a spread of Ho–Co bond distances ranging from 2.93–3.13 Å. Cr is bonded in a 1-coordinate geometry to one Ho, one Cr, and twelve Co atoms. The Cr–Cr bond length is 2.03 Å. There are a spread of Cr–Co bond distances ranging from 2.59–2.68 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ho, two equivalent Cr, and eight Co atoms to form distorted CoHo2Cr2Co8 cuboctahedra that share corners with twenty-two CoHo2Cr2Co8 cuboctahedra, edges with ten CoHo3CrCo8 cuboctahedra, and faces with eighteen CoHo2Cr2Co8 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the second Co site, Co is bonded to two Ho, two equivalent Cr, and eight Co atoms to form a mixture of distorted face, edge, and corner-sharing CoHo2Cr2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.52 Å. In the third Co site, Co is bonded to three Ho, one Cr, and eight Co atoms to form a mixture of distorted face, edge, and corner-sharing CoHo3CrCo8 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.
DOI: 10.17188/1685564
title: Materials Data on Na2MnO4 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: 10.17188/1685565
title: Materials Data on K2SnC4O9 by Materials Project

description: K2SnC4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.28 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.71–2.90 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.41 Å. There are four inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the fourth C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sn2+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one C+3.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the ninth O2- site, O2- is bonded in a distorted L-shaped geometry to two K1+ atoms.
DOI: 10.17188/1685566
title: Materials Data on DyPS by Materials Project

description: DyPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. All Dy–P bond lengths are 3.10 Å. There are a spread of Dy–S bond distances ranging from 2.77–2.90 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.91 Å) and two longer (3.09 Å) Dy–P bond lengths. There are a spread of Dy–S bond distances ranging from 2.74–2.84 Å. P1- is bonded in a distorted hexagonal planar geometry to four Dy3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy5 trigonal bipyramids.
DOI: 10.17188/1685567
title: Materials Data on Sb2C4O by Materials Project

description: C4Sb2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four C4Sb2O clusters. there are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the third C2+ site, C2+ is bonded in a distorted linear geometry to one C2+ and one Sb3- atom. The C–C bond length is 1.24 Å. The C–Sb bond length is 2.09 Å. In the fourth C2+ site, C2+ is bonded in a linear geometry to one C2+ and one Sb3- atom. The C–Sb bond length is 2.16 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a water-like geometry to one C2+ and one O2- atom. The Sb–O bond length is 1.88 Å. In the second Sb3- site, Sb3- is bonded in a 3-coordinate geometry to three C2+ atoms. O2- is bonded in a single-bond geometry to one Sb3- atom.
DOI: 10.17188/1685568
title: Materials Data on Gd2GaSbO7 by Materials Project

description: Gd2GaSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to eight O2- atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent GdO8 hexagonal bipyramids, edges with two equivalent GaO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Gd–O bond distances ranging from 2.23–2.53 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.54 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent GaO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.01 Å) and four longer (2.05 Å) Ga–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent GaO6 octahedra, and edges with four equivalent GdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–50°. There are four shorter (1.99 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent Sb5+ atoms to form distorted OGd2Sb2 tetrahedra that share corners with fourteen OGd2Sb2 tetrahedra and edges with five OGd2GaSb tetrahedra. In the third O2- site, O2- is bonded to two Gd3+, one Ga3+, and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OGd2GaSb tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.
DOI: 10.17188/1685569
title: Materials Data on Li2TiV3O8 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: 10.17188/1685570
title: Materials Data on U2(GeRh)3 by Materials Project

description: U2(RhGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to four equivalent U, one Rh, and one Ge atom. All U–U bond lengths are 2.75 Å. The U–Rh bond length is 2.43 Å. The U–Ge bond length is 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to one U and one Ge atom. The Rh–Ge bond length is 2.56 Å. In the second Rh site, Rh is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Rh–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one U, one Rh, and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeUGe4Rh octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded to two equivalent Rh and four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing GeGe4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.75 Å.
DOI: 10.17188/1685571
title: Materials Data on Er(AlFe2)4 by Materials Project

description: Er(Fe2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.15 Å) and eight longer (3.25 Å) Er–Fe bond lengths. All Er–Al bond lengths are 2.92 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Er, six Fe, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing FeEr2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.76 Å. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one Er, eight Fe, and one Al atom. The Al–Al bond length is 2.64 Å.
DOI: 10.17188/1685572
title: Materials Data on K2NaNb(OF2)2 by Materials Project

description: K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- and eight F1- atoms to form KO4F8 cuboctahedra that share corners with twelve equivalent KO4F8 cuboctahedra, faces with six equivalent KO4F8 cuboctahedra, faces with four equivalent NaO2F4 octahedra, and faces with four equivalent NbO2F4 octahedra. All K–O bond lengths are 3.06 Å. All K–F bond lengths are 3.05 Å. Na1+ is bonded to two equivalent O2- and four F1- atoms to form NaO2F4 octahedra that share corners with six equivalent NbO2F4 octahedra and faces with eight equivalent KO4F8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Both Na–O bond lengths are 2.41 Å. There are two shorter (2.27 Å) and two longer (2.29 Å) Na–F bond lengths. Nb5+ is bonded to two equivalent O2- and four F1- atoms to form NbO2F4 octahedra that share corners with six equivalent NaO2F4 octahedra and faces with eight equivalent KO4F8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Both Nb–O bond lengths are 1.90 Å. All Nb–F bond lengths are 2.04 Å. O2- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Nb5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Nb5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Nb5+ atom.
DOI: 10.17188/1685573
title: Materials Data on FeOF 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: 10.17188/1685574
title: Materials Data on SrEu3 by Materials Project

description: SrEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.90 Å) and six longer (4.51 Å) Sr–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.90 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Sr and eight equivalent Eu atoms.
DOI: 10.17188/1685575
title: Materials Data on K2Cr4Co(HO4)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: 10.17188/1685576
title: Materials Data on Cs2Zr2Mn(MoO4)6 by Materials Project

description: Cs2MnZr2(MoO4)6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.31–3.34 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six MoO4 tetrahedra. There are four shorter (2.10 Å) and two longer (2.11 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six MoO4 tetrahedra. There are two shorter (2.10 Å) and four longer (2.11 Å) Zr–O bond lengths. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with two ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 14–40°. There are a spread of Mo–O bond distances ranging from 1.74–1.84 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with two ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 15–40°. There are a spread of Mo–O bond distances ranging from 1.75–1.85 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with two ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 14–40°. There are a spread of Mo–O bond distances ranging from 1.74–1.85 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MoO4 tetrahedra. There are two shorter (2.15 Å) and four longer (2.17 Å) Mn–O bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Mo6+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Zr4+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Zr4+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Mn2+ atom. In the twelfth O2- site, O2- is bonded in a linear geometry to one Zr4+ and one Mo6+ atom.
DOI: 10.17188/1685577
title: Materials Data on Dy2FeSi4 by Materials Project

description: Dy2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.04–3.18 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.05–3.15 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 trigonal pyramids. There are two shorter (2.19 Å) and two longer (2.21 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.45 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.42 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Dy3+ and three Si2- atoms. Both Si–Si bond lengths are 2.39 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to six Dy3+ and three Si2- atoms.
DOI: 10.17188/1685578
title: Materials Data on SmSiPt3 by Materials Project

description: SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.
DOI: 10.17188/1685579
title: Materials Data on Ba2TlPd by Materials Project

description: Ba2PdTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2PdTl ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to one Pd and one Tl atom. The Ba–Pd bond length is 2.83 Å. The Ba–Tl bond length is 3.65 Å. Pd is bonded in a linear geometry to two equivalent Ba atoms. Tl is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1685581
title: Materials Data on Ba2AgHg by Materials Project

description: Ba2AgHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2AgHg ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Ag and one Hg atom. The Ba–Ag bond length is 3.32 Å. The Ba–Hg bond length is 3.73 Å. Ag is bonded in a linear geometry to two equivalent Ba atoms. Hg is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1685582
title: Materials Data on LaAlZn by Materials Project

description: ZnAlLa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Al atoms. There are a spread of La–Zn bond distances ranging from 3.15–3.48 Å. There are a spread of La–Al bond distances ranging from 3.21–3.48 Å. Zn is bonded in a 10-coordinate geometry to six equivalent La, one Zn, and three equivalent Al atoms. The Zn–Zn bond length is 2.71 Å. There are two shorter (2.71 Å) and one longer (2.97 Å) Zn–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent La, three equivalent Zn, and one Al atom. The Al–Al bond length is 2.65 Å.