cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1685142
title: Materials Data on Li2ZnCdP2 by Materials Project

description: Li2CdZnP2 is Fluorite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with three equivalent CdP4 tetrahedra, and edges with three equivalent ZnP4 tetrahedra. There are three shorter (2.59 Å) and one longer (2.71 Å) Li–P bond lengths. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form LiP4 tetrahedra that share corners with four equivalent CdP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with three equivalent CdP4 tetrahedra, and edges with three equivalent ZnP4 tetrahedra. There are one shorter (2.49 Å) and three longer (2.55 Å) Li–P bond lengths. Cd2+ is bonded to four P3- atoms to form CdP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with six equivalent CdP4 tetrahedra, corners with six equivalent ZnP4 tetrahedra, and edges with six LiP4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.65 Å) Cd–P bond lengths. Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with six equivalent CdP4 tetrahedra, corners with six equivalent ZnP4 tetrahedra, and edges with six LiP4 tetrahedra. There are one shorter (2.47 Å) and three longer (2.55 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to four Li1+, three equivalent Cd2+, and one Zn2+ atom. In the second P3- site, P3- is bonded in a body-centered cubic geometry to four Li1+, one Cd2+, and three equivalent Zn2+ atoms.
DOI: 10.17188/1685143
title: Materials Data on KVH4O7 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: 10.17188/1685144
title: Materials Data on KWCl6 by Materials Project

description: KWCl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with four equivalent KCl12 cuboctahedra, corners with two equivalent WCl6 octahedra, edges with four equivalent KCl12 cuboctahedra, edges with two equivalent WCl6 octahedra, and faces with two equivalent WCl6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of K–Cl bond distances ranging from 3.56–3.70 Å. W5+ is bonded to six Cl1- atoms to form WCl6 octahedra that share corners with two equivalent KCl12 cuboctahedra, edges with two equivalent KCl12 cuboctahedra, and faces with two equivalent KCl12 cuboctahedra. All W–Cl bond lengths are 2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one W5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one W5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one W5+ atom.
DOI: 10.17188/1685145
title: Materials Data on Nd4(SiS4)3 by Materials Project

description: Nd4(SiS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Nd–S bond distances ranging from 2.89–3.38 Å. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Nd–S bond distances ranging from 2.86–3.05 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Si4+ atom. In the second S2- site, S2- is bonded to three Nd3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SNd3Si tetrahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Si4+ atom.
DOI: 10.17188/1685146
title: Materials Data on NaFeH8(NF3)2 by Materials Project

description: (NH4)2NaFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaFeF6 framework. In the NaFeF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.40 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+ and one Fe3+ atom.
DOI: 10.17188/1685147
title: Materials Data on LiCe(C2O5)2 by Materials Project

description: (LiCeC3O7)2(CO2)2O2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of four carbon dioxide molecules; two hydrogen peroxide molecules; and one LiCeC3O7 sheet oriented in the (0, 0, 1) direction. In the LiCeC3O7 sheet, Li1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.29 Å. Ce3+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 1.86–2.72 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ce3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ce3+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ce3+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ce3+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one Li1+ and one Ce3+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce3+ and one C4+ atom.
DOI: 10.17188/1685148
title: Materials Data on RbPO4 by Materials Project

description: RbPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.16 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom.
DOI: 10.17188/1685149
title: Materials Data on LiFe5O8 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: 10.17188/1685150
title: Materials Data on Ni2(SO4)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: 10.17188/1685151
title: Materials Data on Rb3LaN6 by Materials Project

description: Rb3LaN6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to eight equivalent N1- atoms. There are a spread of Rb–N bond distances ranging from 3.08–3.63 Å. La3+ is bonded in an octahedral geometry to six equivalent N1- atoms. All La–N bond lengths are 2.42 Å. N1- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and one La3+ atom.
DOI: 10.17188/1685152
title: Materials Data on NaGa by Materials Project

description: GaNa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to five equivalent Ga atoms. There are two shorter (3.10 Å) and three longer (3.25 Å) Na–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to five equivalent Na and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.42 Å.
DOI: 10.17188/1685153
title: Materials Data on SrAgTeF by Materials Project

description: SrFAgTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Sr–Te bond lengths are 3.50 Å. All Sr–F bond lengths are 2.57 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and four equivalent Te2- atoms. All Ag–Ag bond lengths are 3.11 Å. All Ag–Te bond lengths are 2.92 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Sr2+, four equivalent Ag1+, and four equivalent F1- atoms. All Te–F bond lengths are 3.67 Å. F1- is bonded to four equivalent Sr2+ and four equivalent Te2- atoms to form a mixture of face and edge-sharing FSr4Te4 tetrahedra.
DOI: 10.17188/1685154
title: Materials Data on Li6Ca12Mo4N16O3 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: 10.17188/1685155
title: Materials Data on BaMgIn3 by Materials Project

description: BaMgIn3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to four equivalent Mg and twelve In atoms. All Ba–Mg bond lengths are 4.01 Å. There are eight shorter (3.76 Å) and four longer (4.01 Å) Ba–In bond lengths. Mg is bonded to four equivalent Ba and eight In atoms to form distorted MgBa4In8 tetrahedra that share corners with four equivalent InBa4Mg4In4 cuboctahedra, corners with twelve equivalent MgBa4In8 tetrahedra, edges with two equivalent InBa4Mg4In4 cuboctahedra, faces with four equivalent InBa4Mg4In4 cuboctahedra, and faces with four equivalent MgBa4In8 tetrahedra. There are four shorter (2.99 Å) and four longer (3.46 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Mg, and three In atoms. There are one shorter (2.91 Å) and two longer (2.99 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Ba, four equivalent Mg, and four equivalent In atoms to form InBa4Mg4In4 cuboctahedra that share corners with twelve equivalent InBa4Mg4In4 cuboctahedra, corners with four equivalent MgBa4In8 tetrahedra, edges with two equivalent MgBa4In8 tetrahedra, faces with four equivalent InBa4Mg4In4 cuboctahedra, and faces with four equivalent MgBa4In8 tetrahedra.
DOI: 10.17188/1685156
title: Materials Data on EuCd2In by Materials Project

description: EuCd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Cd and six equivalent In atoms. All Eu–Cd bond lengths are 3.25 Å. All Eu–In bond lengths are 3.75 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent In atoms. All Cd–In bond lengths are 3.25 Å. In is bonded in a 8-coordinate geometry to six equivalent Eu and eight equivalent Cd atoms.
DOI: 10.17188/1685157
title: Materials Data on Mn2B4W by Materials Project

description: WMn2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing WB12 cuboctahedra. There are eight shorter (2.36 Å) and four longer (2.45 Å) W–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are three shorter (2.13 Å) and four longer (2.22 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent W2+, five equivalent Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent W2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.87 Å.
DOI: 10.17188/1685158
title: Materials Data on Li4Cr2Si4O13 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: 10.17188/1685159
title: Materials Data on Nd2Co2SiC by Materials Project

description: Nd2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Nd2Co2SiC sheets oriented in the (0, 0, 1) direction. Nd3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Nd–C bond lengths are 2.60 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.32 Å. The Co–C bond length is 1.77 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CNd4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Nd3+ and two equivalent Co1+ atoms to form CNd4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CNd4Co2 octahedra.
DOI: 10.17188/1685162
title: Materials Data on LiNbCrO4 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: 10.17188/1685163
title: Materials Data on CuPdAu2 by Materials Project

description: PdAu2Cu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PdAu2Cu ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to two equivalent Au atoms. Both Pd–Au bond lengths are 2.57 Å. Au is bonded in a linear geometry to one Pd and one Cu atom. The Au–Cu bond length is 2.40 Å. Cu is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1685164
title: Materials Data on Sc2CoCu by Materials Project

description: Sc2CoCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Cu atoms. All Sc–Co bond lengths are 2.76 Å. All Sc–Cu bond lengths are 2.76 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1685165
title: Materials Data on CsVTeO6 by Materials Project

description: CsVTeO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–O bond distances ranging from 3.07–3.26 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is two shorter (1.85 Å) and four longer (1.92 Å) V–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent VO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 42–71°. There is four shorter (1.93 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one V5+, and one Te6+ atom.
DOI: 10.17188/1685166
title: Materials Data on Li2Ti3VO8 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: 10.17188/1685167
title: Materials Data on CsGa9Au5 by Materials Project

description: CsAu5Ga9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six equivalent Au and eighteen Ga atoms. All Cs–Au bond lengths are 4.04 Å. There are six shorter (4.07 Å) and twelve longer (4.13 Å) Cs–Ga bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted q6 geometry to nine Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.79–2.84 Å. In the second Au site, Au is bonded in a 6-coordinate geometry to two equivalent Cs and six Ga atoms. There are two shorter (2.61 Å) and four longer (2.64 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Cs and four Au atoms. In the second Ga site, Ga is bonded to two equivalent Cs and four Au atoms to form a mixture of distorted edge, corner, and face-sharing GaCs2Au4 tetrahedra.
DOI: 10.17188/1685168
title: Materials Data on YbGa4Pd7 by Materials Project

description: YbPd7Ga4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to sixteen Pd and four Ga atoms. There are eight shorter (3.23 Å) and eight longer (3.49 Å) Yb–Pd bond lengths. All Yb–Ga bond lengths are 3.16 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Yb, four Pd, and four equivalent Ga atoms. There are two shorter (2.61 Å) and two longer (2.68 Å) Pd–Pd bond lengths. All Pd–Ga bond lengths are 2.70 Å. In the second Pd site, Pd is bonded to twelve Ga atoms to form PdGa12 cuboctahedra that share faces with eight equivalent PdYb3Ga3Pd6 cuboctahedra and faces with twelve GaYbGa4Pd7 cuboctahedra. All Pd–Ga bond lengths are 2.88 Å. In the third Pd site, Pd is bonded to three equivalent Yb, six Pd, and three equivalent Ga atoms to form distorted PdYb3Ga3Pd6 cuboctahedra that share corners with nine equivalent PdYb3Ga3Pd6 cuboctahedra, corners with twelve GaYbGa4Pd7 cuboctahedra, edges with three equivalent PdYb3Ga3Pd6 cuboctahedra, faces with seven PdGa12 cuboctahedra, and faces with nine GaYbGa4Pd7 cuboctahedra. All Pd–Pd bond lengths are 2.71 Å. All Pd–Ga bond lengths are 3.17 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to one Yb, seven Pd, and four equivalent Ga atoms to form distorted GaYbGa4Pd7 cuboctahedra that share corners with six GaYbGa4Pd7 cuboctahedra, corners with eight equivalent PdYb3Ga3Pd6 cuboctahedra, edges with four GaYbGa4Pd7 cuboctahedra, faces with seven PdGa12 cuboctahedra, and faces with eight GaYbGa4Pd7 cuboctahedra. All Ga–Ga bond lengths are 2.88 Å. In the second Ga site, Ga is bonded to one Yb, seven Pd, and four Ga atoms to form distorted GaYbGa4Pd7 cuboctahedra that share corners with six equivalent GaYbGa4Pd7 cuboctahedra, corners with eight equivalent PdYb3Ga3Pd6 cuboctahedra, edges with four equivalent GaYbGa4Pd7 cuboctahedra, faces with seven PdGa12 cuboctahedra, and faces with eight GaYbGa4Pd7 cuboctahedra. There are four shorter (2.70 Å) and two longer (3.17 Å) Ga–Pd bond lengths. All Ga–Ga bond lengths are 2.88 Å. In the third Ga site, Ga is bonded to one Yb, seven Pd, and four Ga atoms to form distorted GaYbGa4Pd7 cuboctahedra that share corners with six GaYbGa4Pd7 cuboctahedra, corners with eight equivalent PdYb3Ga3Pd6 cuboctahedra, edges with four GaYbGa4Pd7 cuboctahedra, faces with seven PdGa12 cuboctahedra, and faces with eight GaYbGa4Pd7 cuboctahedra. There are four shorter (2.70 Å) and two longer (3.17 Å) Ga–Pd bond lengths. All Ga–Ga bond lengths are 2.88 Å.