cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1742129
title: Materials Data on Nd2MnGaO6 by Materials Project

description: Nd2MnGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.74 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Mn–O bond distances ranging from 1.97–2.22 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Ga–O bond distances ranging from 1.92–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Mn3+, and one Ga3+ atom. In the third O2- site, O2- is bonded to two equivalent Nd3+, one Mn3+, and one Ga3+ atom to form distorted corner-sharing ONd2MnGa tetrahedra.
DOI: 10.17188/1742130
title: Materials Data on Zn10Sn(B4Rh9)2 by Materials Project

description: Zn10Sn(Rh9B4)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four Zn and four B atoms. There are two shorter (2.67 Å) and two longer (2.89 Å) Rh–Zn bond lengths. There are two shorter (2.21 Å) and two longer (2.23 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Zn and four equivalent B atoms. All Rh–Zn bond lengths are 2.83 Å. All Rh–B bond lengths are 2.22 Å. In the third Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.82 Å. Both Rh–B bond lengths are 2.13 Å. In the fourth Rh site, Rh is bonded in a 8-coordinate geometry to six Zn and two equivalent B atoms. There are two shorter (2.60 Å) and four longer (2.74 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.12 Å. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Zn, two equivalent B, and two equivalent Sn atoms. There are two shorter (2.82 Å) and two longer (2.95 Å) Rh–Zn bond lengths. Both Rh–B bond lengths are 2.16 Å. Both Rh–Sn bond lengths are 2.68 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to eight Rh, one Zn, and two equivalent B atoms. The Zn–Zn bond length is 2.55 Å. Both Zn–B bond lengths are 2.61 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Rh atoms. In the third Zn site, Zn is bonded in a 10-coordinate geometry to eight Rh and two equivalent B atoms. Both Zn–B bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded in a body-centered cubic geometry to eight Rh atoms. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to six Rh and one Zn atom. In the second B site, B is bonded in a 6-coordinate geometry to six Rh and one Zn atom. Sn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1742131
title: Materials Data on SrC2 by Materials Project

description: SrC2 is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent C1- atoms to form edge-sharing SrC8 hexagonal bipyramids. There are six shorter (2.54 Å) and two longer (2.90 Å) Sr–C bond lengths. C1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing CSr4 trigonal pyramids.
DOI: 10.17188/1742132
title: Materials Data on Ba3La2Ti2Nb2O15 by Materials Project

description: Ba3La2Ti2Nb2O15 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.18 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with two equivalent NbO6 octahedra, and faces with six equivalent TiO6 octahedra. There are six shorter (2.81 Å) and six longer (2.86 Å) Ba–O bond lengths. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share corners with nine equivalent LaO12 cuboctahedra, faces with three equivalent BaO12 cuboctahedra, faces with three equivalent NbO6 octahedra, and faces with four equivalent TiO6 octahedra. There are a spread of La–O bond distances ranging from 2.52–3.00 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three equivalent TiO6 octahedra, corners with three equivalent NbO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There is three shorter (1.97 Å) and three longer (2.01 Å) Ti–O bond length. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent TiO6 octahedra, a faceface with one BaO12 cuboctahedra, and faces with three equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (1.91 Å) and three longer (2.15 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one La3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, two equivalent La3+, one Ti4+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, and two equivalent Ti4+ atoms.
DOI: 10.17188/1742133
title: Materials Data on LiV3P3O11 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: 10.17188/1742134
title: Materials Data on Hf3AlAu2 by Materials Project

description: Hf3Au2Al crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are two shorter (2.84 Å) and two longer (3.08 Å) Hf–Au bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Al atoms. All Au–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Au atoms to form distorted edge-sharing AlAu6 cuboctahedra.
DOI: 10.17188/1742135
title: Materials Data on SnTePbSe by Materials Project

description: PbSnSeTe is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PbTe3Se3 octahedra that share corners with six equivalent SnTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.12 Å. Sn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form SnTe3Se3 octahedra that share corners with six equivalent PbTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Sn–Te bond lengths are 3.19 Å. All Sn–Se bond lengths are 3.08 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form TeSn3Pb3 octahedra that share corners with six equivalent SeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form SeSn3Pb3 octahedra that share corners with six equivalent TeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°.
DOI: 10.17188/1742136
title: Materials Data on CeNdS2 by Materials Project

description: NdCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded to six equivalent S atoms to form NdS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent NdS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nd–S bond lengths are 2.89 Å. Ce is bonded to six equivalent S atoms to form CeS6 octahedra that share corners with six equivalent NdS6 octahedra, edges with six equivalent NdS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ce–S bond lengths are 2.87 Å. S is bonded to three equivalent Nd and three equivalent Ce atoms to form a mixture of edge and corner-sharing SCe3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1742137
title: Materials Data on Cs2NaVF6 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: 10.17188/1742138
title: Materials Data on Fe3(PO8)2 by Materials Project

description: Fe3(PO8)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Fe3(PO8)2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent PO4 tetrahedra. There are two shorter (1.88 Å) and four longer (2.17 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form distorted FeO6 octahedra that share corners with four equivalent PO4 tetrahedra and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.06 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with five FeO6 octahedra. The corner-sharing octahedra tilt angles range from 28–55°. There is three shorter (1.54 Å) and one longer (1.58 Å) P–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Fe and one O atom. The O–O bond length is 1.28 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to one Fe and one O atom. The O–O bond length is 1.33 Å.
DOI: 10.17188/1742139
title: Materials Data on La3BeSbS7 by Materials Project

description: BeLa3SbS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.14 Å) and one longer (2.17 Å) Be–S bond lengths. La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.17 Å. Sb3+ is bonded to six equivalent S2- atoms to form face-sharing SbS6 octahedra. There are three shorter (2.60 Å) and three longer (2.93 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Be2+ and three equivalent La3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Be2+ and three equivalent La3+ atoms.
DOI: 10.17188/1742142
title: Materials Data on MgCo2(PO4)2 by Materials Project

description: MgCo2(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent PO4 tetrahedra, corners with two equivalent CoO5 trigonal bipyramids, and edges with two equivalent CoO5 trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 2.05–2.20 Å. Co2+ is bonded to five O2- atoms to form distorted CoO5 trigonal bipyramids that share a cornercorner with one MgO6 octahedra, corners with three equivalent PO4 tetrahedra, an edgeedge with one MgO6 octahedra, an edgeedge with one PO4 tetrahedra, and an edgeedge with one CoO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 59°. There are a spread of Co–O bond distances ranging from 2.00–2.23 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent CoO5 trigonal bipyramids, and an edgeedge with one CoO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 34–53°. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+, one Co2+, and one P5+ atom.
DOI: 10.17188/1742143
title: Materials Data on LaCeMg2 by Materials Project

description: Mg2CeLa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent La atoms. All Mg–Ce bond lengths are 3.36 Å. All Mg–La bond lengths are 3.36 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. La is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1742144
title: Materials Data on Tm4BClO7 by Materials Project

description: Tm4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.32 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Tm–O bond distances ranging from 2.23–2.34 Å. The Tm–Cl bond length is 2.93 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.23–2.74 Å. In the fourth Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Tm–O bond distances ranging from 2.18–2.32 Å. The Tm–Cl bond length is 2.84 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing OTm4 tetrahedra. In the second O2- site, O2- is bonded to four Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Tm3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing OTm4 tetrahedra. In the seventh O2- site, O2- is bonded to four Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra. Cl1- is bonded in a 2-coordinate geometry to two Tm3+ atoms.
DOI: 10.17188/1742145
title: Materials Data on CoSb(PO4)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: 10.17188/1742146
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the tetragonal I-4c2 space group. The structure is three-dimensional. Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.71 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1742147
title: Materials Data on NaSb(OF2)2 by Materials Project

description: NaSb(OF2)2 is Upper Bainite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na is bonded to two O and four F atoms to form NaO2F4 octahedra that share corners with six equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are one shorter (2.59 Å) and one longer (2.66 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.37 Å. Sb is bonded to two O and four F atoms to form SbO2F4 octahedra that share corners with six equivalent NaO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There is one shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.93–1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the fourth F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom.
DOI: 10.17188/1742148
title: Materials Data on Ca3(VN2)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: 10.17188/1742150
title: Materials Data on ZrTi by Materials Project

description: TiZr is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded to four equivalent Zr and eight equivalent Ti atoms to form distorted ZrZr4Ti8 cuboctahedra that share corners with twelve equivalent ZrZr4Ti8 cuboctahedra, edges with eight equivalent ZrZr4Ti8 cuboctahedra, edges with sixteen equivalent TiZr8Ti4 cuboctahedra, faces with eight equivalent TiZr8Ti4 cuboctahedra, and faces with ten equivalent ZrZr4Ti8 cuboctahedra. All Zr–Zr bond lengths are 3.11 Å. All Zr–Ti bond lengths are 3.04 Å. Ti is bonded to eight equivalent Zr and four equivalent Ti atoms to form distorted TiZr8Ti4 cuboctahedra that share corners with twelve equivalent TiZr8Ti4 cuboctahedra, edges with eight equivalent TiZr8Ti4 cuboctahedra, edges with sixteen equivalent ZrZr4Ti8 cuboctahedra, faces with eight equivalent ZrZr4Ti8 cuboctahedra, and faces with ten equivalent TiZr8Ti4 cuboctahedra. All Ti–Ti bond lengths are 3.11 Å.
DOI: 10.17188/1742151
title: Materials Data on GaCuPd2 by Materials Project

description: Pd2CuGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2CuGa ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Cu and one Ga atom. The Pd–Cu bond length is 2.46 Å. The Pd–Ga bond length is 2.30 Å. Cu is bonded in a linear geometry to two equivalent Pd atoms. Ga is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1742152
title: Materials Data on Mg6CdIn by Materials Project

description: Mg6CdIn is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cd2In2 cuboctahedra, edges with two equivalent CdMg12 cuboctahedra, edges with four equivalent InMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.18 Å. Both Mg–Cd bond lengths are 3.16 Å. Both Mg–In bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen MgMg8Cd2In2 cuboctahedra, edges with two equivalent InMg12 cuboctahedra, edges with four equivalent CdMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.18 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.17 Å. Both Mg–In bond lengths are 3.16 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Cd, and two equivalent In atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen MgMg8Cd2In2 cuboctahedra, edges with two equivalent InMg12 cuboctahedra, edges with four equivalent CdMg12 cuboctahedra, edges with twelve MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, and faces with sixteen MgMg8Cd2In2 cuboctahedra. Both Mg–Cd bond lengths are 3.17 Å. Both Mg–In bond lengths are 3.16 Å. Cd is bonded to twelve Mg atoms to form CdMg12 cuboctahedra that share corners with six equivalent CdMg12 cuboctahedra, corners with twelve equivalent MgMg8Cd2In2 cuboctahedra, edges with eighteen MgMg8Cd2In2 cuboctahedra, faces with two equivalent CdMg12 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve MgMg8Cd2In2 cuboctahedra. In is bonded to twelve Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve MgMg8Cd2In2 cuboctahedra, edges with eighteen MgMg8Cd2In2 cuboctahedra, faces with two equivalent InMg12 cuboctahedra, faces with six equivalent CdMg12 cuboctahedra, and faces with twelve MgMg8Cd2In2 cuboctahedra.