cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1651841
title: Materials Data on CdSnP14 by Materials Project

description: CdSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four P+0.29- atoms. There are three shorter (2.62 Å) and one longer (2.72 Å) Cd–P bond lengths. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.71–2.97 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.21–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are two shorter (2.23 Å) and one longer (2.24 Å) P–P bond lengths. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. Both P–P bond lengths are 2.22 Å. In the sixth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.20 Å. In the seventh P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two equivalent P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.20 Å. In the ninth P+0.29- site, P+0.29- is bonded to one Cd2+, one Sn2+, and two P+0.29- atoms to form distorted corner-sharing PCdSnP2 tetrahedra.
DOI: 10.17188/1651842
title: Materials Data on Ni(BO2)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: 10.17188/1651843
title: Materials Data on Ho2Co2I by Materials Project

description: Ho2Co2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to six equivalent Co and three equivalent I atoms. There are three shorter (2.85 Å) and three longer (2.88 Å) Ho–Co bond lengths. All Ho–I bond lengths are 3.38 Å. Co is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Co atoms. All Co–Co bond lengths are 2.27 Å. I is bonded in a 6-coordinate geometry to six equivalent Ho atoms.
DOI: 10.17188/1651844
title: Materials Data on NaCaAlSi2O7 by Materials Project

description: CaNaAlSi2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.93 Å. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.81 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.79 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, one Al3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, and two Si4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Ca2+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ca2+, and one Si4+ atom.
DOI: 10.6084/m9.figshare.13641449
title: S2_DataBase_CostOCBrazil_English

description: English Version Dataset - Data related to national health care expenditures by type of care (inpatient and outpatient) among the oral cancer patients, in the period of 2008 - 2016, extracted fom Brazilian health information systems - Inpatient Information System (SIH-SUS) and the Outpatient Information System (SIA-SUS).
DOI: 10.6084/m9.figshare.13641449.v1
title: S2_DataBase_CostOCBrazil_English

description: English Version Dataset - Data related to national health care expenditures by type of care (inpatient and outpatient) among the oral cancer patients, in the period of 2008 - 2016, extracted fom Brazilian health information systems - Inpatient Information System (SIH-SUS) and the Outpatient Information System (SIA-SUS).
DOI: 10.17188/1651845
title: Materials Data on Er2Fe3Cu by Materials Project

description: Er2Fe3Cu is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Cu atoms. There are six shorter (2.97 Å) and three longer (3.06 Å) Er–Fe bond lengths. All Er–Cu bond lengths are 2.97 Å. Fe is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form FeEr6Fe4Cu2 cuboctahedra that share corners with four equivalent CuEr6Fe6 cuboctahedra, corners with fourteen equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent FeEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe6 cuboctahedra, and faces with twelve equivalent FeEr6Fe4Cu2 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. Both Fe–Cu bond lengths are 2.58 Å. Cu is bonded to six equivalent Er and six equivalent Fe atoms to form CuEr6Fe6 cuboctahedra that share corners with six equivalent CuEr6Fe6 cuboctahedra, corners with twelve equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe6 cuboctahedra, and faces with eighteen equivalent FeEr6Fe4Cu2 cuboctahedra.
DOI: 10.17188/1651847
title: Materials Data on LiFeO3 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: 10.17188/1651848
title: Materials Data on SmTl(PSe3)2 by Materials Project

description: SmTl(PSe3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 3.06–3.19 Å. Tl1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.85 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.16–2.26 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.24 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Sm3+, two equivalent Tl1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one Sm3+, two equivalent Tl1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Sm3+, one Tl1+, and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Sm3+, one Tl1+, and one P4+ atom.
DOI: 10.17188/1651850
title: Materials Data on CaMg3O4 by Materials Project

description: CaMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.22 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent CaO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.22 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mg2+ atoms to form OCa2Mg4 octahedra that share corners with six equivalent OCa2Mg4 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.22 Å. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OCa2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OCa2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OCa2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1651851
title: Materials Data on SrReN2 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: 10.17188/1651852
title: Materials Data on Y3AgO5 by Materials Project

description: Y3AgO5 is Aluminum carbonitride-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.44 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.53 Å. In the third Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.55 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.29 Å) and three longer (2.33 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.14 Å) and three longer (2.22 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.27 Å) and three longer (2.31 Å) Ag–O bond lengths. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Y3+ and one Ag1+ atom to form OY3Ag trigonal pyramids that share corners with three equivalent OY6 octahedra and corners with twelve OY3Ag tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Ag1+ atom to form distorted OY3Ag tetrahedra that share corners with twelve OY3Ag tetrahedra and a faceface with one OY6 octahedra. In the third O2- site, O2- is bonded to three equivalent Y3+ and one Ag1+ atom to form corner-sharing OY3Ag trigonal pyramids. In the fourth O2- site, O2- is bonded to six Y3+ atoms to form a mixture of distorted face and corner-sharing OY6 octahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Y3+ atoms. In the seventh O2- site, O2- is bonded to three Y3+ and one Ag1+ atom to form distorted OY3Ag tetrahedra that share corners with two equivalent OY6 octahedra, corners with ten OY3Ag tetrahedra, and corners with two OY3Ag trigonal pyramids. The corner-sharing octahedral tilt angles are 55°. In the eighth O2- site, O2- is bonded to three Y3+ and one Ag1+ atom to form OY3Ag tetrahedra that share a cornercorner with one OY6 octahedra, corners with nine OY3Ag tetrahedra, and corners with three OY3Ag trigonal pyramids. The corner-sharing octahedral tilt angles are 43°. In the ninth O2- site, O2- is bonded to three Y3+ and one Ag1+ atom to form distorted OY3Ag tetrahedra that share corners with nine OY3Ag tetrahedra, corners with three OY3Ag trigonal pyramids, and a faceface with one OY6 octahedra.
DOI: 10.17188/1651853
title: Materials Data on Zr5CuSn3 by Materials Project

description: Zr5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Sn atoms. Both Zr–Zr bond lengths are 2.94 Å. All Zr–Sn bond lengths are 3.07 Å. In the second Zr site, Zr is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing ZrCu2Sn5 pentagonal bipyramids. Both Zr–Cu bond lengths are 2.73 Å. There are a spread of Zr–Sn bond distances ranging from 2.96–3.11 Å. Cu is bonded to six equivalent Zr atoms to form face-sharing CuZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1651854
title: Materials Data on TePb3 by Materials Project

description: (Pb)2PbTe crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Pb sheets oriented in the (0, 0, 1) direction and two PbTe sheets oriented in the (0, 0, 1) direction. In each Pb sheet, Pb is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Pb–Pb bond lengths are 3.43 Å. In each PbTe sheet, Pb is bonded in a square co-planar geometry to four equivalent Te atoms. All Pb–Te bond lengths are 3.43 Å. Te is bonded in a square co-planar geometry to four equivalent Pb atoms.
DOI: 10.17188/1651855
title: Materials Data on Mg3Zn by Materials Project

description: Mg3Zn1 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 2.97 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Zn atoms. All Mg–Zn bond lengths are 2.97 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1651856
title: Materials Data on PNO by Materials Project

description: PON1 is quartz (alpha)-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to two N3- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. Both P–N bond lengths are 1.56 Å. Both P–O bond lengths are 1.62 Å. In the second P5+ site, P5+ is bonded to two N3- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.54 Å) and one longer (1.56 Å) P–N bond length. There is one shorter (1.60 Å) and one longer (1.63 Å) P–O bond length. In the third P5+ site, P5+ is bonded to two N3- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. There is one shorter (1.60 Å) and one longer (1.62 Å) P–O bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1651857
title: Materials Data on Na2B4O17 by Materials Project

description: (NaB2O7)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four water molecules; and two NaB2O7 sheets oriented in the (1, 0, 0) direction. In each NaB2O7 sheet, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.19–2.65 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. All B–O bond lengths are 1.37 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.33 Å) and two longer (1.41 Å) B–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent B atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two B atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Na and two O atoms. There is one shorter (1.46 Å) and one longer (1.50 Å) O–O bond length. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two equivalent O atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two B atoms. In the eighth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one B atom.
DOI: 10.17188/1651858
title: Materials Data on NaMg14Ni by Materials Project

description: NaMg14Ni crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Na is bonded to twelve Mg atoms to form NaMg12 cuboctahedra that share corners with six equivalent NaMg12 cuboctahedra, corners with twelve equivalent MgMg10Ni2 cuboctahedra, edges with six MgNa2Mg10 cuboctahedra, faces with two equivalent NiMg12 cuboctahedra, and faces with twelve MgNa2Mg10 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.21 Å) Na–Mg bond lengths. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Ni atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent NaMg12 cuboctahedra, corners with fourteen MgMg10Ni2 cuboctahedra, edges with two equivalent NiMg12 cuboctahedra, edges with eight MgMg10Ni2 cuboctahedra, faces with two equivalent NiMg12 cuboctahedra, and faces with eight MgMg10Ni2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.30 Å. Both Mg–Ni bond lengths are 3.21 Å. In the second Mg site, Mg is bonded to two equivalent Na and ten Mg atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent NiMg12 cuboctahedra, corners with fourteen MgMg10Ni2 cuboctahedra, edges with two equivalent NaMg12 cuboctahedra, edges with eight MgNa2Mg10 cuboctahedra, faces with two equivalent NaMg12 cuboctahedra, and faces with eight MgMg10Ni2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.29 Å. In the third Mg site, Mg is bonded to two equivalent Na and ten Mg atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent NiMg12 cuboctahedra, corners with fourteen MgMg10Ni2 cuboctahedra, edges with two equivalent NaMg12 cuboctahedra, edges with eight MgNa2Mg10 cuboctahedra, faces with two equivalent NaMg12 cuboctahedra, and faces with eight MgMg10Ni2 cuboctahedra. There are two shorter (3.07 Å) and four longer (3.24 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to one Na, ten Mg, and one Ni atom. There are a spread of Mg–Mg bond distances ranging from 3.09–3.33 Å. The Mg–Ni bond length is 2.90 Å. In the fifth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, edges with twelve MgMg10Ni2 cuboctahedra, faces with three equivalent NaMg12 cuboctahedra, faces with three equivalent NiMg12 cuboctahedra, and faces with eight MgMg10Ni2 cuboctahedra. Ni is bonded to twelve Mg atoms to form NiMg12 cuboctahedra that share corners with six equivalent NiMg12 cuboctahedra, corners with twelve MgNa2Mg10 cuboctahedra, edges with six equivalent MgMg10Ni2 cuboctahedra, faces with two equivalent NaMg12 cuboctahedra, and faces with twelve MgMg10Ni2 cuboctahedra.
DOI: 10.17188/1651859
title: Materials Data on CaAl2H4Pb2(O2F3)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: 10.17188/1651861
title: Materials Data on Na5LiCo2P2(CO7)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: 10.17188/1651862
title: Materials Data on Mg2Ru by Materials Project

description: Mg2Ru crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 2-coordinate geometry to four equivalent Ru atoms. There are a spread of Mg–Ru bond distances ranging from 2.60–2.94 Å. Ru is bonded in a 10-coordinate geometry to eight equivalent Mg and two equivalent Ru atoms. Both Ru–Ru bond lengths are 2.56 Å.