cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743918
title: Materials Data on Lu2Si5Ni3 by Materials Project

description: Lu2Ni3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.83–3.12 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.34 Å) and two longer (2.58 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ni–Si bond distances ranging from 2.24–2.32 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Ni2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms.
DOI: 10.17188/1743919
title: Materials Data on Mg3Si3(AgO6)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: 10.17188/1743920
title: Materials Data on V6FeNi by Materials Project

description: V6FeNi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Fe, and two equivalent Ni atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) V–V bond lengths. Both V–Fe bond lengths are 2.60 Å. Both V–Ni bond lengths are 2.61 Å. Fe is bonded to twelve equivalent V atoms to form FeV12 cuboctahedra that share edges with six equivalent FeV12 cuboctahedra and faces with eight equivalent NiV12 cuboctahedra. Ni is bonded to twelve equivalent V atoms to form NiV12 cuboctahedra that share edges with six equivalent NiV12 cuboctahedra and faces with eight equivalent FeV12 cuboctahedra.
DOI: 10.17188/1743921
title: Materials Data on OsC8I4N3OF by Materials Project

description: OsC8N3OI4F crystallizes in the orthorhombic Pca2_1 space group. The structure is one-dimensional and consists of two OsC8N3OI4F ribbons oriented in the (0, 0, 1) direction. Os2- is bonded in a distorted linear geometry to one N3-, four I1-, and one F1- atom. The Os–N bond length is 1.76 Å. There are two shorter (2.69 Å) and two longer (2.80 Å) Os–I bond lengths. The Os–F bond length is 1.95 Å. There are eight inequivalent C+2.25+ sites. In the first C+2.25+ site, C+2.25+ is bonded in a distorted single-bond geometry to one C+2.25+ and one N3- atom. The C–C bond length is 1.24 Å. The C–N bond length is 1.26 Å. In the second C+2.25+ site, C+2.25+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.58 Å. In the third C+2.25+ site, C+2.25+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.58 Å. In the fourth C+2.25+ site, C+2.25+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.64 Å. In the fifth C+2.25+ site, C+2.25+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.65 Å. In the sixth C+2.25+ site, C+2.25+ is bonded in a distorted linear geometry to one C+2.25+ and one I1- atom. The C–I bond length is 1.96 Å. In the seventh C+2.25+ site, C+2.25+ is bonded in a distorted single-bond geometry to one C+2.25+ and one N3- atom. The C–C bond length is 1.27 Å. The C–N bond length is 1.25 Å. In the eighth C+2.25+ site, C+2.25+ is bonded in a bent 150 degrees geometry to one C+2.25+ and one I1- atom. The C–I bond length is 1.99 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two C+2.25+ atoms. In the second N3- site, N3- is bonded in a linear geometry to one Os2- and one O2- atom. The N–O bond length is 1.18 Å. In the third N3- site, N3- is bonded in a 4-coordinate geometry to four C+2.25+ and one I1- atom. The N–I bond length is 3.47 Å. O2- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to one Os2-, one C+2.25+, one N3-, and one F1- atom. The I–F bond length is 3.14 Å. In the second I1- site, I1- is bonded in a 2-coordinate geometry to one Os2- and one C+2.25+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to one Os2- atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to one Os2- atom. F1- is bonded in a single-bond geometry to one Os2- and one I1- atom.
DOI: 10.17188/1743922
title: Materials Data on Sr15Fe10(Bi5O23)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: 10.17188/1743924
title: Materials Data on Hf3(VGa3)2 by Materials Project

description: Hf3(VGa3)2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent V and nine Ga atoms. Both Hf–V bond lengths are 3.02 Å. There are a spread of Hf–Ga bond distances ranging from 2.84–3.02 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to four equivalent V and seven Ga atoms. All Hf–V bond lengths are 3.09 Å. There are a spread of Hf–Ga bond distances ranging from 2.74–2.94 Å. V is bonded to four Hf, two equivalent V, and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing VHf4V2Ga6 cuboctahedra. Both V–V bond lengths are 2.69 Å. There are a spread of V–Ga bond distances ranging from 2.56–2.79 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four Hf, two equivalent V, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three Hf, four equivalent V, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four Hf and four equivalent V atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to five Hf and five Ga atoms. There are one shorter (2.58 Å) and one longer (2.80 Å) Ga–Ga bond lengths.
DOI: 10.17188/1743925
title: Materials Data on Sr(AsPt)2 by Materials Project

description: SrPt2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.39 Å) and four longer (3.46 Å) Sr–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent As1+ atoms. All Pt–As bond lengths are 2.61 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are one shorter (2.53 Å) and four longer (2.56 Å) Pt–As bond lengths. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of distorted corner and edge-sharing AsPt4 tetrahedra.
DOI: 10.17188/1743926
title: Materials Data on DyMgTl by Materials Project

description: MgDyTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Tl atoms. There are two shorter (2.93 Å) and two longer (2.97 Å) Mg–Tl bond lengths. Dy is bonded in a 5-coordinate geometry to five Tl atoms. There are four shorter (3.24 Å) and one longer (3.25 Å) Dy–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Dy atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Dy atoms.
DOI: 10.17188/1743927
title: Materials Data on LiIn(MoSe)6 by Materials Project

description: LiIn(MoSe)6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Se atoms. All Li–Se bond lengths are 2.80 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.75 Å. There are a spread of Mo–Se bond distances ranging from 2.63–2.70 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. Both Mo–Mo bond lengths are 2.68 Å. There are a spread of Mo–Se bond distances ranging from 2.61–2.73 Å. In is bonded in a trigonal planar geometry to three equivalent Se atoms. All In–Se bond lengths are 2.94 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Li and four Mo atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.
DOI: 10.17188/1743928
title: Materials Data on K2YAuCl6 by Materials Project

description: K2YAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent YCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All K–Cl bond lengths are 3.80 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Cl bond lengths are 2.63 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent YCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.74 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Y3+, and one Au1+ atom.
DOI: 10.17188/1743929
title: Materials Data on CaFeO2 by Materials Project

description: CaFeO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–65°. There are a spread of Ca–O bond distances ranging from 2.34–2.57 Å. Fe2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OCa3Fe2 trigonal bipyramids.
DOI: 10.17188/1743930
title: Materials Data on CsYb3 by Materials Project

description: CsYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Yb atoms to form CsYb12 cuboctahedra that share corners with four equivalent CsYb12 cuboctahedra, corners with eight equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are eight shorter (4.17 Å) and four longer (4.21 Å) Cs–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Cs and eight Yb atoms to form distorted YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are four shorter (4.17 Å) and four longer (4.21 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with four equivalent YbCs4Yb8 cuboctahedra, corners with eight equivalent CsYb12 cuboctahedra, edges with twenty-four YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and faces with twelve YbCs4Yb8 cuboctahedra.
DOI: 10.17188/1743931
title: Materials Data on Mg2MoW3S8 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: 10.17188/1743932
title: Materials Data on NaSm(PO3)4 by Materials Project

description: NaSm(PO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.78 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.51 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.62 Å) P–O bond length. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sm3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sm3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sm3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sm3+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sm3+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sm3+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sm3+, and one P5+ atom.
DOI: 10.17188/1743933
title: Materials Data on Bi4(TeSe)3 by Materials Project

description: Bi4(TeSe)3 is MAX Phase-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Bi4(TeSe)3 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Se2- atoms to form BiSe6 octahedra that share corners with three equivalent BiTe3Se3 octahedra, corners with three equivalent TeBi3Se3 octahedra, edges with three equivalent TeBi3Se3 octahedra, and edges with nine BiSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are three shorter (2.91 Å) and three longer (3.11 Å) Bi–Se bond lengths. In the second Bi3+ site, Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.07 Å. All Bi–Se bond lengths are 3.11 Å. In the third Bi3+ site, Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.07 Å. All Bi–Se bond lengths are 3.13 Å. In the fourth Bi3+ site, Bi3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing BiTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Te bond lengths are 3.07 Å. All Bi–Se bond lengths are 3.12 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Bi3+ and three equivalent Se2- atoms to form distorted TeBi3Se3 octahedra that share corners with three equivalent BiSe6 octahedra, corners with three equivalent SeBi6 octahedra, edges with three equivalent BiSe6 octahedra, edges with three equivalent SeBi6 octahedra, and edges with six equivalent TeBi3Se3 octahedra. The corner-sharing octahedra tilt angles range from 2–20°. All Te–Se bond lengths are 3.99 Å. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six Bi3+ atoms to form SeBi6 octahedra that share corners with three equivalent TeBi3Se3 octahedra, edges with three equivalent TeBi3Se3 octahedra, and edges with six equivalent SeBi6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Se2- site, Se2- is bonded to six Bi3+ atoms to form edge-sharing SeBi6 octahedra. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.
DOI: 10.17188/1743934
title: Materials Data on Li4Cu2Ni3Sb3O16 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: 10.17188/1743935
title: Materials Data on CdIn2SeS3 by Materials Project

description: CdIn2SeS3 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CdSe2S2 tetrahedra that share corners with twelve InSeS5 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. Both Cd–Se bond lengths are 2.65 Å. Both Cd–S bond lengths are 2.56 Å. In the second Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with twelve InSeS5 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are two shorter (2.61 Å) and two longer (2.62 Å) Cd–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to one Se2- and five S2- atoms to form InSeS5 octahedra that share corners with six CdSe2S2 tetrahedra and edges with six InSeS5 octahedra. The In–Se bond length is 2.74 Å. There are a spread of In–S bond distances ranging from 2.66–2.69 Å. In the second In3+ site, In3+ is bonded to two equivalent Se2- and four S2- atoms to form InSe2S4 octahedra that share corners with six CdSe2S2 tetrahedra and edges with six InSeS5 octahedra. Both In–Se bond lengths are 2.74 Å. There are a spread of In–S bond distances ranging from 2.66–2.69 Å. Se2- is bonded to one Cd2+ and three In3+ atoms to form distorted SeCdIn3 trigonal pyramids that share a cornercorner with one SeCdIn3 trigonal pyramid, corners with eleven SCdIn3 trigonal pyramids, an edgeedge with one SeCdIn3 trigonal pyramid, and edges with two equivalent SCdIn3 trigonal pyramids. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to one Cd2+ and three In3+ atoms to form distorted SCdIn3 trigonal pyramids that share corners with two equivalent SeCdIn3 trigonal pyramids, corners with ten SCdIn3 trigonal pyramids, an edgeedge with one SCdIn3 trigonal pyramid, and edges with two equivalent SeCdIn3 trigonal pyramids. In the second S2- site, S2- is bonded to one Cd2+ and three In3+ atoms to form distorted SCdIn3 trigonal pyramids that share corners with five equivalent SeCdIn3 trigonal pyramids, corners with seven SCdIn3 trigonal pyramids, and edges with three SCdIn3 trigonal pyramids. In the third S2- site, S2- is bonded to one Cd2+ and three In3+ atoms to form distorted SCdIn3 trigonal pyramids that share corners with four equivalent SeCdIn3 trigonal pyramids, corners with eight SCdIn3 trigonal pyramids, and edges with three SCdIn3 trigonal pyramids.
DOI: 10.17188/1743936
title: Materials Data on LiFePO4 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: 10.17188/1743937
title: Materials Data on CoTe2O5 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: 10.17188/1743938
title: Materials Data on ZnPt(CN)4 by Materials Project

description: PtZn(CN)4 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four equivalent C2+ atoms. All Pt–C bond lengths are 1.98 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.