cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1690500
title: Materials Data on Ba3Yb by Materials Project

description: Ba3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Yb atoms to form BaBa8Yb4 cuboctahedra that share corners with four equivalent YbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Yb4 cuboctahedra, edges with six equivalent YbBa12 cuboctahedra, edges with twelve equivalent BaBa8Yb4 cuboctahedra, faces with four equivalent YbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Yb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.31–4.37 Å. There are two shorter (4.32 Å) and two longer (4.34 Å) Ba–Yb bond lengths. Yb is bonded to twelve equivalent Ba atoms to form YbBa12 cuboctahedra that share corners with six equivalent YbBa12 cuboctahedra, corners with twelve equivalent BaBa8Yb4 cuboctahedra, edges with eighteen equivalent BaBa8Yb4 cuboctahedra, faces with eight equivalent YbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Yb4 cuboctahedra.
DOI: 10.17188/1690501
title: Materials Data on Na3Mg4CrSi8(O11F)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: 10.17188/1690502
title: Materials Data on Ba4Ga3Si20 by Materials Project

description: Ba4Ga3Si20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to twenty Si+0.80- atoms. There are eight shorter (3.36 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Si+0.80- atoms. All Ba–Si bond lengths are 3.56 Å. Ga+2.67+ is bonded in a tetrahedral geometry to four equivalent Si+0.80- atoms. All Ga–Si bond lengths are 2.49 Å. There are two inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 8-coordinate geometry to one Ba2+ and four Si+0.80- atoms. There are one shorter (2.36 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to three Ba2+, one Ga+2.67+, and three Si+0.80- atoms. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1690503
title: Materials Data on LaGdN2 by Materials Project

description: GdLaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent N3- atoms to form GdN6 octahedra that share corners with six equivalent LaN6 octahedra, edges with six equivalent GdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Gd–N bond lengths are 2.54 Å. La3+ is bonded to six equivalent N3- atoms to form LaN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent GdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All La–N bond lengths are 2.62 Å. N3- is bonded to three equivalent Gd3+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing NLa3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1690504
title: Materials Data on LiB6(H5O)2 by Materials Project

description: Li(H2O)2(BH)6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twenty-four boranediylradical molecules and two Li(H2O)2 clusters. In each Li(H2O)2 cluster, Li is bonded in a 3-coordinate geometry to three O atoms. There are one shorter (2.00 Å) and two longer (2.16 Å) Li–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li and two equivalent H atoms.
DOI: 10.17188/1690505
title: Materials Data on V3O5 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: 10.17188/1690506
title: Materials Data on Ca2NiOsO6 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: 10.17188/1690508
title: Materials Data on Lu6(Ga3Co)7 by Materials Project

description: Lu6(CoGa3)7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six Co and twelve Ga atoms. There are four shorter (3.20 Å) and two longer (3.29 Å) Lu–Co bond lengths. There are a spread of Lu–Ga bond distances ranging from 3.06–3.26 Å. In the second Lu site, Lu is bonded to one Co and eleven Ga atoms to form distorted LuGa11Co cuboctahedra that share corners with six equivalent LuGa11Co cuboctahedra, edges with two equivalent CoLu4Ga8 cuboctahedra, a faceface with one CoLu4Ga8 cuboctahedra, and faces with four equivalent LuGa11Co cuboctahedra. The Lu–Co bond length is 2.95 Å. There are a spread of Lu–Ga bond distances ranging from 2.87–3.15 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Lu and eight equivalent Ga atoms to form CoLu4Ga8 cuboctahedra that share edges with eight equivalent LuGa11Co cuboctahedra, faces with two equivalent CoLu4Ga8 cuboctahedra, and faces with four equivalent LuGa11Co cuboctahedra. All Co–Ga bond lengths are 2.82 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to two equivalent Lu and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.38–2.47 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to two equivalent Lu and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.39–2.52 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to three Lu, two equivalent Co, and three Ga atoms. There are two shorter (2.80 Å) and one longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Lu, four equivalent Co, and four equivalent Ga atoms to form face-sharing GaLu4Ga4Co4 cuboctahedra. All Ga–Ga bond lengths are 2.68 Å. In the third Ga site, Ga is bonded in a distorted pentagonal planar geometry to two equivalent Lu and three Co atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to three Lu, two equivalent Co, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.91 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Lu, four equivalent Co, and four Ga atoms. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to four Lu, two Co, and four Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Lu, two equivalent Co, and four Ga atoms. Both Ga–Ga bond lengths are 2.72 Å.
DOI: 10.17188/1690509
title: Materials Data on Ce6Mg23Si by Materials Project

description: Mg23Ce6Si crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg and three equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.03–3.50 Å. All Mg–Ce bond lengths are 3.54 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ce atoms to form MgCe4Mg8 cuboctahedra that share corners with four equivalent MgCe4Mg8 cuboctahedra, edges with two equivalent SiCe6 octahedra, and faces with eight equivalent MgCe4Mg8 cuboctahedra. All Mg–Mg bond lengths are 2.96 Å. All Mg–Ce bond lengths are 3.68 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the fourth Mg site, Mg is bonded in a distorted q6 geometry to nine Mg and three equivalent Ce atoms. All Mg–Mg bond lengths are 3.24 Å. All Mg–Ce bond lengths are 3.53 Å. Ce is bonded in a distorted single-bond geometry to twelve Mg and one Si atom. The Ce–Si bond length is 2.95 Å. Si is bonded to six equivalent Ce atoms to form SiCe6 octahedra that share edges with twelve equivalent MgCe4Mg8 cuboctahedra.
DOI: 10.17188/1690510
title: Materials Data on Li2ZnHg by Materials Project

description: Li2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2HgZn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Hg and one Zn atom. The Li–Hg bond length is 2.82 Å. The Li–Zn bond length is 2.79 Å. Hg is bonded in a linear geometry to two equivalent Li atoms. Zn is bonded in a linear geometry to two equivalent Li atoms.
DOI: 10.17188/1690511
title: Materials Data on Li2Co(CO3)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: 10.17188/1690512
title: Materials Data on Rb5CeNi2(NO2)12 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: 10.17188/1690513
title: Materials Data on Li3V4FeO12 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: 10.17188/1690514
title: Materials Data on Na2YHgF6 by Materials Project

description: (Na)2YHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one YHgF6 framework. In the YHgF6 framework, Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.17 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent YF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.52 Å. F1- is bonded in a linear geometry to one Y3+ and one Hg1+ atom.
DOI: 10.17188/1690516
title: Materials Data on NbMoS3 by Materials Project

description: NbMoS3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nb4+ is bonded to six S2- atoms to form distorted NbS6 octahedra that share corners with six equivalent MoS6 octahedra, edges with six equivalent NbS6 octahedra, and a faceface with one MoS6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Nb–S bond distances ranging from 2.45–2.80 Å. Mo2+ is bonded to six S2- atoms to form MoS6 octahedra that share corners with six equivalent NbS6 octahedra, edges with four equivalent MoS6 octahedra, and a faceface with one NbS6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Mo–S bond distances ranging from 2.35–2.63 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Nb4+ and two equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Nb4+ and one Mo2+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo2+ atoms.
DOI: 10.17188/1690517
title: Materials Data on CsBa3 by Materials Project

description: CsBa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Ba atoms to form CsBa12 cuboctahedra that share corners with four equivalent CsBa12 cuboctahedra, corners with eight equivalent BaCs4Ba8 cuboctahedra, edges with eight equivalent CsBa12 cuboctahedra, edges with sixteen equivalent BaCs4Ba8 cuboctahedra, faces with four equivalent CsBa12 cuboctahedra, and faces with fourteen BaCs4Ba8 cuboctahedra. There are four shorter (4.59 Å) and eight longer (4.70 Å) Cs–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Cs and eight Ba atoms to form BaCs4Ba8 cuboctahedra that share corners with twelve equivalent BaCs4Ba8 cuboctahedra, edges with eight equivalent CsBa12 cuboctahedra, edges with sixteen BaCs4Ba8 cuboctahedra, faces with four equivalent CsBa12 cuboctahedra, and faces with fourteen BaCs4Ba8 cuboctahedra. There are four shorter (4.59 Å) and four longer (4.70 Å) Ba–Ba bond lengths. In the second Ba site, Ba is bonded to four equivalent Cs and eight equivalent Ba atoms to form BaCs4Ba8 cuboctahedra that share corners with four equivalent BaCs4Ba8 cuboctahedra, corners with eight equivalent CsBa12 cuboctahedra, edges with twenty-four BaCs4Ba8 cuboctahedra, faces with six equivalent CsBa12 cuboctahedra, and faces with twelve BaCs4Ba8 cuboctahedra.
DOI: 10.17188/1690520
title: Materials Data on Pr2P3H5WO9 by Materials Project

description: Pr2WP3H5O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.33–2.68 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to one H+0.60+ and seven O2- atoms. The Pr–H bond length is 2.14 Å. There are a spread of Pr–O bond distances ranging from 2.31–2.94 Å. W2+ is bonded in a distorted rectangular see-saw-like geometry to two H+0.60+ and two O2- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) W–H bond length. There are one shorter (2.30 Å) and one longer (2.34 Å) W–O bond lengths. There are three inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a distorted tetrahedral geometry to one H+0.60+ and three O2- atoms. The P–H bond length is 1.43 Å. There are a spread of P–O bond distances ranging from 1.51–1.57 Å. In the second P+2.33+ site, P+2.33+ is bonded in a distorted tetrahedral geometry to one H+0.60+ and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the third P+2.33+ site, P+2.33+ is bonded in a distorted tetrahedral geometry to one H+0.60+ and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are five inequivalent H+0.60+ sites. In the first H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one P+2.33+ atom. In the second H+0.60+ site, H+0.60+ is bonded in a bent 150 degrees geometry to one Pr3+ and one W2+ atom. In the third H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one W2+ atom. In the fourth H+0.60+ site, H+0.60+ is bonded in a distorted single-bond geometry to one P+2.33+ atom. In the fifth H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one P+2.33+ atom. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one P+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+, one W2+, and one P+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+ and one P+2.33+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one P+2.33+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Pr3+ and one P+2.33+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Pr3+, one W2+, and one P+2.33+ atom.
DOI: 10.17188/1690522
title: Materials Data on Mg5Mn4 by Materials Project

description: Mg5Mn4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and five Mn atoms. There are a spread of Mg–Mg bond distances ranging from 2.86–3.20 Å. There are a spread of Mg–Mn bond distances ranging from 2.80–3.18 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six Mn atoms. There are two shorter (2.86 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Mn bond distances ranging from 2.76–3.03 Å. In the third Mg site, Mg is bonded to eight Mg and four Mn atoms to form distorted MgMg8Mn4 cuboctahedra that share corners with four equivalent MgMg8Mn4 cuboctahedra, an edgeedge with one MgMg8Mn4 cuboctahedra, edges with two equivalent MnMg8Mn4 cuboctahedra, faces with two equivalent MgMg8Mn4 cuboctahedra, and faces with two equivalent MnMg8Mn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.86–3.14 Å. There are two shorter (2.91 Å) and two longer (2.96 Å) Mg–Mn bond lengths. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to three Mg and five Mn atoms. The Mg–Mg bond length is 3.14 Å. There are a spread of Mg–Mn bond distances ranging from 2.65–2.75 Å. In the fifth Mg site, Mg is bonded in a 6-coordinate geometry to seven Mg and six Mn atoms. Both Mg–Mg bond lengths are 2.86 Å. There are a spread of Mg–Mn bond distances ranging from 2.80–3.38 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to four equivalent Mg and two equivalent Mn atoms. Both Mn–Mn bond lengths are 2.38 Å. In the second Mn site, Mn is bonded in a 2-coordinate geometry to eight Mg and two equivalent Mn atoms. Both Mn–Mn bond lengths are 2.86 Å. In the third Mn site, Mn is bonded in a 11-coordinate geometry to six Mg and five Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.50–2.86 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to six Mg and four Mn atoms. Both Mn–Mn bond lengths are 2.86 Å. In the fifth Mn site, Mn is bonded to eight Mg and four Mn atoms to form distorted MnMg8Mn4 cuboctahedra that share corners with six equivalent MnMg8Mn4 cuboctahedra, edges with two equivalent MgMg8Mn4 cuboctahedra, edges with two equivalent MnMg8Mn4 cuboctahedra, faces with two equivalent MgMg8Mn4 cuboctahedra, and faces with two equivalent MnMg8Mn4 cuboctahedra. Both Mn–Mn bond lengths are 2.86 Å.
DOI: 10.17188/1690523
title: Materials Data on ZrZnPt2 by Materials Project

description: ZrPt2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Zr–Pt bond lengths are 2.81 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Zr2+ and four equivalent Zn2+ atoms. All Pt–Zn bond lengths are 2.81 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1690524
title: Materials Data on Ti2CoNiSn2 by Materials Project

description: Ti2CoNiSn2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four Sn atoms. The Ti–Co bond length is 2.65 Å. All Ti–Ni bond lengths are 2.65 Å. There are three shorter (2.67 Å) and one longer (2.68 Å) Ti–Sn bond lengths. In the second Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four Sn atoms. All Ti–Co bond lengths are 2.66 Å. The Ti–Ni bond length is 2.65 Å. There are one shorter (2.63 Å) and three longer (2.64 Å) Ti–Sn bond lengths. Co is bonded to four Ti atoms to form distorted CoTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with six equivalent CoTi4 tetrahedra, corners with six equivalent NiTi4 tetrahedra, and edges with six SnTi4 tetrahedra. Ni is bonded to four Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with six equivalent CoTi4 tetrahedra, corners with six equivalent NiTi4 tetrahedra, and edges with six SnTi4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve SnTi4 tetrahedra, edges with three equivalent CoTi4 tetrahedra, and edges with three equivalent NiTi4 tetrahedra. In the second Sn site, Sn is bonded to four Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent CoTi4 tetrahedra, corners with twelve SnTi4 tetrahedra, edges with three equivalent CoTi4 tetrahedra, and edges with three equivalent NiTi4 tetrahedra.
DOI: 10.17188/1690526
title: Materials Data on KCuAg2(CN)4 by Materials Project

description: KAg2Cu(CN)4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 3.10–3.27 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent C2+ atoms. Both Ag–C bond lengths are 2.05 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent C2+ atoms. Both Ag–C bond lengths are 2.05 Å. Cu1+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.96 Å) and two longer (1.98 Å) Cu–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+, one Cu1+, and one C2+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Cu1+, and one C2+ atom.