cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1697757
title: Materials Data on RbHg5Cl11 by Materials Project

description: RbHg5Cl11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.36–3.90 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to seven Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.34–3.44 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent Cl1- atoms. Both Hg–Cl bond lengths are 2.34 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rb1+ and three equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent Rb1+ and four equivalent Hg2+ atoms to form corner-sharing ClRb2Hg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rb1+ and two equivalent Hg2+ atoms.
DOI: 10.17188/1697758
title: Materials Data on Dy6InCo2 by Materials Project

description: Dy6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.80 Å) and one longer (3.21 Å) Dy–Co bond lengths. There are one shorter (3.09 Å) and one longer (3.33 Å) Dy–In bond lengths. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.91 Å) and one longer (3.22 Å) Dy–Co bond lengths. There are one shorter (3.23 Å) and one longer (3.64 Å) Dy–In bond lengths. In the third Dy site, Dy is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.74 Å) and two longer (2.86 Å) Dy–Co bond lengths. The Dy–In bond length is 3.42 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. The Co–Co bond length is 2.57 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. The Co–Co bond length is 2.24 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Dy atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Dy atoms.
DOI: 10.17188/1697759
title: Materials Data on Dy(SN)3 by Materials Project

description: (DyS3)2(N2)3 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one triazane molecule and one DyS3 sheet oriented in the (0, 0, 1) direction. In the DyS3 sheet, Dy3+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Dy–S bond distances ranging from 2.74–3.09 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two S2- atoms. There are one shorter (2.13 Å) and one longer (2.86 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two S2- atoms. The S–S bond length is 2.10 Å. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two S2- atoms.
DOI: 10.17188/1697760
title: Materials Data on Ba2U(PO5)2 by Materials Project

description: Ba2U(PO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.10 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.64–3.07 Å. U6+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of U–O bond distances ranging from 1.83–2.32 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ba2+, one U6+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one U6+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one U6+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Ba2+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Ba2+ and one U6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one P5+ atom.
DOI: 10.17188/1697761
title: Materials Data on TeS3N2 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: 10.17188/1697762
title: Materials Data on CoO2 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: 10.17188/1697763
title: Materials Data on NaYbCl4 by Materials Project

description: NaYbCl4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded to six Cl1- atoms to form distorted NaCl6 octahedra that share corners with eight equivalent YbCl6 octahedra and edges with two equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 36–61°. There are a spread of Na–Cl bond distances ranging from 2.68–3.16 Å. Yb3+ is bonded to six Cl1- atoms to form YbCl6 octahedra that share corners with eight equivalent NaCl6 octahedra and edges with two equivalent YbCl6 octahedra. The corner-sharing octahedra tilt angles range from 36–61°. There are four shorter (2.68 Å) and two longer (2.86 Å) Yb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Yb3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Yb3+ atom.
DOI: 10.17188/1697766
title: Materials Data on Ba(SO4)2 by Materials Project

description: BaS2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Ba(SO3)2 framework. In the Ba(SO3)2 framework, Ba is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ba–O bond distances ranging from 2.63–2.81 Å. S is bonded in a trigonal non-coplanar geometry to three O atoms. All S–O bond lengths are 1.47 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ba and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ba and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to one Ba and one S atom.
DOI: 10.17188/1697767
title: Materials Data on HoFe5P3 by Materials Project

description: HoFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to ten Fe and six P atoms. There are a spread of Ho–Fe bond distances ranging from 2.94–3.11 Å. There are a spread of Ho–P bond distances ranging from 2.78–2.87 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.55 Å. In the second Fe site, Fe is bonded to three equivalent Ho and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeHo3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.25–2.30 Å. In the third Fe site, Fe is bonded to three equivalent Ho and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeHo3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.36 Å. In the fourth Fe site, Fe is bonded to three equivalent Ho and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeHo3P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Ho and four P atoms to form distorted FeHoP4 tetrahedra that share corners with nine FeHo3P4 tetrahedra, edges with five FeHoP4 tetrahedra, and faces with two equivalent FeHo3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.24 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Fe atoms.
DOI: 10.17188/1697768
title: Materials Data on CeMg14C by Materials Project

description: Mg14CeC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.96–3.35 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.42 Å. In the third Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg, two equivalent Ce, and one C atom. Both Mg–Mg bond lengths are 3.33 Å. There are one shorter (3.23 Å) and one longer (3.43 Å) Mg–Ce bond lengths. The Mg–C bond length is 2.39 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.92–3.15 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to five Mg and one Ce atom. There are one shorter (3.22 Å) and one longer (3.43 Å) Mg–Mg bond lengths. The Mg–Ce bond length is 3.33 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one Ce atom. Both Mg–Mg bond lengths are 3.24 Å. The Mg–Ce bond length is 3.16 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg, two equivalent Ce, and one C atom. Both Mg–Ce bond lengths are 3.49 Å. The Mg–C bond length is 2.44 Å. Ce is bonded in a 2-coordinate geometry to fourteen Mg and two equivalent C atoms. Both Ce–C bond lengths are 3.08 Å. C is bonded in a 6-coordinate geometry to four Mg and two equivalent Ce atoms.
DOI: 10.17188/1697769
title: Materials Data on Sr2(ZnAu2)3 by Materials Project

description: Sr2(Au2Zn)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to twelve equivalent Au atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.72 Å. Au is bonded in a 2-coordinate geometry to four equivalent Sr, four equivalent Au, and three equivalent Zn atoms. There are a spread of Au–Au bond distances ranging from 2.92–3.08 Å. There are two shorter (2.66 Å) and one longer (2.84 Å) Au–Zn bond lengths. Zn is bonded in a 6-coordinate geometry to six equivalent Au atoms.
DOI: 10.17188/1697770
title: Materials Data on CaAl3Au by Materials Project

description: CaAuAl3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two CaAuAl3 sheets oriented in the (0, 0, 1) direction. Ca is bonded in a 8-coordinate geometry to four equivalent Au and four equivalent Al atoms. All Ca–Au bond lengths are 3.22 Å. All Ca–Al bond lengths are 3.19 Å. Au is bonded in a 9-coordinate geometry to four equivalent Ca and five Al atoms. There are one shorter (2.55 Å) and four longer (2.64 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to two equivalent Au atoms. In the second Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ca and one Au atom.
DOI: 10.17188/1697771
title: Materials Data on Cs(CrS2)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: 10.17188/1697772
title: Materials Data on Tb3Ge5 by Materials Project

description: Tb3Ge5 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.97–3.49 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.58 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Tb and two Ge atoms.
DOI: 10.17188/1697773
title: Materials Data on Co4SbO8 by Materials Project

description: Co4SbO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co+2.75+ sites. In the first Co+2.75+ site, Co+2.75+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There is three shorter (1.96 Å) and one longer (1.98 Å) Co–O bond length. In the second Co+2.75+ site, Co+2.75+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent CoO6 octahedra, and edges with two equivalent SbO6 octahedra. There are a spread of Co–O bond distances ranging from 1.90–2.07 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with four equivalent CoO6 octahedra. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Co+2.75+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co+2.75+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.75+ and one Sb5+ atom.
DOI: 10.17188/1697774
title: Materials Data on Li2Fe(WO4)2 by Materials Project

description: Li2Fe(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four WO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.15 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four WO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.04 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four LiO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.78–1.87 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with two equivalent FeO4 tetrahedra and corners with four LiO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.78–1.87 Å. Fe2+ is bonded to four O2- atoms to form distorted FeO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four WO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 2.04–2.07 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one W6+, and one Fe2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one W6+, and one Fe2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one W6+, and one Fe2+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one W6+, and one Fe2+ atom.
DOI: 10.17188/1697775
title: Materials Data on DyClO by Materials Project

description: DyOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DyOCl sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing DyCl2O4 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.25 Å) and two longer (2.31 Å) Dy–O bond lengths. Both Dy–Cl bond lengths are 2.69 Å. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.
DOI: 10.17188/1697776
title: Materials Data on Zr3AlCo8 by Materials Project

description: Zr3Co8Al is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to twelve Co atoms. There are nine shorter (2.85 Å) and three longer (2.89 Å) Zr–Co bond lengths. In the second Zr site, Zr is bonded in a 9-coordinate geometry to twelve Co and one Al atom. There are a spread of Zr–Co bond distances ranging from 2.79–3.00 Å. The Zr–Al bond length is 2.87 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to twelve Co and three equivalent Al atoms. There are a spread of Zr–Co bond distances ranging from 2.74–2.89 Å. All Zr–Al bond lengths are 2.93 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four Zr, six Co, and two equivalent Al atoms to form a mixture of edge, face, and corner-sharing CoZr4Al2Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.46 Å. Both Co–Al bond lengths are 2.85 Å. In the second Co site, Co is bonded to five Zr, six Co, and one Al atom to form a mixture of edge, face, and corner-sharing CoZr5AlCo6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.46 Å. The Co–Al bond length is 2.79 Å. In the third Co site, Co is bonded to three equivalent Zr, six Co, and three equivalent Al atoms to form CoZr3Al3Co6 cuboctahedra that share corners with eighteen CoZr4Al2Co6 cuboctahedra, edges with six equivalent CoZr3Al3Co6 cuboctahedra, and faces with eighteen CoZr4Al2Co6 cuboctahedra. All Co–Al bond lengths are 2.84 Å. In the fourth Co site, Co is bonded to six Zr and six Co atoms to form CoZr6Co6 cuboctahedra that share corners with eighteen CoZr3Al3Co6 cuboctahedra, edges with six equivalent CoZr6Co6 cuboctahedra, and faces with eighteen CoZr4Al2Co6 cuboctahedra. Al is bonded in a 7-coordinate geometry to four Zr and twelve Co atoms.
DOI: 10.17188/1697777
title: Materials Data on Ta2ZnS4 by Materials Project

description: Ta2ZnS4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ta2ZnS4 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with six equivalent ZnS6 octahedra, edges with six equivalent TaS6 pentagonal pyramids, and a faceface with one ZnS6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three shorter (2.48 Å) and three longer (2.52 Å) Ta–S bond lengths. Zn2+ is bonded to six equivalent S2- atoms to form ZnS6 octahedra that share corners with twelve equivalent TaS6 pentagonal pyramids, edges with six equivalent ZnS6 octahedra, and faces with two equivalent TaS6 pentagonal pyramids. All Zn–S bond lengths are 2.51 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ta3+ and three equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing STa3Zn3 pentagonal pyramids. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ta3+ atoms.
DOI: 10.17188/1697778
title: Materials Data on Rb3LiZn2(MoO4)4 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: 10.17188/1697779
title: Materials Data on Al 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: 10.17188/1697780
title: Materials Data on KH4C6O3F5 by Materials Project

description: KC4H4(OF2)2COCF crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four fluoromethane molecules; four formaldehyde molecules; and two KC4H4(OF2)2 ribbons oriented in the (0, 0, 1) direction. In each KC4H4(OF2)2 ribbon, K1+ is bonded in a 8-coordinate geometry to four equivalent O2- and four F1- atoms. There are two shorter (2.78 Å) and two longer (2.80 Å) K–O bond lengths. There are two shorter (2.97 Å) and two longer (3.25 Å) K–F bond lengths. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.36 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.36 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one K1+ and one C1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one C1+ atom.