cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1652434
title: Materials Data on Li5Mn(CoO4)2 by Materials Project

description: Li5Mn(CoO4)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one LiO6 octahedra, corners with two equivalent MnO6 octahedra, corners with three equivalent CoO6 octahedra, an edgeedge with one MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–10°. There are a spread of Li–O bond distances ranging from 2.05–2.27 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with two equivalent LiO6 octahedra, corners with three equivalent CoO6 octahedra, edges with two equivalent MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–12°. There are a spread of Li–O bond distances ranging from 2.04–2.18 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are two shorter (2.10 Å) and four longer (2.11 Å) Li–O bond lengths. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. There is two shorter (1.93 Å) and four longer (1.96 Å) Mn–O bond length. Co2+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. There are a spread of Co–O bond distances ranging from 1.78–2.21 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+, one Mn7+, and two equivalent Co2+ atoms to form a mixture of edge and corner-sharing OLi3MnCo2 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the second O2- site, O2- is bonded to three Li1+, two equivalent Mn7+, and one Co2+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third O2- site, O2- is bonded to four Li1+ and two equivalent Co2+ atoms to form a mixture of edge and corner-sharing OLi4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the fourth O2- site, O2- is bonded to five Li1+ and one Co2+ atom to form a mixture of edge and corner-sharing OLi5Co octahedra. The corner-sharing octahedra tilt angles range from 0–10°.
DOI: 10.17188/1652435
title: Materials Data on Sc2NiPd by Materials Project

description: Sc2PdNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdNi ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Ni atom. The Sc–Pd bond length is 2.47 Å. The Sc–Ni bond length is 2.26 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Ni is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1652436
title: Materials Data on BaAlPO5F by Materials Project

description: BaAlPO5F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to eight O and two equivalent F atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.17 Å. There are one shorter (2.69 Å) and one longer (2.86 Å) Ba–F bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent AlO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Al–O bond distances ranging from 1.87–1.98 Å. In the second Al site, Al is bonded to four O and two equivalent F atoms to form AlO4F2 octahedra that share corners with two equivalent AlO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.90 Å) and two longer (1.93 Å) Al–O bond length. Both Al–F bond lengths are 1.83 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 29–53°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ba, one Al, and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to one Ba and two Al atoms. In the third O site, O is bonded in a 2-coordinate geometry to two equivalent Ba, one Al, and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ba, one Al, and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one P atom. F is bonded in a distorted single-bond geometry to two equivalent Ba and one Al atom.
DOI: 10.17188/1652437
title: Materials Data on CeCu2SiGe by Materials Project

description: CeCu2(Si0.5Ge0.5)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Cu, four equivalent Ge, and four equivalent Si atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) Ce–Cu bond lengths. All Ce–Ge bond lengths are 3.16 Å. All Ce–Si bond lengths are 3.17 Å. Cu is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Cu, two equivalent Ge, and two equivalent Si atoms. All Cu–Cu bond lengths are 2.92 Å. Both Cu–Ge bond lengths are 2.47 Å. Both Cu–Si bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Cu, and one Si atom. The Ge–Si bond length is 2.43 Å. Si is bonded in a 1-coordinate geometry to four equivalent Ce, four equivalent Cu, and one Ge atom.
DOI: 10.17188/1652443
title: Materials Data on KOsO3 by Materials Project

description: KOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All K–O bond lengths are 2.78 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.97 Å. O2- is bonded to four equivalent K1+ and two equivalent Os5+ atoms to form a mixture of distorted corner, edge, and face-sharing OK4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1652444
title: Materials Data on K2CdAu by Materials Project

description: K2AuCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cd atoms. All K–Au bond lengths are 3.60 Å. All K–Cd bond lengths are 3.60 Å. Au is bonded in a body-centered cubic geometry to eight equivalent K atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1652445
title: Materials Data on RbSm(WO4)2 by Materials Project

description: RbSm(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.15 Å. Sm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.85 Å. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of W–O bond distances ranging from 1.83–2.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, two equivalent Sm3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Sm3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sm3+, and one W6+ atom.
DOI: 10.17188/1652446
title: Materials Data on Ho3(GeRh)2 by Materials Project

description: Ho3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.02 Å) and two longer (3.05 Å) Ho–Rh bond lengths. There are a spread of Ho–Ge bond distances ranging from 2.99–3.30 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Ho–Rh bond distances ranging from 2.90–3.13 Å. There are a spread of Ho–Ge bond distances ranging from 2.98–3.34 Å. Rh is bonded in a 9-coordinate geometry to six Ho and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Ho and four equivalent Rh atoms.
DOI: 10.17188/1652448
title: Materials Data on Nd3(Ge3Pt2)2 by Materials Project

description: Nd3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.27–3.30 Å. There are six shorter (3.11 Å) and two longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.35 Å) and two longer (3.39 Å) Nd–Pt bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.28–3.47 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.36–3.44 Å. There are a spread of Nd–Ge bond distances ranging from 3.25–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.75 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.54 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.73 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.55 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Pt atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to four Nd and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four Pt atoms.
DOI: 10.17188/1652449
title: Materials Data on Mn6O5F7 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: 10.17188/1652451
title: Materials Data on PaZnNi2 by Materials Project

description: PaNi2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Pa–Ni bond lengths are 2.72 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Zn atoms. All Ni–Zn bond lengths are 2.72 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1652452
title: Materials Data on NdNiSb2 by Materials Project

description: NdNiSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.31 Å) and four longer (3.34 Å) Nd–Sb bond lengths. Ni2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.56 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Ni2+ atoms.
DOI: 10.17188/1652453
title: Materials Data on Nd(ClO)3 by Materials Project

description: NdOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four oxygen molecules and two NdOCl3 sheets oriented in the (0, 0, 1) direction. In each NdOCl3 sheet, Nd is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.33 Å) and one longer (2.37 Å) Nd–O bond lengths. There are a spread of Nd–Cl bond distances ranging from 2.64–2.92 Å. O is bonded in a bent 150 degrees geometry to two equivalent Nd atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Nd atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Nd atom.
DOI: 10.17188/1652454
title: Materials Data on KTbS2O9 by Materials Project

description: KTbS2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.29 Å. Tb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.45 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one K, one Tb, and one S atom. In the second O site, O is bonded in a 1-coordinate geometry to one K, one Tb, and one S atom. In the third O site, O is bonded in a single-bond geometry to one K and one S atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one Tb, and one S atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one K, one Tb, and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one Tb atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one K, one Tb, and one S atom. In the eighth O site, O is bonded in a 1-coordinate geometry to one K, one Tb, and one S atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one K, one Tb, and one S atom.
DOI: 10.17188/1652456
title: Materials Data on CaCuO2 by Materials Project

description: CaCuO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.35 Å) and two longer (2.39 Å) Ca–O bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted linear geometry to six O2- atoms. There are two shorter (1.88 Å) and four longer (2.68 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ca2+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four Cu2+ atoms.
DOI: 10.17188/1652457
title: Materials Data on MnFe4B2P by Materials Project

description: MnFe4B2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to eight equivalent Fe, four equivalent B, and two equivalent P atoms. All Mn–Fe bond lengths are 2.49 Å. All Mn–B bond lengths are 2.20 Å. Both Mn–P bond lengths are 2.55 Å. Fe is bonded in a 5-coordinate geometry to two equivalent Mn, three equivalent B, and two equivalent P atoms. There are two shorter (2.15 Å) and one longer (2.18 Å) Fe–B bond lengths. Both Fe–P bond lengths are 2.34 Å. B is bonded in a 9-coordinate geometry to two equivalent Mn, six equivalent Fe, and one B atom. The B–B bond length is 1.84 Å. P is bonded in a 10-coordinate geometry to two equivalent Mn and eight equivalent Fe atoms.
DOI: 10.17188/1652459
title: Materials Data on Na2Li2CoO4 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: 10.17188/1652462
title: Materials Data on CeAg(WO4)2 by Materials Project

description: AgCe(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.70 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.13 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.81–2.21 Å. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–3.04 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, two W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one W6+, and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ce3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form distorted edge-sharing OAgW3 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+, one W6+, and one Ag1+ atom.
DOI: 10.17188/1652463
title: Materials Data on Ti6PtAu by Materials Project

description: Ti6PtAu crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, two equivalent Pt, and two equivalent Au atoms. There are one shorter (2.50 Å) and one longer (2.58 Å) Ti–Ti bond lengths. Both Ti–Pt bond lengths are 2.83 Å. Both Ti–Au bond lengths are 2.85 Å. Pt is bonded to twelve equivalent Ti atoms to form PtTi12 cuboctahedra that share edges with six equivalent PtTi12 cuboctahedra and faces with eight equivalent AuTi12 cuboctahedra. Au is bonded to twelve equivalent Ti atoms to form AuTi12 cuboctahedra that share edges with six equivalent AuTi12 cuboctahedra and faces with eight equivalent PtTi12 cuboctahedra.
DOI: 10.17188/1652464
title: Materials Data on Ho3C4 by Materials Project

description: Ho3C4 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six C+2.25- atoms to form HoC6 octahedra that share corners with two equivalent HoC6 octahedra, corners with four equivalent HoC7 pentagonal bipyramids, and edges with four equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.60 Å) Ho–C bond lengths. In the second Ho3+ site, Ho3+ is bonded to six C+2.25- atoms to form HoC6 octahedra that share a cornercorner with one HoC6 octahedra and edges with four equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ho–C bond distances ranging from 2.33–2.62 Å. In the third Ho3+ site, Ho3+ is bonded to seven C+2.25- atoms to form distorted HoC7 pentagonal bipyramids that share a cornercorner with one HoC6 octahedra, corners with two equivalent HoC7 pentagonal bipyramids, edges with three HoC6 octahedra, edges with two equivalent HoC7 pentagonal bipyramids, and faces with two equivalent HoC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ho–C bond distances ranging from 2.48–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven C+2.25- atoms. There are a spread of Ho–C bond distances ranging from 2.34–2.83 Å. There are seven inequivalent C+2.25- sites. In the first C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–85°. In the second C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Ho bond lengths are 2.34 Å. In the third C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Ho bond lengths are 2.34 Å. In the fourth C+2.25- site, C+2.25- is bonded to six Ho3+ atoms to form a mixture of edge and corner-sharing CHo6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fifth C+2.25- site, C+2.25- is bonded to five Ho3+ and one C+2.25- atom to form a mixture of edge and corner-sharing CHo5C octahedra. The corner-sharing octahedra tilt angles range from 4–85°. The C–C bond length is 1.35 Å. In the sixth C+2.25- site, C+2.25- is bonded in a 2-coordinate geometry to four equivalent Ho3+ and two equivalent C+2.25- atoms. In the seventh C+2.25- site, C+2.25- is bonded in a 6-coordinate geometry to five Ho3+ and one C+2.25- atom. The C–C bond length is 1.31 Å.