cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1718312
title: Materials Data on CsRb2CoF6 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: 10.17188/1718313
title: Materials Data on Be5(Al2Fe)2 by Materials Project

description: Be5(FeAl2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four Be, two equivalent Fe, and six Al atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Be–Be bond lengths. Both Be–Fe bond lengths are 2.26 Å. There are four shorter (2.64 Å) and two longer (2.65 Å) Be–Al bond lengths. In the second Be site, Be is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms. Both Be–Fe bond lengths are 2.23 Å. There are two shorter (2.47 Å) and two longer (2.81 Å) Be–Al bond lengths. In the third Be site, Be is bonded to four equivalent Be, two equivalent Fe, and six Al atoms to form a mixture of distorted edge, corner, and face-sharing BeBe4Al6Fe2 cuboctahedra. Both Be–Fe bond lengths are 2.24 Å. There are two shorter (2.61 Å) and four longer (2.65 Å) Be–Al bond lengths. Fe is bonded in a distorted q6 geometry to five Be and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.50–2.59 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to six Be, three equivalent Fe, and three equivalent Al atoms. There are two shorter (2.64 Å) and one longer (2.67 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to seven Be, three equivalent Fe, and four Al atoms. The Al–Al bond length is 2.99 Å.
DOI: 10.17188/1718314
title: Materials Data on Fe7(CoO6)2 by Materials Project

description: Fe7(CoO6)2 is Spinel-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Fe+2.86+ sites. In the first Fe+2.86+ site, Fe+2.86+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent CoO6 octahedra and corners with eight FeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Fe–O bond distances ranging from 1.90–1.96 Å. In the second Fe+2.86+ site, Fe+2.86+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent CoO6 octahedra and corners with eight FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. All Fe–O bond lengths are 1.94 Å. In the third Fe+2.86+ site, Fe+2.86+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six FeO4 tetrahedra, edges with two equivalent CoO6 octahedra, and edges with four FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.04–2.06 Å. In the fourth Fe+2.86+ site, Fe+2.86+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six FeO4 tetrahedra, edges with two equivalent CoO6 octahedra, and edges with four FeO6 octahedra. There are two shorter (2.05 Å) and four longer (2.06 Å) Fe–O bond lengths. In the fifth Fe+2.86+ site, Fe+2.86+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six FeO4 tetrahedra, edges with three FeO6 octahedra, and edges with three equivalent CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.05–2.16 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six FeO4 tetrahedra, an edgeedge with one CoO6 octahedra, and edges with five FeO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.13 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.86+ and one Co2+ atom. In the second O2- site, O2- is bonded to four Fe+2.86+ atoms to form distorted corner-sharing OFe4 trigonal pyramids. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.86+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Fe+2.86+ and two equivalent Co2+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.86+ and one Co2+ atom. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.86+ and one Co2+ atom.
DOI: 10.17188/1718315
title: Materials Data on Sr5Ni2BiO10 by Materials Project

description: Sr5Ni2BiO10 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with four equivalent SrO6 octahedra, and edges with four equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.40 Å) and four longer (2.67 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.73 Å. Ni+3.50+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share a cornercorner with one SrO6 octahedra, a cornercorner with one BiO6 octahedra, and corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ni–O bond distances ranging from 1.89–2.44 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with four equivalent BiO6 octahedra, and edges with four equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.20 Å) and four longer (2.67 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ni+3.50+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 7–54°. In the second O2- site, O2- is bonded to five Sr2+ and one Ni+3.50+ atom to form distorted OSr5Ni octahedra that share corners with fourteen OSr4Ni2 octahedra, edges with eight OSr4Bi2 octahedra, and faces with four equivalent OSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ni+3.50+, and one Bi3+ atom to form distorted OSr4NiBi octahedra that share corners with fourteen OSr4Ni2 octahedra, edges with eight OSr4Bi2 octahedra, and faces with four equivalent OSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. In the fourth O2- site, O2- is bonded to four Sr2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSr4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–46°.
DOI: 10.17188/1718316
title: Materials Data on KH2OsNCl4 by Materials Project

description: KOsNH2Cl4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two KOsNH2Cl4 sheets oriented in the (0, 1, 0) direction. K1+ is bonded in a 8-coordinate geometry to two H1+ and six Cl1- atoms. There are one shorter (2.91 Å) and one longer (2.94 Å) K–H bond lengths. There are a spread of K–Cl bond distances ranging from 3.27–3.41 Å. Os4+ is bonded in a 5-coordinate geometry to one N3- and four Cl1- atoms. The Os–N bond length is 1.65 Å. All Os–Cl bond lengths are 2.34 Å. N3- is bonded in a single-bond geometry to one Os4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and one Os4+ atom.
DOI: 10.17188/1718317
title: Materials Data on TbAsSe by Materials Project

description: TbAsSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Tb–As bond distances ranging from 3.08–3.18 Å. There are four shorter (2.91 Å) and one longer (3.05 Å) Tb–Se bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (3.00 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Tb3+ atoms.
DOI: 10.17188/1718318
title: Materials Data on Ac3Yb by Materials Project

description: Ac3Yb is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with twelve equivalent AcAc8Yb4 cuboctahedra, edges with eight equivalent YbAc12 cuboctahedra, edges with sixteen AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with fourteen AcAc8Yb4 cuboctahedra. There are four shorter (3.93 Å) and four longer (3.96 Å) Ac–Ac bond lengths. All Ac–Yb bond lengths are 3.96 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with four equivalent AcAc8Yb4 cuboctahedra, corners with eight equivalent YbAc12 cuboctahedra, edges with twenty-four AcAc8Yb4 cuboctahedra, faces with six equivalent YbAc12 cuboctahedra, and faces with twelve AcAc8Yb4 cuboctahedra. All Ac–Yb bond lengths are 3.93 Å. Yb is bonded to twelve Ac atoms to form YbAc12 cuboctahedra that share corners with four equivalent YbAc12 cuboctahedra, corners with eight equivalent AcAc8Yb4 cuboctahedra, edges with eight equivalent YbAc12 cuboctahedra, edges with sixteen equivalent AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with fourteen AcAc8Yb4 cuboctahedra.
DOI: 10.6084/m9.figshare.13683952
title: FastFood Facebook Mcdonalds2.sav

description: This data set was used for my honours thesis and as part of my journal article submission. This data set records observatiions of advertising posted by McDonalds Australia to Facebook during the 1st July to the 31st July 2019. The advertisments were assigned coded in relation to two catagories; being user enagement and creative advertising strategy.
DOI: 10.17188/1718319
title: Materials Data on CsMg6Mo by Materials Project

description: CsMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded to ten Mg and two equivalent Mo atoms to form a mixture of distorted face and corner-sharing CsMg10Mo2 cuboctahedra. There are a spread of Cs–Mg bond distances ranging from 3.27–3.42 Å. Both Cs–Mo bond lengths are 3.67 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs, seven Mg, and two equivalent Mo atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.38 Å. Both Mg–Mo bond lengths are 3.04 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Cs and ten Mg atoms. There are four shorter (3.22 Å) and two longer (3.25 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Cs, six Mg, and one Mo atom. Both Mg–Mg bond lengths are 3.29 Å. The Mg–Mo bond length is 2.83 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to ten Mg and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.41 Å. Mo is bonded in a 12-coordinate geometry to two equivalent Cs and eight Mg atoms.
DOI: 10.6084/m9.figshare.13683952.v1
title: FastFood Facebook Mcdonalds2.sav

description: This data set was used for my honours thesis and as part of my journal article submission. This data set records observatiions of advertising posted by McDonalds Australia to Facebook during the 1st July to the 31st July 2019. The advertisments were assigned coded in relation to two catagories; being user enagement and creative advertising strategy.
DOI: 10.17188/1718320
title: Materials Data on Ce2FeSi3 by Materials Project

description: Ce2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Fe and nine Si atoms to form a mixture of edge and face-sharing CeFe3Si9 cuboctahedra. All Ce–Fe bond lengths are 3.03 Å. There are three shorter (3.03 Å) and six longer (3.15 Å) Ce–Si bond lengths. Fe is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Fe atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Si atoms.
DOI: 10.17188/1718321
title: Materials Data on Ba6Tm2Ga4O15 by Materials Project

description: Ba6Tm2Ga4O15 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four 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 2.54–3.18 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.07 Å. In the third 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 2.70–3.11 Å. In the fourth 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 2.78–3.01 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six GaO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.20–2.37 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 8–37°. There is three shorter (1.88 Å) and one longer (1.90 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent TmO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–32°. There are a spread of Ga–O bond distances ranging from 1.82–1.89 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Tm3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Ga3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Tm3+, and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+, one Tm3+, and one Ga3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Tm3+, and one Ga3+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ga3+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Tm3+, and one Ga3+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Tm3+, and one Ga3+ atom.
DOI: 10.17188/1718322
title: Materials Data on KRb2LaCl6 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: 10.17188/1718323
title: Materials Data on Zn4CuN3 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: 10.17188/1718324
title: Materials Data on BiPtO14 by Materials Project

description: PtO2BiO12 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight BiO12 clusters and one PtO2 framework. In each BiO12 cluster, Bi is bonded in a distorted cuboctahedral geometry to twelve equivalent O atoms. All Bi–O bond lengths are 2.48 Å. O is bonded in a 3-coordinate geometry to one Bi and two equivalent O atoms. Both O–O bond lengths are 1.61 Å. In the PtO2 framework, Pt is bonded to four equivalent O atoms to form corner-sharing PtO4 tetrahedra. All Pt–O bond lengths are 2.50 Å. O is bonded in a linear geometry to two equivalent Pt atoms.
DOI: 10.17188/1718325
title: Materials Data on Fe8O9 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: 10.17188/1718326
title: Materials Data on La2Co2Se2O3 by Materials Project

description: La2O3Co2Se2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.33 Å. All La–O bond lengths are 2.39 Å. Co2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Co–Se bond lengths are 2.71 Å. Both Co–O bond lengths are 2.05 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent La3+ and four equivalent Co2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Co2+ atoms.
DOI: 10.17188/1718327
title: Materials Data on K4Th(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: 10.17188/1718328
title: Materials Data on Os3W3C2 by Materials Project

description: WOs3(WC)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one tungsten molecule and one Os3(WC)2 sheet oriented in the (0, 0, 1) direction. In the Os3(WC)2 sheet, W+4.67+ is bonded in a 3-coordinate geometry to three equivalent Os2- atoms. All W–Os bond lengths are 2.75 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 3-coordinate geometry to three equivalent W+4.67+ and three equivalent C4- atoms. All Os–C bond lengths are 2.12 Å. In the second Os2- site, Os2- is bonded to six equivalent C4- atoms to form distorted edge-sharing OsC6 octahedra. All Os–C bond lengths are 2.22 Å. C4- is bonded to six Os2- atoms to form a mixture of corner and edge-sharing COs6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1718329
title: Materials Data on GdIn2Cu9 by Materials Project

description: GdCu9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to sixteen Cu and four equivalent In atoms. There are eight shorter (3.10 Å) and eight longer (3.35 Å) Gd–Cu bond lengths. All Gd–In bond lengths are 3.34 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to eight Cu and four equivalent In atoms to form CuIn4Cu8 cuboctahedra that share corners with sixteen CuGd2In2Cu8 cuboctahedra, edges with two equivalent CuIn4Cu8 cuboctahedra, and faces with twenty CuGd2In3Cu7 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.56 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.93 Å. In the second Cu site, Cu is bonded to two equivalent Gd, eight Cu, and two equivalent In atoms to form distorted CuGd2In2Cu8 cuboctahedra that share corners with twenty CuIn4Cu8 cuboctahedra, edges with six CuGd2In3Cu7 cuboctahedra, and faces with nineteen CuIn4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.54–2.79 Å. Both Cu–In bond lengths are 2.96 Å. In the third Cu site, Cu is bonded to two equivalent Gd, seven Cu, and three equivalent In atoms to form distorted CuGd2In3Cu7 cuboctahedra that share corners with eighteen CuIn4Cu8 cuboctahedra, edges with nine CuGd2In2Cu8 cuboctahedra, and faces with twenty CuIn4Cu8 cuboctahedra. There are one shorter (2.48 Å) and one longer (2.56 Å) Cu–Cu bond lengths. There are one shorter (2.67 Å) and two longer (2.87 Å) Cu–In bond lengths. In is bonded in a 6-coordinate geometry to two equivalent Gd, twelve Cu, and one In atom. The In–In bond length is 2.97 Å.
DOI: 10.17188/1718330
title: Materials Data on La2Mn17C2 by Materials Project

description: La2Mn17C2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La is bonded in a distorted bent 120 degrees geometry to eight Mn and two equivalent C atoms. There are a spread of La–Mn bond distances ranging from 2.99–3.42 Å. Both La–C bond lengths are 2.60 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 1-coordinate geometry to one La and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.33–2.72 Å. In the second Mn site, Mn is bonded to two equivalent La and ten Mn atoms to form distorted MnLa2Mn10 cuboctahedra that share corners with four MnLa2Mn10 cuboctahedra, corners with four equivalent CLa2Mn4 octahedra, edges with three MnLa2Mn10 cuboctahedra, edges with two equivalent CLa2Mn4 octahedra, and faces with three MnLa2Mn10 cuboctahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are a spread of Mn–Mn bond distances ranging from 2.40–2.78 Å. In the third Mn site, Mn is bonded in a single-bond geometry to six Mn and one C atom. There are a spread of Mn–Mn bond distances ranging from 2.43–2.57 Å. The Mn–C bond length is 1.90 Å. In the fourth Mn site, Mn is bonded in a single-bond geometry to five Mn and one C atom. There are two shorter (2.43 Å) and one longer (2.73 Å) Mn–Mn bond lengths. The Mn–C bond length is 1.90 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three equivalent La and nine Mn atoms. Both Mn–Mn bond lengths are 2.47 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to ten Mn atoms. In the seventh Mn site, Mn is bonded to two equivalent La and ten Mn atoms to form distorted MnLa2Mn10 cuboctahedra that share corners with four MnLa2Mn10 cuboctahedra, corners with two equivalent CLa2Mn4 octahedra, edges with two equivalent MnLa2Mn10 cuboctahedra, faces with four MnLa2Mn10 cuboctahedra, and faces with two equivalent CLa2Mn4 octahedra. The corner-sharing octahedral tilt angles are 49°. C is bonded to two equivalent La and four Mn atoms to form CLa2Mn4 octahedra that share corners with six MnLa2Mn10 cuboctahedra, corners with two equivalent CLa2Mn4 octahedra, edges with two equivalent MnLa2Mn10 cuboctahedra, and faces with two equivalent MnLa2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles are 64°.