cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1749672
title: Materials Data on CeMg6Ni by Materials Project

description: Mg6CeNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to eight Mg, two equivalent Ce, and one Ni atom. There are a spread of Mg–Mg bond distances ranging from 2.90–3.35 Å. Both Mg–Ce bond lengths are 3.28 Å. The Mg–Ni bond length is 3.07 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ni atoms. There are two shorter (3.06 Å) and four longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Ni bond lengths are 3.15 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, two equivalent Ce, and two equivalent Ni atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.21 Å. There are one shorter (3.10 Å) and one longer (3.53 Å) Mg–Ce bond lengths. Both Mg–Ni bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. Both Mg–Ce bond lengths are 3.17 Å. Ce is bonded in a 2-coordinate geometry to ten Mg and two equivalent Ni atoms. Both Ce–Ni bond lengths are 2.92 Å. Ni is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ce atoms.
DOI: 10.17188/1749674
title: Materials Data on Y2CuPt by Materials Project

description: Y2PtCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Cu atoms. All Y–Pt bond lengths are 3.02 Å. All Y–Cu bond lengths are 3.02 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Y atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1749675
title: Materials Data on TiRe2Mo by Materials Project

description: TiMoRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to six equivalent Mo and eight equivalent Re atoms. All Ti–Mo bond lengths are 3.13 Å. All Ti–Re bond lengths are 2.71 Å. Mo is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Re atoms. All Mo–Re bond lengths are 2.71 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Mo atoms.
DOI: 10.17188/1749676
title: Materials Data on Li5Fe2P2(CO7)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: 10.17188/1749677
title: Materials Data on Tl2Te(PO7)2 by Materials Project

description: Tl2Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl is bonded to five O atoms to form distorted TlO5 trigonal bipyramids that share corners with two equivalent TeO6 octahedra and corners with three equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Tl–O bond distances ranging from 2.16–2.28 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent TlO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.79 Å. Te is bonded to six O atoms to form TeO6 octahedra that share corners with four equivalent TlO5 trigonal bipyramids. There are four shorter (1.90 Å) and two longer (2.24 Å) Te–O bond lengths. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Tl and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Tl and one Te atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Te and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one P and one O atom. In the sixth O site, O is bonded in a distorted linear geometry to one Tl and one P atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Tl and one P atom.
DOI: 10.17188/1749678
title: Materials Data on HoNiSn2 by Materials Project

description: HoNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Ho–Ni bond distances ranging from 3.27–3.50 Å. There are a spread of Ho–Sn bond distances ranging from 3.11–3.19 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Ho–Ni bond lengths are 3.05 Å. There are a spread of Ho–Sn bond distances ranging from 3.14–3.51 Å. In the third Ho site, Ho is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.14 Å) and two longer (3.22 Å) Ho–Ni bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.13–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.79 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Ho and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Ho and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Ho and one Ni atom.
DOI: 10.17188/1749679
title: Materials Data on K2TaHgF6 by Materials Project

description: (K)2TaHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TaHgF6 framework. In the TaHgF6 framework, Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.99 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.95 Å. F1- is bonded in a distorted single-bond geometry to one Ta3+ and one Hg1+ atom.
DOI: 10.17188/1749680
title: Materials Data on Eu2CdGa by Materials Project

description: Eu2CdGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Ga atoms. All Eu–Cd bond lengths are 3.34 Å. All Eu–Ga bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1749681
title: Materials Data on LiMg2Cd by Materials Project

description: LiMg2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiMg2Cd ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Mg atoms. Both Li–Mg bond lengths are 2.99 Å. Mg is bonded in a linear geometry to one Li and one Cd atom. The Mg–Cd bond length is 3.02 Å. Cd is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1749682
title: Materials Data on Li6Nb3Fe3O16 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: 10.17188/1749683
title: Materials Data on NaNi2BiO6 by Materials Project

description: NaNi2BiO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.25 Å) and three longer (2.51 Å) Na–O bond lengths. There are two inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.92 Å) and three longer (1.95 Å) Ni–O bond length. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.93 Å) and three longer (1.96 Å) Ni–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.23 Å) and three longer (2.28 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom.
DOI: 10.17188/1749684
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: 10.17188/1749685
title: Materials Data on Ca5Ga3 by Materials Project

description: Ca5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Ga atoms. All Ca–Ga bond lengths are 3.22 Å. In the second Ca site, Ca is bonded to five Ga atoms to form a mixture of distorted corner, edge, and face-sharing CaGa5 trigonal bipyramids. There are a spread of Ca–Ga bond distances ranging from 3.18–3.33 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ca and one Ga atom. The Ga–Ga bond length is 2.50 Å.
DOI: 10.17188/1749686
title: Materials Data on I(NO3)2 by Materials Project

description: I(NO3)2 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three I(NO3)2 sheets oriented in the (0, 0, 1) direction. N is bonded in a trigonal planar geometry to three equivalent O atoms. All N–O bond lengths are 1.27 Å. O is bonded in a distorted single-bond geometry to one N and one I atom. The O–I bond length is 2.54 Å. I is bonded in an octahedral geometry to six equivalent O atoms.
DOI: 10.17188/1749687
title: Materials Data on Lu2Co3Si5 by Materials Project

description: Lu2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.81–3.07 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.33 Å) and two longer (2.55 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.22–2.31 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Co2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Lu3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.74 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Co2+, and two equivalent Si+2.40- atoms.
DOI: 10.17188/1749688
title: Materials Data on Np3OF12 by Materials Project

description: Np3OF12 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Np+4.67+ sites. In the first Np+4.67+ site, Np+4.67+ is bonded in a 1-coordinate geometry to one O2- and seven F1- atoms. The Np–O bond length is 1.80 Å. There are a spread of Np–F bond distances ranging from 2.22–2.35 Å. In the second Np+4.67+ site, Np+4.67+ is bonded in a 1-coordinate geometry to one O2- and seven F1- atoms. The Np–O bond length is 1.79 Å. There are a spread of Np–F bond distances ranging from 2.20–2.39 Å. In the third Np+4.67+ site, Np+4.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.21–2.46 Å. In the fourth Np+4.67+ site, Np+4.67+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Np–F bond distances ranging from 2.18–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np+4.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np+4.67+ atom. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Np+4.67+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Np+4.67+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Np+4.67+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Np+4.67+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Np+4.67+ atoms. In the sixth F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Np+4.67+ atoms. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+4.67+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+4.67+ atoms. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to two Np+4.67+ atoms. In the tenth F1- site, F1- is bonded in a linear geometry to two Np+4.67+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+4.67+ atoms. In the twelfth F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+4.67+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Np+4.67+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted linear geometry to two Np+4.67+ atoms.
DOI: 10.17188/1749689
title: Materials Data on K2Se2N by Materials Project

description: (KSe)4N2 is alpha boron-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four ammonia molecules and one KSe framework. In the KSe framework, K1+ is bonded in a 6-coordinate geometry to six equivalent Se+1.50- atoms. There are a spread of K–Se bond distances ranging from 3.39–3.48 Å. Se+1.50- is bonded in a 7-coordinate geometry to six equivalent K1+ and one Se+1.50- atom. The Se–Se bond length is 2.40 Å.
DOI: 10.17188/1749690
title: Materials Data on RhN3Cl6O by Materials Project

description: RhOCl2(NCl)2NCl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight chloramine molecules, four dichloramine molecules, and four RhOCl2 clusters. In each RhOCl2 cluster, Rh3+ is bonded in a trigonal planar geometry to one O2- and two equivalent Cl1- atoms. The Rh–O bond length is 1.69 Å. Both Rh–Cl bond lengths are 2.19 Å. O2- is bonded in a single-bond geometry to one Rh3+ atom. Cl1- is bonded in a single-bond geometry to one Rh3+ atom.
DOI: 10.17188/1749692
title: Materials Data on Li2FePCO7 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: 10.17188/1749693
title: Materials Data on Sn3P by Materials Project

description: Sn3P is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn is bonded in a 12-coordinate geometry to eight equivalent Sn and four equivalent P atoms. All Sn–Sn bond lengths are 3.28 Å. All Sn–P bond lengths are 3.28 Å. P is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms.
DOI: 10.17188/1749694
title: Materials Data on Ti2H2Pd by Materials Project

description: Ti2PdH2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to four equivalent Pd and five equivalent H atoms to form distorted TiH5Pd4 square pyramids that share corners with four equivalent TiH5Pd4 square pyramids, corners with eight equivalent HTi5Pd square pyramids, edges with twelve equivalent TiH5Pd4 square pyramids, and faces with five equivalent TiH5Pd4 square pyramids. All Ti–Pd bond lengths are 2.84 Å. There is one shorter (1.93 Å) and four longer (2.05 Å) Ti–H bond length. Pd is bonded in a 10-coordinate geometry to eight equivalent Ti, four equivalent Pd, and two equivalent H atoms. All Pd–Pd bond lengths are 2.86 Å. Both Pd–H bond lengths are 2.33 Å. H is bonded to five equivalent Ti and one Pd atom to form distorted HTi5Pd square pyramids that share corners with five equivalent HTi5Pd square pyramids, corners with eight equivalent TiH5Pd4 square pyramids, and edges with eight equivalent HTi5Pd square pyramids.
DOI: 10.17188/1749695
title: Materials Data on V2P5O16 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: 10.17188/1749696
title: Materials Data on Cs2PrAgF6 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: 10.17188/1749697
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.03 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.90 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.13 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.04 Å. In the fifth Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–2.96 Å. In the sixth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.09 Å. In the seventh Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.02 Å. In the eighth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.02 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.64 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.38 Å) and two longer (2.41 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom. In the fourth Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. In the fifth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. The Si–Si bond length is 2.73 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom.
DOI: 10.17188/1749700
title: Materials Data on Mn20Si12C by Materials Project

description: Mn20Si12C crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Mn+2.10+ sites. In the first Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.44 Å. In the second Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. Both Mn–Mn bond lengths are 2.40 Å. There are a spread of Mn–Si bond distances ranging from 2.42–2.45 Å. In the third Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are a spread of Mn–Si bond distances ranging from 2.39–2.41 Å. In the fourth Mn+2.10+ site, Mn+2.10+ is bonded in a 8-coordinate geometry to two equivalent Mn+2.10+ and six Si+3.33- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Mn–Si bond lengths. In the fifth Mn+2.10+ site, Mn+2.10+ is bonded to five Si+3.33- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.40–2.63 Å. In the sixth Mn+2.10+ site, Mn+2.10+ is bonded in a distorted single-bond geometry to five Si+3.33- and one C2- atom. There are a spread of Mn–Si bond distances ranging from 2.40–2.67 Å. The Mn–C bond length is 2.00 Å. In the seventh Mn+2.10+ site, Mn+2.10+ is bonded to five Si+3.33- atoms to form a mixture of distorted edge and corner-sharing MnSi5 trigonal bipyramids. There are a spread of Mn–Si bond distances ranging from 2.39–2.62 Å. In the eighth Mn+2.10+ site, Mn+2.10+ is bonded in a distorted single-bond geometry to five Si+3.33- and one C2- atom. There are a spread of Mn–Si bond distances ranging from 2.40–2.66 Å. The Mn–C bond length is 2.00 Å. There are four inequivalent Si+3.33- sites. In the first Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the second Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the third Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. In the fourth Si+3.33- site, Si+3.33- is bonded in a 9-coordinate geometry to nine Mn+2.10+ atoms. C2- is bonded in an octahedral geometry to six Mn+2.10+ atoms.