cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758083
title: Materials Data on LiNi3O4 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: 10.17188/1758084
title: Materials Data on La3NdCr4O12 by Materials Project

description: NdLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.81 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.82 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.84 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.86 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–28°. There are five shorter (2.02 Å) and one longer (2.03 Å) Cr–O bond lengths. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Cr–O bond distances ranging from 2.01–2.03 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Cr3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Cr3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Cr3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Cr3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+, one La3+, and two equivalent Cr3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+, one La3+, and two equivalent Cr3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Cr3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1758086
title: Materials Data on CaF3 by Materials Project

description: CaF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded to twelve F atoms to form a mixture of face, edge, and corner-sharing CaF12 cuboctahedra. There are eight shorter (2.49 Å) and four longer (2.69 Å) Ca–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded to four equivalent Ca atoms to form a mixture of edge and corner-sharing FCa4 tetrahedra. In the second F site, F is bonded in a square co-planar geometry to four equivalent Ca atoms.
DOI: 10.17188/1758087
title: Materials Data on Ca5Mn4O9 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: 10.17188/1758088
title: Materials Data on NaLi2Hg by Materials Project

description: NaLi2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaLi2Hg ribbons oriented in the (0, 1, 0) direction. Na is bonded in a linear geometry to two equivalent Li atoms. Both Na–Li bond lengths are 3.13 Å. Li is bonded in a distorted linear geometry to one Na and one Hg atom. The Li–Hg bond length is 2.83 Å. Hg is bonded in a linear geometry to two equivalent Li atoms.
DOI: 10.17188/1758089
title: Materials Data on MgZr by Materials Project

description: ZrMg is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Zr atoms to form MgMg4Zr8 cuboctahedra that share corners with eight equivalent ZrMg8Zr4 cuboctahedra, corners with ten equivalent MgMg4Zr8 cuboctahedra, edges with six equivalent MgMg4Zr8 cuboctahedra, edges with twelve equivalent ZrMg8Zr4 cuboctahedra, faces with eight equivalent ZrMg8Zr4 cuboctahedra, and faces with twelve equivalent MgMg4Zr8 cuboctahedra. There are two shorter (3.24 Å) and two longer (3.27 Å) Mg–Mg bond lengths. There are six shorter (3.10 Å) and two longer (3.14 Å) Mg–Zr bond lengths. Zr is bonded to eight equivalent Mg and four equivalent Zr atoms to form ZrMg8Zr4 cuboctahedra that share corners with eight equivalent MgMg4Zr8 cuboctahedra, corners with ten equivalent ZrMg8Zr4 cuboctahedra, edges with six equivalent ZrMg8Zr4 cuboctahedra, edges with twelve equivalent MgMg4Zr8 cuboctahedra, faces with eight equivalent MgMg4Zr8 cuboctahedra, and faces with twelve equivalent ZrMg8Zr4 cuboctahedra. There are two shorter (3.27 Å) and two longer (3.28 Å) Zr–Zr bond lengths.
DOI: 10.17188/1758090
title: Materials Data on CeMg6Si by Materials Project

description: Mg6CeSi 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 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.41 Å. There are one shorter (3.21 Å) and one longer (3.41 Å) Mg–Ce bond lengths. Both Mg–Si bond lengths are 3.14 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with four equivalent CeMg10Si2 cuboctahedra, corners with six equivalent MgCe2Mg10 cuboctahedra, edges with two equivalent CeMg10Si2 cuboctahedra, edges with four equivalent MgMg10Si2 cuboctahedra, faces with two equivalent CeMg10Si2 cuboctahedra, and faces with four MgCe2Mg10 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.13 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ce, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.08–3.48 Å. Both Mg–Ce bond lengths are 3.25 Å. The Mg–Si bond length is 3.23 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Si atoms to form distorted MgMg10Si2 cuboctahedra that share corners with six equivalent MgMg10Si2 cuboctahedra, edges with four equivalent MgCe2Mg10 cuboctahedra, faces with four MgCe2Mg10 cuboctahedra, and faces with six equivalent CeMg10Si2 cuboctahedra. Both Mg–Si bond lengths are 3.28 Å. Ce is bonded to ten Mg and two equivalent Si atoms to form distorted CeMg10Si2 cuboctahedra that share corners with four equivalent MgCe2Mg10 cuboctahedra, corners with six equivalent CeMg10Si2 cuboctahedra, edges with two equivalent MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Si2 cuboctahedra, and faces with eight MgCe2Mg10 cuboctahedra. Both Ce–Si bond lengths are 3.00 Å. Si is bonded in a 2-coordinate geometry to eight Mg and two equivalent Ce atoms.
DOI: 10.17188/1758091
title: Materials Data on Cs2Ca(Cl2O)2 by Materials Project

description: Cs2Ca(OCl2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. There are one shorter (3.26 Å) and one longer (3.51 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.45–3.97 Å. Ca is bonded in an octahedral geometry to two equivalent O and four Cl atoms. Both Ca–O bond lengths are 2.32 Å. There are two shorter (2.72 Å) and two longer (2.90 Å) Ca–Cl bond lengths. O is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, one Ca, and one Cl atom. The O–Cl bond length is 1.67 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to three equivalent Cs, one Ca, and one O atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent Cs and one Ca atom.
DOI: 10.17188/1758092
title: Materials Data on Ba3Sm by Materials Project

description: Ba3Sm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Sm atoms to form BaBa8Sm4 cuboctahedra that share corners with twelve equivalent BaBa8Sm4 cuboctahedra, edges with eight equivalent SmBa12 cuboctahedra, edges with sixteen equivalent BaBa8Sm4 cuboctahedra, faces with four equivalent SmBa12 cuboctahedra, and faces with fourteen equivalent BaBa8Sm4 cuboctahedra. All Ba–Ba bond lengths are 4.22 Å. All Ba–Sm bond lengths are 4.22 Å. Sm is bonded to twelve equivalent Ba atoms to form SmBa12 cuboctahedra that share corners with twelve equivalent SmBa12 cuboctahedra, edges with twenty-four equivalent BaBa8Sm4 cuboctahedra, faces with six equivalent SmBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sm4 cuboctahedra.
DOI: 10.17188/1758093
title: Materials Data on Sm12InCo6 by Materials Project

description: Sm12Co6In crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sm is bonded in a 3-coordinate geometry to three equivalent Co and one In atom. There are one shorter (2.74 Å) and two longer (2.91 Å) Sm–Co bond lengths. The Sm–In bond length is 3.57 Å. Co is bonded in a 2-coordinate geometry to six equivalent Sm and one Co atom. The Co–Co bond length is 2.21 Å. In is bonded in a cuboctahedral geometry to twelve equivalent Sm atoms.
DOI: 10.17188/1758094
title: Materials Data on LiFe2(PO4)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: 10.17188/1758095
title: Materials Data on Cr2Se3 by Materials Project

description: Cr2Se3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Cr–Se bond distances ranging from 2.46–2.65 Å. In the second Cr3+ site, Cr3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Cr–Se bond distances ranging from 2.46–2.64 Å. In the third Cr3+ site, Cr3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Cr–Se bond distances ranging from 2.47–2.61 Å. In the fourth Cr3+ site, Cr3+ is bonded to six Se2- atoms to form a mixture of corner, edge, and face-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of Cr–Se bond distances ranging from 2.54–2.63 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Cr3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Cr3+ atoms. In the third Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Cr3+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Cr3+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Cr3+ atoms. In the sixth Se2- site, Se2- is bonded to five Cr3+ atoms to form distorted edge-sharing SeCr5 square pyramids.
DOI: 10.17188/1758096
title: Materials Data on LiV2CrO6 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: 10.17188/1758098
title: Materials Data on LiVP4(H2O7)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: 10.17188/1758099
title: Materials Data on UCd(MoO4)4 by Materials Project

description: UCd(MoO4)4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent CdO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.41 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.41 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.41 Å. Cd2+ is bonded to seven O2- atoms to form CdO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.31–2.46 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Cd2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Cd2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Mo6+ and one Cd2+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Mo6+ atom.
DOI: 10.17188/1758100
title: Materials Data on LaSbPt by Materials Project

description: LaPtSb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 2-coordinate geometry to six equivalent Pt2- and four equivalent Sb1- atoms. There are a spread of La–Pt bond distances ranging from 2.93–3.48 Å. There are a spread of La–Sb bond distances ranging from 3.42–3.52 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent La3+ and three equivalent Pt2- atoms. There are two shorter (2.74 Å) and one longer (2.89 Å) Pt–Pt bond lengths. Sb1- is bonded to four equivalent La3+ and three equivalent Sb1- atoms to form distorted edge-sharing SbLa4Sb3 pentagonal bipyramids. There are two shorter (2.84 Å) and one longer (3.07 Å) Sb–Sb bond lengths.
DOI: 10.17188/1758102
title: Materials Data on Li7V3P8O29 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: 10.17188/1758103
title: Materials Data on TiVO4 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: 10.17188/1758104
title: Materials Data on La2AgSb3 by Materials Project

description: (LaSb)2AgSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one silver molecule, and two LaSb clusters. In each LaSb cluster, La3+ is bonded in a single-bond geometry to one Sb+2.33- atom. The La–Sb bond length is 2.70 Å. Sb+2.33- is bonded in a single-bond geometry to one La3+ atom.
DOI: 10.17188/1758105
title: Materials Data on HoPt by Materials Project

description: HoPt is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.86–3.02 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Ho atoms.
DOI: 10.17188/1758106
title: Materials Data on Li4Mn3Cr2Sn3O16 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: 10.17188/1758107
title: Materials Data on FeAsNO4F by Materials Project

description: (Fe2As2O7F2)2N2(NO)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four ammonia molecules, four nitroxyl molecules, and one Fe2As2O7F2 framework. In the Fe2As2O7F2 framework, there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to three O2- and two F1- atoms to form FeO3F2 trigonal bipyramids that share corners with two equivalent FeO4F2 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of Fe–O bond distances ranging from 1.91–2.03 Å. There is one shorter (1.91 Å) and one longer (1.98 Å) Fe–F bond length. In the second Fe3+ site, Fe3+ is bonded to four O2- and two F1- atoms to form FeO4F2 octahedra that share corners with two equivalent AsO4 tetrahedra and corners with two equivalent FeO3F2 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.96–2.09 Å. There is one shorter (1.97 Å) and one longer (2.01 Å) Fe–F bond length. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent FeO4F2 octahedra and corners with two equivalent FeO3F2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 48–51°. There is three shorter (1.72 Å) and one longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.67–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one As5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Fe3+ atoms.
DOI: 10.17188/1758108
title: Materials Data on LiVCrP2(O4F)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: 10.17188/1758109
title: Materials Data on Na2MnSb2 by Materials Project

description: Na2MnSb2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Na2MnSb2 cluster. Na1+ is bonded in a single-bond geometry to one Sb2- atom. The Na–Sb bond length is 2.97 Å. Mn2+ is bonded in a linear geometry to two equivalent Sb2- atoms. Both Mn–Sb bond lengths are 2.51 Å. Sb2- is bonded in a linear geometry to one Na1+ and one Mn2+ atom.
DOI: 10.17188/1758112
title: Materials Data on TmTlSe2 by Materials Project

description: TmTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Se2- atoms to form TmSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent TmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tm–Se bond lengths are 2.86 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent TmSe6 octahedra, edges with six equivalent TmSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Tl–Se bond lengths are 3.34 Å. Se2- is bonded to three equivalent Tm3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SeTm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1758113
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Ce–Se bond distances ranging from 2.70–3.05 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to four equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1758114
title: Materials Data on Rb3Mn by Materials Project

description: Rb3Mn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing RbRb4Mn4 tetrahedra. All Rb–Rb bond lengths are 4.24 Å. All Rb–Mn bond lengths are 4.24 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.