cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314656
title: Materials Data on KPtO3 by Materials Project

description: KPtO3 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 PtO6 octahedra. All K–O bond lengths are 2.86 Å. Pt5+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent PtO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.02 Å. O2- is bonded to four equivalent K1+ and two equivalent Pt5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1314657
title: Materials Data on Rb3Os by Materials Project

description: Rb3Os 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 Os atoms to form a mixture of distorted edge, face, and corner-sharing RbRb4Os4 tetrahedra. All Rb–Rb bond lengths are 3.77 Å. All Rb–Os bond lengths are 3.77 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight equivalent Rb and six equivalent Os atoms. All Rb–Os bond lengths are 4.36 Å. Os is bonded in a body-centered cubic geometry to fourteen Rb atoms.
DOI: 10.17188/1314658
title: Materials Data on Rb3Os by Materials Project

description: Rb3Os is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm 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 Os atoms to form distorted RbRb4Os4 tetrahedra that share corners with eight equivalent RbRb8Os4 cuboctahedra, corners with eight equivalent RbRb4Os4 tetrahedra, edges with four equivalent RbRb8Os4 cuboctahedra, edges with twelve equivalent RbRb4Os4 tetrahedra, and faces with six equivalent RbRb4Os4 tetrahedra. All Rb–Rb bond lengths are 3.82 Å. All Rb–Os bond lengths are 3.82 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Os atoms to form RbRb8Os4 cuboctahedra that share corners with four equivalent RbRb8Os4 cuboctahedra, corners with sixteen equivalent RbRb4Os4 tetrahedra, edges with eight equivalent RbRb8Os4 cuboctahedra, edges with eight equivalent RbRb4Os4 tetrahedra, and faces with four equivalent RbRb8Os4 cuboctahedra. All Rb–Os bond lengths are 4.26 Å. Os is bonded in a distorted body-centered cubic geometry to twelve Rb atoms.
DOI: 10.17188/1314659
title: Materials Data on Rb3Nd by Materials Project

description: Rb3Nd 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 in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Nd atoms. All Rb–Rb bond lengths are 4.47 Å. All Rb–Nd bond lengths are 4.47 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Nd is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314660
title: Materials Data on Rb3Re by Materials Project

description: Rb3Re is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent Re atoms. All Rb–Rb bond lengths are 4.11 Å. All Rb–Re bond lengths are 4.11 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Re atoms to form distorted RbRb8Re4 cuboctahedra that share corners with four equivalent RbRb8Re4 cuboctahedra, corners with eight equivalent ReRb12 cuboctahedra, edges with eight equivalent RbRb8Re4 cuboctahedra, faces with four equivalent RbRb8Re4 cuboctahedra, and faces with six equivalent ReRb12 cuboctahedra. All Rb–Re bond lengths are 4.27 Å. Re is bonded to twelve Rb atoms to form ReRb12 cuboctahedra that share corners with four equivalent ReRb12 cuboctahedra, corners with eight equivalent RbRb8Re4 cuboctahedra, edges with eight equivalent ReRb12 cuboctahedra, faces with four equivalent ReRb12 cuboctahedra, and faces with six equivalent RbRb8Re4 cuboctahedra.
DOI: 10.17188/1314661
title: Materials Data on Mn2Co2O5 by Materials Project

description: Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1314662
title: Materials Data on Rb3Na by Materials Project

description: Rb3Na is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Rb atoms. There are four shorter (4.64 Å) and four longer (4.77 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Na atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Na4 cuboctahedra. All Rb–Na bond lengths are 4.64 Å. Na is bonded in a distorted square co-planar geometry to four equivalent Rb atoms.
DOI: 10.17188/1314663
title: Materials Data on NdY3 by Materials Project

description: NdY3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Y atoms to form NdY12 cuboctahedra that share corners with twelve equivalent NdY12 cuboctahedra, edges with twenty-four equivalent YNd4Y8 cuboctahedra, faces with six equivalent NdY12 cuboctahedra, and faces with twelve equivalent YNd4Y8 cuboctahedra. All Nd–Y bond lengths are 3.61 Å. Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen equivalent YNd4Y8 cuboctahedra. All Y–Y bond lengths are 3.61 Å.
DOI: 10.17188/1314664
title: Materials Data on Rb3Na by Materials Project

description: (Rb)3Na is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one sodium molecule and one Rb framework. In the Rb framework, Rb is bonded in a 8-coordinate geometry to eight equivalent Rb atoms. All Rb–Rb bond lengths are 4.72 Å.
DOI: 10.17188/1314665
title: Materials Data on Rb3Nb by Materials Project

description: Rb3Nb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent Nb atoms. All Rb–Rb bond lengths are 4.23 Å. All Rb–Nb bond lengths are 4.23 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Nb atoms to form RbRb8Nb4 cuboctahedra that share corners with four equivalent RbRb8Nb4 cuboctahedra, corners with eight equivalent NbRb12 cuboctahedra, edges with eight equivalent RbRb8Nb4 cuboctahedra, faces with four equivalent RbRb8Nb4 cuboctahedra, and faces with six equivalent NbRb12 cuboctahedra. All Rb–Nb bond lengths are 4.44 Å. Nb is bonded to twelve Rb atoms to form NbRb12 cuboctahedra that share corners with four equivalent NbRb12 cuboctahedra, corners with eight equivalent RbRb8Nb4 cuboctahedra, edges with eight equivalent NbRb12 cuboctahedra, faces with four equivalent NbRb12 cuboctahedra, and faces with six equivalent RbRb8Nb4 cuboctahedra.
DOI: 10.17188/1314666
title: Materials Data on Rb3Mo by Materials Project

description: Rb3Mo is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent Rb and four equivalent Mo atoms. All Rb–Rb bond lengths are 4.30 Å. All Rb–Mo bond lengths are 4.30 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Mo atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Mo4 cuboctahedra. All Rb–Mo bond lengths are 4.55 Å. Mo is bonded in a distorted body-centered cubic geometry to twelve Rb atoms.
DOI: 10.17188/1314667
title: Materials Data on Rb3Na by Materials Project

description: Rb3Na 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 in a body-centered cubic geometry to four equivalent Rb and four equivalent Na atoms. All Rb–Rb bond lengths are 4.57 Å. All Rb–Na bond lengths are 4.57 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Na is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314668
title: Materials Data on LiNdSn2 by Materials Project

description: LiNdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Nd and five Sn atoms. All Li–Nd bond lengths are 3.47 Å. There are a spread of Li–Sn bond distances ranging from 2.53–2.68 Å. Nd is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.42–3.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and four equivalent Nd atoms to form a mixture of distorted edge and face-sharing SnLi4Nd4 tetrahedra. In the second Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Nd atoms.
DOI: 10.17188/1314669
title: Materials Data on Sr(BO2)2 by Materials Project

description: SrB2O4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Sr2+ is bonded to eight O2- atoms to form distorted edge-sharing SrO8 hexagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.55–2.78 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one B3+ atom.
DOI: 10.17188/1314670
title: Materials Data on MnSn3 by Materials Project

description: MnSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Sn atoms to form MnSn12 cuboctahedra that share corners with six equivalent MnSn12 cuboctahedra, corners with twelve equivalent SnMn4Sn8 cuboctahedra, edges with eighteen equivalent SnMn4Sn8 cuboctahedra, faces with eight equivalent MnSn12 cuboctahedra, and faces with twelve equivalent SnMn4Sn8 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.28 Å) Mn–Sn bond lengths. Sn is bonded to four equivalent Mn and eight equivalent Sn atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent MnSn12 cuboctahedra, corners with fourteen equivalent SnMn4Sn8 cuboctahedra, edges with six equivalent MnSn12 cuboctahedra, edges with twelve equivalent SnMn4Sn8 cuboctahedra, faces with four equivalent MnSn12 cuboctahedra, and faces with sixteen equivalent SnMn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.14–3.33 Å.
DOI: 10.17188/1314671
title: Materials Data on Na by Materials Project

description: Na is Copper structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve equivalent Na atoms to form a mixture of face, edge, and corner-sharing NaNa12 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.78 Å) Na–Na bond lengths.
DOI: 10.17188/1314672
title: Materials Data on NdY3 by Materials Project

description: NdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded to twelve Y atoms to form NdY12 cuboctahedra that share corners with four equivalent NdY12 cuboctahedra, corners with eight equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Nd–Y bond lengths are 3.61 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Nd and eight Y atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Y–Y bond lengths are 3.61 Å. In the second Y site, Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent YNd4Y8 cuboctahedra, corners with eight equivalent NdY12 cuboctahedra, edges with twenty-four YNd4Y8 cuboctahedra, faces with six equivalent NdY12 cuboctahedra, and faces with twelve YNd4Y8 cuboctahedra.
DOI: 10.17188/1314673
title: Materials Data on Rb3Mo by Materials Project

description: Rb3Mo 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 Mo atoms to form a mixture of distorted edge, face, and corner-sharing RbRb4Mo4 tetrahedra. All Rb–Rb bond lengths are 4.23 Å. All Rb–Mo bond lengths are 4.23 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Mo is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314674
title: Materials Data on Rb3Li by Materials Project

description: (Rb)3Li is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one Rb framework. In the Rb framework, Rb is bonded in a 8-coordinate geometry to eight equivalent Rb atoms. All Rb–Rb bond lengths are 4.63 Å.
DOI: 10.17188/1314675
title: Materials Data on Rb3Mg by Materials Project

description: (Rb)3Mg crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two magnesium molecules and one Rb framework. In the Rb framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Rb atoms. All Rb–Rb bond lengths are 4.47 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb atoms.
DOI: 10.17188/1314676
title: Materials Data on HfZrTc2 by Materials Project

description: HfZrTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Hf–Tc bond lengths are 2.84 Å. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Zr–Tc bond lengths are 2.84 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Hf4+ and four equivalent Zr2+ atoms.
DOI: 10.17188/1314677
title: Materials Data on Rb3In by Materials Project

description: Rb3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent In atoms to form distorted RbRb8In4 cuboctahedra that share corners with twelve equivalent RbRb8In4 cuboctahedra, edges with eight equivalent InRb12 cuboctahedra, edges with sixteen equivalent RbRb8In4 cuboctahedra, faces with four equivalent InRb12 cuboctahedra, and faces with fourteen equivalent RbRb8In4 cuboctahedra. All Rb–Rb bond lengths are 4.38 Å. All Rb–In bond lengths are 4.38 Å. In is bonded to twelve equivalent Rb atoms to form distorted InRb12 cuboctahedra that share corners with twelve equivalent InRb12 cuboctahedra, edges with twenty-four equivalent RbRb8In4 cuboctahedra, faces with six equivalent InRb12 cuboctahedra, and faces with twelve equivalent RbRb8In4 cuboctahedra.
DOI: 10.17188/1314678
title: Materials Data on Rb3Ir by Materials Project

description: Rb3Ir is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to four Rb and four Ir atoms to form a mixture of distorted edge, face, and corner-sharing RbRb4Ir4 tetrahedra. All Rb–Rb bond lengths are 3.61 Å. All Rb–Ir bond lengths are 3.61 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and six Ir atoms. There are four shorter (4.13 Å) and two longer (4.24 Å) Rb–Ir bond lengths. In the third Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and six Ir atoms. There are four shorter (4.13 Å) and two longer (4.24 Å) Rb–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to fourteen Rb atoms. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to fourteen Rb atoms.
DOI: 10.17188/1314679
title: Materials Data on Rb3Li by Materials Project

description: (Rb)3Li is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four lithium molecules and one Rb framework. In the Rb framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb atoms to form a mixture of distorted edge and corner-sharing RbRb4 tetrahedra. All Rb–Rb bond lengths are 4.46 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314680
title: Materials Data on Rb3Hg by Materials Project

description: (Rb)3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one mercury molecule and three rubidium molecules.
DOI: 10.17188/1314681
title: Materials Data on Rb3Li by Materials Project

description: (Rb)3Li crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two lithium molecules and one Rb framework. In the Rb framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Rb atoms. There are four shorter (4.61 Å) and four longer (4.64 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314682
title: Materials Data on Rb3Ho by Materials Project

description: Rb3Ho 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 in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Ho atoms. All Rb–Rb bond lengths are 4.43 Å. All Rb–Ho bond lengths are 4.43 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Ho is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1314683
title: Materials Data on Rb3Lu by Materials Project

description: Rb3Lu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with twelve equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra. There are four shorter (4.49 Å) and four longer (4.57 Å) Rb–Rb bond lengths. All Rb–Lu bond lengths are 4.57 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Lu atoms to form distorted RbRb8Lu4 cuboctahedra that share corners with four equivalent RbRb8Lu4 cuboctahedra, corners with eight equivalent LuRb12 cuboctahedra, edges with twenty-four RbRb8Lu4 cuboctahedra, faces with six equivalent LuRb12 cuboctahedra, and faces with twelve RbRb8Lu4 cuboctahedra. All Rb–Lu bond lengths are 4.49 Å. Lu is bonded to twelve Rb atoms to form LuRb12 cuboctahedra that share corners with four equivalent LuRb12 cuboctahedra, corners with eight equivalent RbRb8Lu4 cuboctahedra, edges with eight equivalent LuRb12 cuboctahedra, edges with sixteen equivalent RbRb8Lu4 cuboctahedra, faces with four equivalent LuRb12 cuboctahedra, and faces with fourteen RbRb8Lu4 cuboctahedra.
DOI: 10.17188/1314684
title: Materials Data on Rb3Mn by Materials Project

description: Rb3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Mn4 cuboctahedra. There are four shorter (4.38 Å) and four longer (4.53 Å) Rb–Rb bond lengths. All Rb–Mn bond lengths are 4.38 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Rb atoms. Mn is bonded in a 8-coordinate geometry to eight equivalent Rb atoms.