cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1701076
title: Materials Data on MnZn3F6 by Materials Project

description: MnZn2F4ZnF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MnZn2F4 sheet oriented in the (0, 0, 1) direction and one zinc fluoride (znf2) molecule. In the MnZn2F4 sheet, Mn is bonded in a square co-planar geometry to four F atoms. There are two shorter (1.98 Å) and two longer (2.12 Å) Mn–F bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a linear geometry to two equivalent F atoms. Both Zn–F bond lengths are 2.22 Å. In the second Zn site, Zn is bonded in a linear geometry to two equivalent F atoms. Both Zn–F bond lengths are 1.92 Å. There are two inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Mn and one Zn atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Mn and one Zn atom.
DOI: 10.17188/1701078
title: Materials Data on Rb3NdF6 by Materials Project

description: Rb3NdF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent NdF6 octahedra. All Rb–F bond lengths are 3.51 Å. In the second Rb1+ site, Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent NdF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.67 Å. Nd3+ is bonded to six equivalent F1- atoms to form NdF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–F bond lengths are 2.28 Å. F1- is bonded in a distorted linear geometry to five Rb1+ and one Nd3+ atom.
DOI: 10.17188/1701079
title: Materials Data on KCoMo3(AsO6)3 by Materials Project

description: K2Mo6Co(AsO5)6CoO6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four cobalt;hexahydrate molecules and one K2Mo6Co(AsO5)6 framework. In the K2Mo6Co(AsO5)6 framework, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.78 Å) and three longer (2.83 Å) K–O bond lengths. Mo6+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.46 Å. Co2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Co–O bond lengths are 1.95 Å. As5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.88 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mo6+, one Co2+, and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom.
DOI: 10.17188/1701080
title: Materials Data on GaAgGeSe4 by Materials Project

description: AgGaGeSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Ga–Se bond lengths are 2.45 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ge–Se bond lengths are 2.41 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one Ge4+ atom.
DOI: 10.17188/1701081
title: Materials Data on Nb4FeS8 by Materials Project

description: Nb4FeS8 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share edges with six equivalent NbS6 pentagonal pyramids and faces with two equivalent FeS6 octahedra. All Nb–S bond lengths are 2.46 Å. In the second Nb+3.50+ site, Nb+3.50+ is bonded to six S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with four equivalent FeS6 octahedra and edges with six NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.45 Å) and four longer (2.52 Å) Nb–S bond lengths. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with twelve equivalent NbS6 pentagonal pyramids and faces with two equivalent NbS6 pentagonal pyramids. All Fe–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Nb+3.50+ and one Fe2+ atom.
DOI: 10.17188/1701082
title: Materials Data on FeB18H42C8(SN)2 by Materials Project

description: FeB16(H8S)2(BH)2(N(CH3)4)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight boranediylradical molecules, eight tetramethylammonium molecules, and four FeB16(H8S)2 clusters. In each FeB16(H8S)2 cluster, Fe2+ is bonded in a distorted hexagonal bipyramidal geometry to six B and two equivalent S2- atoms. There are a spread of Fe–B bond distances ranging from 2.21–2.26 Å. Both Fe–S bond lengths are 2.27 Å. There are eight inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one Fe2+, one B, and one H+0.95+ atom. The B–B bond length is 1.79 Å. The B–H bond length is 1.21 Å. In the second B site, B is bonded in a single-bond geometry to one B and one H+0.95+ atom. The B–B bond length is 1.78 Å. The B–H bond length is 1.20 Å. In the third B site, B is bonded in a 2-coordinate geometry to three B, one H+0.95+, and one S2- atom. There is one shorter (1.76 Å) and one longer (1.87 Å) B–B bond length. The B–H bond length is 1.20 Å. The B–S bond length is 1.93 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one B and one H+0.95+ atom. The B–B bond length is 1.73 Å. The B–H bond length is 1.20 Å. In the fifth B site, B is bonded in a 1-coordinate geometry to one Fe2+, three B, one H+0.95+, and one S2- atom. The B–B bond length is 1.84 Å. The B–H bond length is 1.20 Å. The B–S bond length is 2.00 Å. In the sixth B site, B is bonded in a distorted single-bond geometry to one Fe2+ and one H+0.95+ atom. The B–H bond length is 1.20 Å. In the seventh B site, B is bonded in a 1-coordinate geometry to two B, one H+0.95+, and one S2- atom. The B–H bond length is 1.20 Å. The B–S bond length is 1.98 Å. In the eighth B site, B is bonded in a distorted single-bond geometry to one B and one H+0.95+ atom. The B–H bond length is 1.21 Å. There are eight inequivalent H+0.95+ sites. In the first H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the second H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the third H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the fourth H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the fifth H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the sixth H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the seventh H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. In the eighth H+0.95+ site, H+0.95+ is bonded in a single-bond geometry to one B atom. S2- is bonded in a 4-coordinate geometry to one Fe2+ and three B atoms.
DOI: 10.17188/1701083
title: Materials Data on Ba4Pr3BiO12 by Materials Project

description: Ba4Pr3BiO12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first 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 2.69–3.25 Å. In the second 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 2.72–3.21 Å. There are three inequivalent Pr+3.67+ sites. In the first Pr+3.67+ site, Pr+3.67+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with two equivalent PrO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–27°. There are a spread of Pr–O bond distances ranging from 2.29–2.41 Å. In the second Pr+3.67+ site, Pr+3.67+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with two equivalent BiO6 octahedra and corners with four equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are four shorter (2.32 Å) and two longer (2.45 Å) Pr–O bond lengths. In the third Pr+3.67+ site, Pr+3.67+ is bonded to six O2- atoms to form corner-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. All Pr–O bond lengths are 2.34 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six PrO6 octahedra. The corner-sharing octahedra tilt angles range from 21–26°. There are two shorter (2.17 Å) and four longer (2.18 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+, one Pr+3.67+, and one Bi5+ atom. In the second O2- site, O2- is bonded to two Ba2+ and two Pr+3.67+ atoms to form distorted corner-sharing OBa2Pr2 tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Pr+3.67+, and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two Pr+3.67+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+ and two Pr+3.67+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Pr+3.67+, and one Bi5+ atom.
DOI: 10.17188/1701084
title: Materials Data on Hg3Bi by Materials Project

description: Hg3Bi is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded to eight Hg and four equivalent Bi atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with four equivalent BiHg12 cuboctahedra, corners with fourteen HgHg8Bi4 cuboctahedra, edges with six equivalent BiHg12 cuboctahedra, edges with twelve HgHg8Bi4 cuboctahedra, faces with four equivalent BiHg12 cuboctahedra, and faces with sixteen HgHg8Bi4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 3.34–3.40 Å. There are two shorter (3.37 Å) and two longer (3.39 Å) Hg–Bi bond lengths. In the second Hg site, Hg is bonded to eight Hg and four equivalent Bi atoms to form distorted HgHg8Bi4 cuboctahedra that share corners with four equivalent BiHg12 cuboctahedra, corners with fourteen HgHg8Bi4 cuboctahedra, edges with six equivalent BiHg12 cuboctahedra, edges with twelve HgHg8Bi4 cuboctahedra, faces with four equivalent BiHg12 cuboctahedra, and faces with sixteen HgHg8Bi4 cuboctahedra. Both Hg–Hg bond lengths are 3.37 Å. There are two shorter (3.37 Å) and two longer (3.39 Å) Hg–Bi bond lengths. Bi is bonded to twelve Hg atoms to form BiHg12 cuboctahedra that share corners with six equivalent BiHg12 cuboctahedra, corners with twelve HgHg8Bi4 cuboctahedra, edges with eighteen HgHg8Bi4 cuboctahedra, faces with eight equivalent BiHg12 cuboctahedra, and faces with twelve HgHg8Bi4 cuboctahedra.
DOI: 10.17188/1701086
title: Materials Data on CaSm3 by Materials Project

description: CaSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve Sm atoms to form CaSm12 cuboctahedra that share corners with six equivalent CaSm12 cuboctahedra, corners with twelve SmCa4Sm8 cuboctahedra, edges with eighteen SmCa4Sm8 cuboctahedra, faces with eight equivalent CaSm12 cuboctahedra, and faces with twelve SmCa4Sm8 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.71 Å) Ca–Sm bond lengths. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ca and eight Sm atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent CaSm12 cuboctahedra, corners with fourteen SmCa4Sm8 cuboctahedra, edges with six equivalent CaSm12 cuboctahedra, edges with twelve SmCa4Sm8 cuboctahedra, faces with four equivalent CaSm12 cuboctahedra, and faces with sixteen SmCa4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.75 Å. In the second Sm site, Sm is bonded to four equivalent Ca and eight Sm atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent CaSm12 cuboctahedra, corners with fourteen SmCa4Sm8 cuboctahedra, edges with six equivalent CaSm12 cuboctahedra, edges with twelve SmCa4Sm8 cuboctahedra, faces with four equivalent CaSm12 cuboctahedra, and faces with sixteen SmCa4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.75 Å. In the third Sm site, Sm is bonded to four equivalent Ca and eight Sm atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent CaSm12 cuboctahedra, corners with fourteen SmCa4Sm8 cuboctahedra, edges with six equivalent CaSm12 cuboctahedra, edges with twelve SmCa4Sm8 cuboctahedra, faces with four equivalent CaSm12 cuboctahedra, and faces with sixteen SmCa4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.75 Å.
DOI: 10.17188/1701087
title: Materials Data on CrGa2N3 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: 10.17188/1701088
title: Materials Data on Ba2NaIn by Materials Project

description: NaBa2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. All Na–Ba bond lengths are 3.79 Å. Ba is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Ba–In bond lengths are 3.79 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1701089
title: Materials Data on U(CO3)2 by Materials Project

description: U(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four U(CO3)2 ribbons oriented in the (0, 1, 0) direction. U4+ is bonded to seven O2- atoms to form distorted corner-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.21 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom.
DOI: 10.17188/1701091
title: Materials Data on PuInAu2 by Materials Project

description: PuAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pu–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pu and four equivalent In atoms. All Au–In bond lengths are 3.06 Å. In is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1701092
title: Materials Data on Li8NiO5F 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: 10.17188/1701094
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.75 Å) Cr–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms.
DOI: 10.17188/1701095
title: Materials Data on Li2Ni4OF8 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: 10.17188/1701096
title: Materials Data on Co3(OF2)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: 10.17188/1701097
title: Materials Data on NaVPO5 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: 10.17188/1701098
title: Materials Data on Sr2Mg by Materials Project

description: Sr2Mg1 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Sr2Mg1 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Mg atoms. There are two shorter (3.55 Å) and four longer (3.77 Å) Sr–Mg bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Mg atoms. Both Sr–Mg bond lengths are 3.65 Å. Mg is bonded in a body-centered cubic geometry to eight Sr atoms.
DOI: 10.17188/1701099
title: Materials Data on Na2CaP2H16(S3O4)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: 10.17188/1701100
title: Materials Data on SrScTl2 by Materials Project

description: SrScTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrScTl2 ribbons oriented in the (1, 0, 0) direction. Sr is bonded in a linear geometry to two equivalent Tl atoms. Both Sr–Tl bond lengths are 3.29 Å. Sc is bonded in a linear geometry to two equivalent Tl atoms. Both Sc–Tl bond lengths are 2.87 Å. Tl is bonded in a linear geometry to one Sr and one Sc atom.
DOI: 10.17188/1701101
title: Materials Data on Li5Ti2Fe5O12 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: 10.17188/1701102
title: Materials Data on Be3Si by Materials Project

description: Be3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Si atoms to form BeBe8Si4 cuboctahedra that share corners with twelve equivalent BeBe8Si4 cuboctahedra, edges with eight equivalent SiBe12 cuboctahedra, edges with sixteen BeBe8Si4 cuboctahedra, faces with four equivalent SiBe12 cuboctahedra, and faces with fourteen BeBe8Si4 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.42 Å) Be–Be bond lengths. All Be–Si bond lengths are 2.42 Å. In the second Be site, Be is bonded to eight equivalent Be and four equivalent Si atoms to form BeBe8Si4 cuboctahedra that share corners with four equivalent BeBe8Si4 cuboctahedra, corners with eight equivalent SiBe12 cuboctahedra, edges with twenty-four BeBe8Si4 cuboctahedra, faces with six equivalent SiBe12 cuboctahedra, and faces with twelve BeBe8Si4 cuboctahedra. All Be–Si bond lengths are 2.41 Å. Si is bonded to twelve Be atoms to form SiBe12 cuboctahedra that share corners with four equivalent SiBe12 cuboctahedra, corners with eight equivalent BeBe8Si4 cuboctahedra, edges with eight equivalent SiBe12 cuboctahedra, edges with sixteen equivalent BeBe8Si4 cuboctahedra, faces with four equivalent SiBe12 cuboctahedra, and faces with fourteen BeBe8Si4 cuboctahedra.