cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313162
title: Materials Data on RbSmS2 by Materials Project

description: RbSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–S bond lengths are 3.36 Å. Sm3+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Sm–S bond lengths are 2.84 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SRb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313163
title: Materials Data on RbTbS2 by Materials Project

description: RbTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.35 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Tb–S bond lengths are 2.79 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SRb3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313164
title: Materials Data on RbHoS2 by Materials Project

description: RbHoS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent HoS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.34 Å. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Ho–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SRb3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313165
title: Materials Data on RbErS2 by Materials Project

description: RbErS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.33 Å. Er3+ is bonded to six equivalent S2- atoms to form edge-sharing ErS6 octahedra. All Er–S bond lengths are 2.76 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing SRb3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313166
title: Materials Data on RbTmS2 by Materials Project

description: RbTmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.33 Å. Tm3+ is bonded to six equivalent S2- atoms to form edge-sharing TmS6 octahedra. All Tm–S bond lengths are 2.74 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing SRb3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313167
title: Materials Data on RbYbS2 by Materials Project

description: RbYbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.37 Å. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Yb–S bond lengths are 2.83 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Yb3+ atoms to form a mixture of distorted corner and edge-sharing SRb3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313168
title: Materials Data on RbLuS2 by Materials Project

description: RbLuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.32 Å. Lu3+ is bonded to six equivalent S2- atoms to form edge-sharing LuS6 octahedra. All Lu–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing SRb3Lu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313169
title: Materials Data on ErF3 by Materials Project

description: ErF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.17–2.34 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Er3+ atoms.
DOI: 10.17188/1313170
title: Materials Data on Ba2Cu(PO4)2 by Materials Project

description: Ba2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.05 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P5+ atom.
DOI: 10.17188/1313171
title: Materials Data on MnMoN2 by Materials Project

description: MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.
DOI: 10.17188/1313172
title: Materials Data on Li7ZrO6 by Materials Project

description: Li7ZrO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent ZrO6 octahedra, corners with six equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one ZrO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–55°. There are a spread of Li–O bond distances ranging from 1.96–2.02 Å. In the second Li site, Li is bonded to four O atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent ZrO6 octahedra, corners with six equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one ZrO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–63°. There are a spread of Li–O bond distances ranging from 1.89–2.06 Å. In the third Li site, Li is bonded to six O atoms to form distorted LiO6 octahedra that share corners with twelve LiO4 tetrahedra, edges with three equivalent ZrO6 octahedra, and edges with six LiO4 tetrahedra. There are three shorter (2.13 Å) and three longer (2.46 Å) Li–O bond lengths. Zr is bonded to six O atoms to form ZrO6 octahedra that share corners with twelve LiO4 tetrahedra, edges with three equivalent LiO6 octahedra, and edges with six LiO4 tetrahedra. There are three shorter (2.11 Å) and three longer (2.15 Å) Zr–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five Li and one Zr atom. In the second O site, O is bonded to five Li and one Zr atom to form a mixture of distorted corner and edge-sharing OLi5Zr pentagonal pyramids.
DOI: 10.17188/1313173
title: Materials Data on Na(SnAs)2 by Materials Project

description: Na(SnAs)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Na(SnAs)2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent As3- atoms to form edge-sharing NaAs6 octahedra. All Na–As bond lengths are 3.14 Å. Sn+2.50+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.72 Å. As3- is bonded to three equivalent Na1+ and three equivalent Sn+2.50+ atoms to form a mixture of corner and edge-sharing AsNa3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313174
title: Materials Data on SrGe4O9 by Materials Project

description: SrGe4O9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–3.21 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–61°. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.78 Å) and two longer (1.81 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There is three shorter (1.89 Å) and three longer (1.90 Å) Ge–O bond length. In the fourth Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form corner-sharing GeO6 octahedra. All Ge–O bond lengths are 1.94 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sr2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1313175
title: Materials Data on Zr6FeTe2 by Materials Project

description: Zr6FeTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Te atoms. Both Zr–Fe bond lengths are 2.61 Å. Both Zr–Te bond lengths are 3.05 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Te atoms. The Zr–Fe bond length is 3.16 Å. All Zr–Te bond lengths are 2.99 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Te is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1313176
title: Materials Data on SrZrN2 by Materials Project

description: SrZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with six equivalent ZrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent ZrN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sr–N bond lengths are 2.64 Å. Zr4+ is bonded to six equivalent N3- atoms to form ZrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent ZrN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Zr–N bond lengths are 2.30 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NSr3Zr3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313177
title: Materials Data on SrHfN2 by Materials Project

description: SrHfN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent HfN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Sr–N bond lengths are 2.64 Å. Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent HfN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Hf–N bond lengths are 2.26 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Hf4+ atoms to form a mixture of edge and corner-sharing NSr3Hf3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1313178
title: Materials Data on CsAu3S2 by Materials Project

description: CsAu3S2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.96 Å. Au1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.35 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Au1+ atoms to form a mixture of distorted corner and edge-sharing SCs3Au3 octahedra. The corner-sharing octahedra tilt angles range from 0–71°.
DOI: 10.17188/1313179
title: Materials Data on RbAu3Se2 by Materials Project

description: RbAu3Se2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Rb–Se bond lengths are 3.80 Å. Au1+ is bonded in a distorted linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.48 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Au1+ atoms.
DOI: 10.17188/1313180
title: Materials Data on CsAu3Se2 by Materials Project

description: CsAu3Se2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Cs–Se bond lengths are 3.94 Å. Au1+ is bonded in a distorted linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.47 Å. Se2- is bonded to three equivalent Cs1+ and three equivalent Au1+ atoms to form a mixture of distorted edge and corner-sharing SeCs3Au3 octahedra. The corner-sharing octahedra tilt angles range from 0–70°.
DOI: 10.17188/1313181
title: Materials Data on TbCuGe by Materials Project

description: TbCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing TbCu6Ge6 cuboctahedra. There are three shorter (2.95 Å) and three longer (3.19 Å) Tb–Cu bond lengths. There are three shorter (2.97 Å) and three longer (3.17 Å) Tb–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms.
DOI: 10.17188/1313182
title: Materials Data on HoCuGe by Materials Project

description: HoCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.90 Å) and three longer (3.20 Å) Ho–Cu bond lengths. There are three shorter (2.94 Å) and three longer (3.16 Å) Ho–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ge atoms. There are three shorter (2.50 Å) and one longer (3.14 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Cu atoms.
DOI: 10.17188/1313183
title: Materials Data on ErCuGe by Materials Project

description: ErCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.88 Å) and three longer (3.19 Å) Er–Cu bond lengths. There are three shorter (2.92 Å) and three longer (3.15 Å) Er–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ge atoms. There are three shorter (2.50 Å) and one longer (3.09 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Cu atoms.
DOI: 10.17188/1313184
title: Materials Data on TaNi2Te3 by Materials Project

description: TaNi2Te3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TaNi2Te3 sheet oriented in the (-1, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form distorted TaTe5 square pyramids that share corners with three NiTe4 tetrahedra, edges with two equivalent TaTe5 square pyramids, and edges with five NiTe4 tetrahedra. There are a spread of Ta–Te bond distances ranging from 2.74–2.91 Å. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four Te2- atoms to form distorted NiTe4 tetrahedra that share a cornercorner with one TaTe5 square pyramid, corners with three NiTe4 tetrahedra, edges with two equivalent TaTe5 square pyramids, and edges with two equivalent NiTe4 tetrahedra. There are a spread of Ni–Te bond distances ranging from 2.53–2.59 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to four Te2- atoms to form NiTe4 tetrahedra that share corners with two equivalent TaTe5 square pyramids, corners with three NiTe4 tetrahedra, edges with three equivalent TaTe5 square pyramids, and edges with two equivalent NiTe4 tetrahedra. There are a spread of Ni–Te bond distances ranging from 2.56–2.74 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two Ni+1.50+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to one Ta3+ and three equivalent Ni+1.50+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ta3+ and three equivalent Ni+1.50+ atoms.
DOI: 10.17188/1313185
title: Materials Data on Sr4Al6TeO12 by Materials Project

description: Sr4Al6TeO12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sr2+ is bonded to one Te2- and six equivalent O2- atoms to form distorted SrTeO6 hexagonal pyramids that share corners with nine equivalent SrTeO6 hexagonal pyramids and edges with six equivalent AlO4 tetrahedra. The Sr–Te bond length is 3.35 Å. There are three shorter (2.52 Å) and three longer (2.97 Å) Sr–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with four equivalent SrTeO6 hexagonal pyramids. All Al–O bond lengths are 1.76 Å. Te2- is bonded in a tetrahedral geometry to four equivalent Sr2+ atoms. O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms.
DOI: 10.17188/1313186
title: Materials Data on U2Cr3Si by Materials Project

description: U2Cr3Si crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to one U, nine Cr, and three equivalent Si atoms. The U–U bond length is 2.63 Å. There are a spread of U–Cr bond distances ranging from 2.87–3.07 Å. There are one shorter (3.02 Å) and two longer (3.03 Å) U–Si bond lengths. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent U, four Cr, and two equivalent Si atoms to form distorted CrU6Cr4Si2 cuboctahedra that share corners with four equivalent SiU6Cr6 cuboctahedra, corners with fourteen CrU6Cr4Si2 cuboctahedra, edges with six equivalent CrU6Cr4Si2 cuboctahedra, faces with six equivalent SiU6Cr6 cuboctahedra, and faces with twelve CrU6Cr4Si2 cuboctahedra. There are a spread of Cr–Cr bond distances ranging from 2.46–2.64 Å. Both Cr–Si bond lengths are 2.53 Å. In the second Cr site, Cr is bonded to six equivalent U, four Cr, and two equivalent Si atoms to form distorted CrU6Cr4Si2 cuboctahedra that share corners with four equivalent SiU6Cr6 cuboctahedra, corners with fourteen CrU6Cr4Si2 cuboctahedra, edges with six equivalent CrU6Cr4Si2 cuboctahedra, faces with six equivalent SiU6Cr6 cuboctahedra, and faces with twelve CrU6Cr4Si2 cuboctahedra. There are one shorter (2.47 Å) and one longer (2.63 Å) Cr–Cr bond lengths. Both Cr–Si bond lengths are 2.53 Å. In the third Cr site, Cr is bonded to six equivalent U, four Cr, and two equivalent Si atoms to form distorted CrU6Cr4Si2 cuboctahedra that share corners with four equivalent SiU6Cr6 cuboctahedra, corners with fourteen CrU6Cr4Si2 cuboctahedra, edges with six equivalent CrU6Cr4Si2 cuboctahedra, faces with six equivalent SiU6Cr6 cuboctahedra, and faces with twelve CrU6Cr4Si2 cuboctahedra. Both Cr–Si bond lengths are 2.53 Å. Si is bonded to six equivalent U and six Cr atoms to form SiU6Cr6 cuboctahedra that share corners with twelve CrU6Cr4Si2 cuboctahedra, edges with six equivalent SiU6Cr6 cuboctahedra, faces with two equivalent SiU6Cr6 cuboctahedra, and faces with eighteen CrU6Cr4Si2 cuboctahedra.