cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1276562
title: Materials Data on Ce4C2Br5 by Materials Project

description: Ce4C2Br5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Ce4C2Br5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ce+3.25+ sites. In the first Ce+3.25+ site, Ce+3.25+ is bonded to one C4- and four equivalent Br1- atoms to form distorted CeCBr4 square pyramids that share edges with four equivalent CeC4Br4 hexagonal bipyramids and edges with two equivalent CeCBr4 square pyramids. The Ce–C bond length is 2.27 Å. All Ce–Br bond lengths are 3.01 Å. In the second Ce+3.25+ site, Ce+3.25+ is bonded to four equivalent C4- and four Br1- atoms to form distorted CeC4Br4 hexagonal bipyramids that share corners with two equivalent CeC4Br4 hexagonal bipyramids, edges with three equivalent CeC4Br4 hexagonal bipyramids, edges with four equivalent CeCBr4 square pyramids, and faces with three equivalent CeC4Br4 hexagonal bipyramids. All Ce–C bond lengths are 2.65 Å. There are two shorter (3.06 Å) and two longer (3.16 Å) Ce–Br bond lengths. C4- is bonded in a 6-coordinate geometry to five Ce+3.25+ and one C4- atom. The C–C bond length is 1.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three Ce+3.25+ atoms. In the second Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent Ce+3.25+ atoms.
DOI: 10.17188/1276563
title: Materials Data on MgGa by Materials Project

description: MgGa crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to seven equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.80–3.33 Å. Ga is bonded in a 10-coordinate geometry to seven equivalent Mg and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.92 Å) Ga–Ga bond lengths.
DOI: 10.17188/1276564
title: Materials Data on Ca5Pb3 by Materials Project

description: Ca5Pb3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.24–3.72 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.70 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.45 Å. In the fourth Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.65 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms.
DOI: 10.17188/1276565
title: Materials Data on Ce2Co5B2 by Materials Project

description: Ce2Co5B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to two Ce, twelve Co, and six B atoms. There are one shorter (3.03 Å) and one longer (3.10 Å) Ce–Ce bond lengths. There are six shorter (2.87 Å) and six longer (2.98 Å) Ce–Co bond lengths. All Ce–B bond lengths are 2.94 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to four Ce and twelve Co atoms. All Ce–Ce bond lengths are 3.04 Å. There are a spread of Ce–Co bond distances ranging from 2.90–3.07 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to five Ce, one Co, and two B atoms. The Co–Co bond length is 2.54 Å. There are one shorter (2.02 Å) and one longer (2.04 Å) Co–B bond lengths. In the second Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce and four B atoms. There are two shorter (2.07 Å) and two longer (2.09 Å) Co–B bond lengths. In the third Co site, Co is bonded to six equivalent Ce and six equivalent Co atoms to form edge-sharing CoCe6Co6 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.
DOI: 10.17188/1276566
title: Materials Data on Li17Pb4 by Materials Project

description: Li17Pb4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are thirteen inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal planar geometry to six Li and three equivalent Pb atoms. There are three shorter (2.91 Å) and three longer (3.06 Å) Li–Li bond lengths. All Li–Pb bond lengths are 2.93 Å. In the second Li site, Li is bonded in a 10-coordinate geometry to six Li and four Pb atoms. All Li–Li bond lengths are 2.66 Å. There are three shorter (2.99 Å) and one longer (3.04 Å) Li–Pb bond lengths. In the third Li site, Li is bonded in a 11-coordinate geometry to seven Li and four Pb atoms. There are four shorter (2.86 Å) and one longer (2.87 Å) Li–Li bond lengths. There are a spread of Li–Pb bond distances ranging from 3.02–3.22 Å. In the fourth Li site, Li is bonded in a 1-coordinate geometry to three Li and three Pb atoms. The Li–Li bond length is 2.86 Å. There are one shorter (2.89 Å) and two longer (3.14 Å) Li–Pb bond lengths. In the fifth Li site, Li is bonded in a bent 150 degrees geometry to two Li and two Pb atoms. Both Li–Li bond lengths are 3.00 Å. There are one shorter (2.84 Å) and one longer (2.85 Å) Li–Pb bond lengths. In the sixth Li site, Li is bonded in a 3-coordinate geometry to three Li and three Pb atoms. The Li–Li bond length is 2.84 Å. There are a spread of Li–Pb bond distances ranging from 2.89–3.04 Å. In the seventh Li site, Li is bonded in a 3-coordinate geometry to nine Li and three equivalent Pb atoms. There are three shorter (2.84 Å) and three longer (3.00 Å) Li–Li bond lengths. All Li–Pb bond lengths are 3.04 Å. In the eighth Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Li–Li bond lengths are 2.58 Å. All Li–Pb bond lengths are 2.89 Å. In the ninth Li site, Li is bonded in a 1-coordinate geometry to seven Li and four Pb atoms. All Li–Li bond lengths are 2.86 Å. There are one shorter (2.95 Å) and three longer (3.16 Å) Li–Pb bond lengths. In the tenth Li site, Li is bonded in a distorted trigonal planar geometry to four Li and three Pb atoms. There are two shorter (2.94 Å) and one longer (2.96 Å) Li–Pb bond lengths. In the eleventh Li site, Li is bonded in a distorted trigonal planar geometry to three equivalent Li and three equivalent Pb atoms. All Li–Li bond lengths are 2.88 Å. All Li–Pb bond lengths are 2.92 Å. In the twelfth Li site, Li is bonded in a 3-coordinate geometry to two equivalent Li and three Pb atoms. There are one shorter (2.92 Å) and two longer (3.05 Å) Li–Pb bond lengths. In the thirteenth Li site, Li is bonded in a 3-coordinate geometry to nine Li and three equivalent Pb atoms. All Li–Pb bond lengths are 3.03 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to fourteen Li atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to thirteen Li atoms. In the third Pb site, Pb is bonded in a 4-coordinate geometry to thirteen Li atoms. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to thirteen Li atoms.
DOI: 10.17188/1276567
title: Materials Data on TlIn5Se7 by Materials Project

description: TlIn5Se7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.25–3.90 Å. There are five inequivalent In+2.60+ sites. In the first In+2.60+ site, In+2.60+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of In–Se bond distances ranging from 2.69–2.97 Å. In the second In+2.60+ site, In+2.60+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are two shorter (2.71 Å) and one longer (2.79 Å) In–Se bond lengths. In the third In+2.60+ site, In+2.60+ is bonded in a 5-coordinate geometry to three Se2- atoms. There are one shorter (2.68 Å) and two longer (2.73 Å) In–Se bond lengths. In the fourth In+2.60+ site, In+2.60+ is bonded to six Se2- atoms to form edge-sharing InSe6 octahedra. There are a spread of In–Se bond distances ranging from 2.77–2.86 Å. In the fifth In+2.60+ site, In+2.60+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of In–Se bond distances ranging from 2.73–2.96 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and three In+2.60+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Tl1+ and three In+2.60+ atoms. In the third Se2- site, Se2- is bonded to five In+2.60+ atoms to form SeIn5 square pyramids that share corners with four equivalent SeTl2In3 trigonal bipyramids, edges with four equivalent SeIn5 square pyramids, and an edgeedge with one SeTl2In3 trigonal bipyramid. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three In+2.60+ atoms. In the fifth Se2- site, Se2- is bonded to one Tl1+ and four In+2.60+ atoms to form distorted SeTlIn4 trigonal bipyramids that share a cornercorner with one SeTl2In3 square pyramid, corners with four SeTlIn4 trigonal bipyramids, edges with two equivalent SeTl2In3 square pyramids, and edges with two equivalent SeTlIn4 trigonal bipyramids. In the sixth Se2- site, Se2- is bonded to two equivalent Tl1+ and three In+2.60+ atoms to form distorted SeTl2In3 square pyramids that share corners with three SeTlIn4 trigonal bipyramids, edges with two equivalent SeTl2In3 square pyramids, and edges with three SeTlIn4 trigonal bipyramids. In the seventh Se2- site, Se2- is bonded to two equivalent Tl1+ and three equivalent In+2.60+ atoms to form distorted SeTl2In3 trigonal bipyramids that share corners with six SeIn5 square pyramids, corners with two equivalent SeTlIn4 trigonal bipyramids, edges with two SeIn5 square pyramids, and edges with four equivalent SeTl2In3 trigonal bipyramids.
DOI: 10.17188/1276568
title: Materials Data on GdTe by Materials Project

description: GdTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Te bond lengths are 3.13 Å. Te is bonded to six equivalent Gd atoms to form a mixture of edge and corner-sharing TeGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1276569
title: Materials Data on CsGa3 by Materials Project

description: CsGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to four equivalent Cs and twelve Ga atoms. All Cs–Cs bond lengths are 3.81 Å. There are four shorter (3.75 Å) and eight longer (3.83 Å) Cs–Ga bond lengths. In the second Cs site, Cs is bonded in a 12-coordinate geometry to three Cs and sixteen Ga atoms. The Cs–Cs bond length is 3.74 Å. There are a spread of Cs–Ga bond distances ranging from 3.81–4.19 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to five Cs and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.89 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five Cs and five Ga atoms. There are one shorter (2.47 Å) and one longer (2.59 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Ga atoms.
DOI: 10.17188/1276571
title: Materials Data on CuAsSe by Materials Project

description: CuAsSe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to one As1- and three Se2- atoms to form CuAsSe3 tetrahedra that share a cornercorner with one SeCu3As tetrahedra and corners with six CuAsSe3 tetrahedra. The Cu–As bond length is 2.38 Å. There are one shorter (2.41 Å) and two longer (2.43 Å) Cu–Se bond lengths. In the second Cu3+ site, Cu3+ is bonded to one As1- and three Se2- atoms to form CuAsSe3 tetrahedra that share a cornercorner with one SeCu3As tetrahedra and corners with six CuAsSe3 tetrahedra. The Cu–As bond length is 2.39 Å. There are two shorter (2.42 Å) and one longer (2.43 Å) Cu–Se bond lengths. In the third Cu3+ site, Cu3+ is bonded to one As1- and three Se2- atoms to form CuAsSe3 tetrahedra that share a cornercorner with one SeCu3As tetrahedra and corners with six CuAsSe3 tetrahedra. The Cu–As bond length is 2.39 Å. There are two shorter (2.41 Å) and one longer (2.42 Å) Cu–Se bond lengths. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a 2-coordinate geometry to one Cu3+, two As1-, and one Se2- atom. There are one shorter (2.53 Å) and one longer (2.60 Å) As–As bond lengths. The As–Se bond length is 2.45 Å. In the second As1- site, As1- is bonded in a 4-coordinate geometry to one Cu3+, two As1-, and one Se2- atom. The As–As bond length is 2.56 Å. The As–Se bond length is 2.45 Å. In the third As1- site, As1- is bonded in a 4-coordinate geometry to one Cu3+, two As1-, and one Se2- atom. The As–As bond length is 2.56 Å. The As–Se bond length is 2.46 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Cu3+ and one As1- atom to form SeCu3As tetrahedra that share a cornercorner with one CuAsSe3 tetrahedra and corners with six SeCu3As tetrahedra. In the second Se2- site, Se2- is bonded to three Cu3+ and one As1- atom to form SeCu3As tetrahedra that share a cornercorner with one CuAsSe3 tetrahedra and corners with six SeCu3As tetrahedra. In the third Se2- site, Se2- is bonded to three Cu3+ and one As1- atom to form SeCu3As tetrahedra that share a cornercorner with one CuAsSe3 tetrahedra and corners with six SeCu3As tetrahedra.
DOI: 10.17188/1276572
title: Materials Data on La2InCu2 by Materials Project

description: La2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (3.02 Å) and four longer (3.09 Å) La–Cu bond lengths. All La–In bond lengths are 3.51 Å. Cu is bonded in a 9-coordinate geometry to six equivalent La, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.60 Å. Both Cu–In bond lengths are 3.15 Å. In is bonded to eight equivalent La and four equivalent Cu atoms to form a mixture of face and corner-sharing InLa8Cu4 cuboctahedra.
DOI: 10.17188/1276573
title: Materials Data on CsHg2 by Materials Project

description: CsHg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are a spread of Cs–Hg bond distances ranging from 3.90–4.22 Å. Hg is bonded in a 10-coordinate geometry to six equivalent Cs and four equivalent Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.20–3.41 Å.
DOI: 10.17188/1276574
title: Materials Data on CeNi5Sn by Materials Project

description: CeNi5Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Ni and two Sn atoms. There are six shorter (2.82 Å) and twelve longer (3.19 Å) Ce–Ni bond lengths. Both Ce–Sn bond lengths are 3.19 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to twelve Ni and six Sn atoms. There are six shorter (2.94 Å) and six longer (3.19 Å) Ce–Ni bond lengths. All Ce–Sn bond lengths are 3.31 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to three Ce, seven Ni, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing NiCe3Ni7Sn2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.49 Å. Both Ni–Sn bond lengths are 2.69 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Ce, three equivalent Ni, and four equivalent Sn atoms. There are one shorter (2.56 Å) and three longer (2.96 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. All Ni–Ni bond lengths are 2.82 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. All Sn–Ce bond lengths are 3.31 Å. All Sn–Ni bond lengths are 2.69 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. The Sn–Ce bond length is 3.19 Å. There are one shorter (2.56 Å) and three longer (2.96 Å) Sn–Ni bond lengths. In the third Sn site, Sn is bonded in a 1-coordinate geometry to four Ce and ten Ni atoms. There are a spread of Sn–Ni bond distances ranging from 2.56–2.96 Å.
DOI: 10.17188/1276575
title: Materials Data on SeN by Materials Project

description: NSe is red selenium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four NSe clusters. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two equivalent Se1- atoms. Both N–Se bond lengths are 1.80 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two equivalent Se1- atoms. Both N–Se bond lengths are 1.81 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the second Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms.
DOI: 10.17188/1276576
title: Materials Data on CsCeCdSe3 by Materials Project

description: CsCeCdSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.70–4.02 Å. Ce3+ is bonded to six Se2- atoms to form CeSe6 octahedra that share corners with two equivalent CeSe6 octahedra, edges with two equivalent CeSe6 octahedra, and edges with four equivalent CdSe4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (3.02 Å) and two longer (3.05 Å) Ce–Se bond lengths. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with two equivalent CdSe4 tetrahedra and edges with four equivalent CeSe6 octahedra. There are two shorter (2.63 Å) and two longer (2.74 Å) Cd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Ce3+, and two equivalent Cd2+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Ce3+, and one Cd2+ atom.
DOI: 10.17188/1276578
title: Materials Data on BaUI6 by Materials Project

description: BaUI6 is Aluminum trichloride-derived structured and crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two BaUI6 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded to six I1- atoms to form BaI6 octahedra that share edges with three equivalent UI6 octahedra. There are a spread of Ba–I bond distances ranging from 3.47–3.49 Å. U4+ is bonded to six I1- atoms to form UI6 octahedra that share edges with three equivalent BaI6 octahedra. There are one shorter (3.02 Å) and five longer (3.03 Å) U–I bond lengths. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom. In the fifth I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom. In the sixth I1- site, I1- is bonded in an L-shaped geometry to one Ba2+ and one U4+ atom.
DOI: 10.17188/1276579
title: Materials Data on ThRu2 by Materials Project

description: ThRu2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Ru atoms. All Th–Ru bond lengths are 3.19 Å. Ru is bonded to six equivalent Th and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuTh6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å.
DOI: 10.17188/1276580
title: Materials Data on RbGd2CuSe4 by Materials Project

description: RbGd2CuSe4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.35–3.96 Å. Gd3+ is bonded to six Se2- atoms to form GdSe6 octahedra that share corners with three equivalent GdSe6 octahedra, a cornercorner with one CuSe4 tetrahedra, edges with five equivalent GdSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–37°. There are a spread of Gd–Se bond distances ranging from 2.86–2.99 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent GdSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, and edges with four equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.47 Å) and two longer (2.48 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Gd3+, and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Rb1+, three equivalent Gd3+, and one Cu1+ atom to form a mixture of distorted edge, face, and corner-sharing SeRb2Gd3Cu octahedra. The corner-sharing octahedra tilt angles range from 4–65°. In the third Se2- site, Se2- is bonded to two equivalent Rb1+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeRb2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 4–47°.