cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1708426
title: Materials Data on Pu6Co by Materials Project

description: Pu6Co crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a distorted T-shaped geometry to three Pu atoms. There are one shorter (2.50 Å) and two longer (2.57 Å) Pu–Pu bond lengths. In the second Pu site, Pu is bonded in a 4-coordinate geometry to two Pu and two equivalent Co atoms. The Pu–Pu bond length is 2.31 Å. Both Pu–Co bond lengths are 2.80 Å. Co is bonded in a 10-coordinate geometry to eight equivalent Pu and two equivalent Co atoms. Both Co–Co bond lengths are 2.69 Å.
DOI: 10.17188/1708429
title: Materials Data on Ca2MnP2(H2O5)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: 10.17188/1708430
title: Materials Data on Sr2LuCu2(BiO4)2 by Materials Project

description: Sr2LuCu2(BiO4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.69–2.80 Å. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.37 Å. Cu+1.50+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share a cornercorner with one BiO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and one longer (2.52 Å) Cu–O bond lengths. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent BiO6 octahedra, a cornercorner with one CuO5 square pyramid, and edges with eight equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Bi–O bond distances ranging from 2.15–2.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Lu3+, and two equivalent Cu+1.50+ atoms. In the second O2- site, O2- is bonded to one Sr2+ and five equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OSrBi5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.50+, and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr4CuBi octahedra. The corner-sharing octahedra tilt angles range from 0–26°.
DOI: 10.17188/1708431
title: Materials Data on V3Cr2Sn(PO4)6 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: 10.17188/1708432
title: Materials Data on Nb3AlV3Sn by Materials Project

description: Nb3V3AlSn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Nb is bonded in a 4-coordinate geometry to four equivalent Nb, six V, two equivalent Al, and two equivalent Sn atoms. All Nb–Nb bond lengths are 3.12 Å. There are a spread of Nb–V bond distances ranging from 2.43–3.14 Å. There are one shorter (2.81 Å) and one longer (2.84 Å) Nb–Al bond lengths. There are one shorter (2.88 Å) and one longer (2.92 Å) Nb–Sn bond lengths. There are five inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six equivalent Nb, four V, two equivalent Al, and two equivalent Sn atoms. There are two shorter (3.10 Å) and two longer (3.16 Å) V–V bond lengths. There are one shorter (2.82 Å) and one longer (2.83 Å) V–Al bond lengths. There are one shorter (2.83 Å) and one longer (2.87 Å) V–Sn bond lengths. In the second V site, V is bonded in a 6-coordinate geometry to six equivalent Nb, four V, two equivalent Al, and two equivalent Sn atoms. The V–V bond length is 3.16 Å. There are one shorter (2.82 Å) and one longer (2.83 Å) V–Al bond lengths. There are one shorter (2.83 Å) and one longer (2.87 Å) V–Sn bond lengths. In the third V site, V is bonded in a 6-coordinate geometry to six equivalent Nb, four V, two equivalent Al, and two equivalent Sn atoms. There are one shorter (3.10 Å) and one longer (3.16 Å) V–V bond lengths. There are one shorter (2.82 Å) and one longer (2.83 Å) V–Al bond lengths. There are one shorter (2.83 Å) and one longer (2.87 Å) V–Sn bond lengths. In the fourth V site, V is bonded in a 6-coordinate geometry to six equivalent Nb, four V, two equivalent Al, and two equivalent Sn atoms. There are a spread of V–Nb bond distances ranging from 2.43–3.14 Å. There are two shorter (3.10 Å) and two longer (3.16 Å) V–V bond lengths. There are one shorter (2.82 Å) and one longer (2.83 Å) V–Al bond lengths. There are one shorter (2.83 Å) and one longer (2.87 Å) V–Sn bond lengths. In the fifth V site, V is bonded in a 6-coordinate geometry to six equivalent Nb, four V, two equivalent Al, and two equivalent Sn atoms. There are a spread of V–Nb bond distances ranging from 2.43–3.14 Å. There are one shorter (2.82 Å) and one longer (2.83 Å) V–Al bond lengths. There are one shorter (2.83 Å) and one longer (2.87 Å) V–Sn bond lengths. Al is bonded to six equivalent Nb and six V atoms to form AlNb6V6 cuboctahedra that share edges with six equivalent AlNb6V6 cuboctahedra and faces with eight equivalent SnNb6V6 cuboctahedra. Sn is bonded to six equivalent Nb and six V atoms to form SnNb6V6 cuboctahedra that share edges with six equivalent SnNb6V6 cuboctahedra and faces with eight equivalent AlNb6V6 cuboctahedra.
DOI: 10.17188/1708433
title: Materials Data on VN3O10 by Materials Project

description: VO(NO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four VO(NO3)3 clusters. V5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.25 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.20–1.32 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.20–1.32 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.20–1.34 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one V5+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one V5+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V5+ and one N5+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to one V5+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to one V5+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the tenth O2- site, O2- is bonded in an L-shaped geometry to one V5+ and one N5+ atom.
DOI: 10.17188/1708434
title: Materials Data on Li2Mn3(BO3)3 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: 10.17188/1708435
title: Materials Data on Ho2TlHg by Materials Project

description: Ho2HgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Tl atoms. All Ho–Hg bond lengths are 3.24 Å. All Ho–Tl bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1708436
title: Materials Data on Nd(PO5)2 by Materials Project

description: Nd(PO5)2 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Nd is bonded to eight O atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.36–2.54 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent NdO8 hexagonal bipyramids and an edgeedge with one PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.65 Å) P–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in an L-shaped geometry to two equivalent P atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Nd and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Nd and one O atom.
DOI: 10.6084/m9.figshare.13681777
title: Supplemental information.docx

description: Supplemental files description<br>
DOI: 10.6084/m9.figshare.13681777.v1
title: Supplemental information.docx

description: Supplemental files description<br>
DOI: 10.17188/1708437
title: Materials Data on HfMnGe by Materials Project

description: HfMnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Mn and five Ge atoms. There are two shorter (2.98 Å) and four longer (3.06 Å) Hf–Mn bond lengths. All Hf–Ge bond lengths are 2.77 Å. Mn is bonded in a 4-coordinate geometry to six equivalent Hf and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.59 Å) Mn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Mn atoms.
DOI: 10.17188/1708438
title: Materials Data on NaHO by Materials Project

description: NaOH crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. All Na–O bond lengths are 2.36 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one H1+ atom.
DOI: 10.17188/1708440
title: Materials Data on K8NbSnAs5 by Materials Project

description: K8NbSnAs5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.33–3.74 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to one K1+ and five As3- atoms. The K–K bond length is 3.57 Å. There are a spread of K–As bond distances ranging from 3.38–3.95 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.32–3.69 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.47–3.82 Å. In the fifth K1+ site, K1+ is bonded to four As3- atoms to form distorted KAs4 tetrahedra that share an edgeedge with one KAs4 tetrahedra and an edgeedge with one NbAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.37–3.43 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.36–3.66 Å. In the seventh K1+ site, K1+ is bonded in a 3-coordinate geometry to three As3- atoms. There are a spread of K–As bond distances ranging from 3.36–3.56 Å. In the eighth K1+ site, K1+ is bonded in a 5-coordinate geometry to one K1+ and five As3- atoms. There are a spread of K–As bond distances ranging from 3.27–3.64 Å. Nb5+ is bonded to four As3- atoms to form NbAs4 tetrahedra that share an edgeedge with one KAs4 tetrahedra. There are a spread of Nb–As bond distances ranging from 2.49–2.58 Å. Sn2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Sn–As bond distances ranging from 2.67–2.79 Å. There are five inequivalent As3- sites. In the first As3- site, As3- is bonded in a 1-coordinate geometry to five K1+, one Nb5+, and one Sn2+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to eight K1+ and one Nb5+ atom. In the third As3- site, As3- is bonded in a 8-coordinate geometry to seven K1+ and one Sn2+ atom. In the fourth As3- site, As3- is bonded in a 1-coordinate geometry to seven K1+, one Nb5+, and one Sn2+ atom. In the fifth As3- site, As3- is bonded in a 1-coordinate geometry to seven K1+ and one Nb5+ atom.
DOI: 10.17188/1708441
title: Materials Data on Li3VFeP2(HO5)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: 10.17188/1708442
title: Materials Data on MoP2PbO8 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: 10.17188/1708443
title: Materials Data on H19PbC15S2N3O5 by Materials Project

description: (C3NH6)2PbC7NH7S2O3(CO)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four formaldehyde molecules; four trimethylamine molecules; and one PbC7NH7S2O3 ribbon oriented in the (1, 0, 0) direction. In the PbC7NH7S2O3 ribbon, Pb2+ is bonded to four S2- and three O2- atoms to form distorted edge-sharing PbS4O3 pentagonal bipyramids. There are a spread of Pb–S bond distances ranging from 2.92–3.20 Å. There are a spread of Pb–O bond distances ranging from 2.80–2.99 Å. There are seven inequivalent C+0.13+ sites. In the first C+0.13+ site, C+0.13+ is bonded in a single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the second C+0.13+ site, C+0.13+ is bonded in a single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the third C+0.13+ site, C+0.13+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.25 Å. In the fourth C+0.13+ site, C+0.13+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.24 Å. In the fifth C+0.13+ site, C+0.13+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.35 Å. The C–H bond length is 1.11 Å. The C–O bond length is 1.25 Å. In the sixth C+0.13+ site, C+0.13+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.45 Å. All C–H bond lengths are 1.10 Å. In the seventh C+0.13+ site, C+0.13+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. N3- is bonded in a trigonal planar geometry to three C+0.13+ atoms. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.13+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one C+0.13+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one C+0.13+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C+0.13+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one C+0.13+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one C+0.13+ atom.
DOI: 10.17188/1708444
title: Materials Data on Yb3GdSb3 by Materials Project

description: Yb3GdSb3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded to six equivalent Sb3- atoms to form distorted YbSb6 octahedra that share corners with three equivalent GdSb6 octahedra, corners with twelve YbSb6 octahedra, edges with three equivalent YbSb6 octahedra, edges with three equivalent GdSb6 octahedra, a faceface with one GdSb6 octahedra, and faces with four YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.20 Å) and three longer (3.40 Å) Yb–Sb bond lengths. In the second Yb2+ site, Yb2+ is bonded to six equivalent Sb3- atoms to form distorted YbSb6 octahedra that share corners with three equivalent GdSb6 octahedra, corners with twelve YbSb6 octahedra, edges with six YbSb6 octahedra, faces with two YbSb6 octahedra, and faces with three equivalent GdSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (3.21 Å) and three longer (3.38 Å) Yb–Sb bond lengths. In the third Yb2+ site, Yb2+ is bonded to six equivalent Sb3- atoms to form distorted YbSb6 octahedra that share corners with three equivalent GdSb6 octahedra, corners with twelve YbSb6 octahedra, edges with three equivalent YbSb6 octahedra, edges with three equivalent GdSb6 octahedra, a faceface with one GdSb6 octahedra, and faces with four YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.20 Å) and three longer (3.39 Å) Yb–Sb bond lengths. Gd3+ is bonded to six equivalent Sb3- atoms to form distorted GdSb6 octahedra that share corners with six equivalent GdSb6 octahedra, corners with nine YbSb6 octahedra, edges with six YbSb6 octahedra, and faces with five YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (3.18 Å) and three longer (3.40 Å) Gd–Sb bond lengths. Sb3- is bonded to six Yb2+ and two equivalent Gd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SbYb6Gd2 hexagonal bipyramids.
DOI: 10.17188/1708445
title: Materials Data on Ca7Mg2N6 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: 10.17188/1708446
title: Materials Data on La2Ga5Au3 by Materials Project

description: La2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six Au and ten Ga atoms. There are four shorter (3.35 Å) and two longer (3.48 Å) La–Au bond lengths. There are a spread of La–Ga bond distances ranging from 3.47–3.60 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 3-coordinate geometry to four equivalent La, two equivalent Au, and three Ga atoms. Both Au–Au bond lengths are 2.74 Å. There are one shorter (2.50 Å) and two longer (2.74 Å) Au–Ga bond lengths. In the second Au site, Au is bonded to four equivalent La, four equivalent Au, and four equivalent Ga atoms to form AuLa4Ga4Au4 cuboctahedra that share corners with four equivalent AuLa4Ga4Au4 cuboctahedra, faces with four equivalent AuLa4Ga4Au4 cuboctahedra, and faces with four equivalent GaLa4Au8 tetrahedra. All Au–Ga bond lengths are 3.17 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent La, one Au, and four Ga atoms. In the fourth Ga site, Ga is bonded to four equivalent La and eight Au atoms to form distorted GaLa4Au8 tetrahedra that share corners with four equivalent GaLa4Au8 tetrahedra, faces with four equivalent AuLa4Ga4Au4 cuboctahedra, and faces with four equivalent GaLa4Au8 tetrahedra.
DOI: 10.17188/1708447
title: Materials Data on LiLaSn2 by Materials Project

description: LiLaSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. All Li–La bond lengths are 3.53 Å. There are a spread of Li–Sn bond distances ranging from 2.56–2.70 Å. La is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.46–3.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent La atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent La atoms to form a mixture of distorted edge and face-sharing SnLi4La4 tetrahedra.
DOI: 10.17188/1708448
title: Materials Data on Dy5Pb4 by Materials Project

description: Dy5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six Pb atoms to form a mixture of distorted face, edge, and corner-sharing DyPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Dy–Pb bond distances ranging from 3.11–3.30 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Dy–Pb bond distances ranging from 3.15–3.90 Å. In the third Dy site, Dy is bonded to six Pb atoms to form a mixture of face and corner-sharing DyPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Dy–Pb bond distances ranging from 3.12–3.27 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Dy atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Dy atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Dy atoms.