cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1674742
title: Materials Data on AsPbO4 by Materials Project

description: PbAsO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Pb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pb–O bond distances ranging from 2.51–2.85 Å. As is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.71 Å) and two longer (1.75 Å) As–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Pb and one As atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Pb and one As atom.
DOI: 10.17188/1674743
title: Materials Data on LiMnOF2 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: 10.17188/1674744
title: Materials Data on Ba4Bi(PbO4)3 by Materials Project

description: Ba4Bi(PbO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with four equivalent PbO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.99–3.17 Å. In the second Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, and faces with eight PbO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.08–3.15 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six O atoms to form PbO6 octahedra that share a cornercorner with one BiO6 octahedra, corners with five PbO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Pb–O bond distances ranging from 2.17–2.23 Å. In the second Pb site, Pb is bonded to six O atoms to form PbO6 octahedra that share corners with six PbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.18 Å) and two longer (2.20 Å) Pb–O bond lengths. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent PbO6 octahedra, corners with four equivalent BiO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.17 Å) and four longer (2.18 Å) Bi–O bond lengths. There are five inequivalent O sites. In the first O site, O is bonded to four Ba and two equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the second O site, O is bonded to four equivalent Ba and two equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. In the third O site, O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Bi atoms. In the fourth O site, O is bonded to four equivalent Ba, one Pb, and one Bi atom to form distorted OBa4BiPb octahedra that share corners with fourteen OBa4BiPb octahedra, edges with four equivalent OBa4BiPb octahedra, and faces with four equivalent OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the fifth O site, O is bonded to four equivalent Ba and two Pb atoms to form distorted OBa4Pb2 octahedra that share corners with twenty-two OBa4BiPb octahedra, edges with four equivalent OBa4Pb2 octahedra, and faces with eight OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1674745
title: Materials Data on ZnGaCuSe3 by Materials Project

description: CuGaZnSe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra, corners with five equivalent ZnSe4 tetrahedra, and corners with five equivalent GaSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.44 Å. Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with two equivalent ZnSe4 tetrahedra, corners with five equivalent CuSe4 tetrahedra, and corners with five equivalent GaSe4 tetrahedra. There are a spread of Zn–Se bond distances ranging from 2.46–2.51 Å. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with two equivalent GaSe4 tetrahedra, corners with five equivalent CuSe4 tetrahedra, and corners with five equivalent ZnSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.51 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Ga3+ atom to form corner-sharing SeZnGaCu2 tetrahedra. In the second Se2- site, Se2- is bonded to one Cu1+, two equivalent Zn2+, and one Ga3+ atom to form corner-sharing SeZn2GaCu tetrahedra. In the third Se2- site, Se2- is bonded to one Cu1+, one Zn2+, and two equivalent Ga3+ atoms to form corner-sharing SeZnGa2Cu tetrahedra.
DOI: 10.17188/1674746
title: Materials Data on Cr2CuS4 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: 10.17188/1674747
title: Materials Data on MgO 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: 10.17188/1674748
title: Materials Data on BeGaPd2 by Materials Project

description: BePd2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BePd2Ga ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Pd atoms. Both Be–Pd bond lengths are 2.10 Å. Pd is bonded in a linear geometry to one Be and one Ga atom. The Pd–Ga bond length is 2.39 Å. Ga is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1674749
title: Materials Data on Cu3(P3O16)2 by Materials Project

description: Cu3(P3O16)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.46 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to five O atoms. There are a spread of Cu–O bond distances ranging from 1.73–2.72 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.66 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CuO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of P–O bond distances ranging from 1.48–1.64 Å. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CuO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of P–O bond distances ranging from 1.47–1.64 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Cu and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to two P atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Cu and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one P atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.42 Å. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one P atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Cu and one O atom. The O–O bond length is 1.39 Å. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.24 Å. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Cu and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one O atom. In the fifteenth O site, O is bonded in a single-bond geometry to one O atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Cu atom.
DOI: 10.17188/1674750
title: Materials Data on La2MgCd by Materials Project

description: MgLa2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent La atoms. All Mg–La bond lengths are 3.42 Å. La is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All La–Cd bond lengths are 3.42 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1674751
title: Materials Data on Mg14FeSb by Materials Project

description: Mg14FeSb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Fe atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent SbMg12 cuboctahedra, corners with six equivalent MgMg10Fe2 cuboctahedra, edges with two equivalent FeMg12 cuboctahedra, edges with sixteen MgMg10Fe2 cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with sixteen MgMg10Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. Both Mg–Fe bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Sb atoms. There are two shorter (3.14 Å) and four longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Sb bond lengths are 3.14 Å. In the third Mg site, Mg is bonded to ten Mg, one Fe, and one Sb atom to form distorted MgMg10FeSb cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with two equivalent FeMg12 cuboctahedra, edges with two equivalent SbMg12 cuboctahedra, edges with ten MgMg10Fe2 cuboctahedra, a faceface with one FeMg12 cuboctahedra, a faceface with one SbMg12 cuboctahedra, and faces with thirteen MgMg10Fe2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.21 Å. The Mg–Fe bond length is 3.00 Å. The Mg–Sb bond length is 3.23 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg10Fe2 cuboctahedra, faces with three equivalent FeMg12 cuboctahedra, faces with three equivalent SbMg12 cuboctahedra, and faces with eleven MgMg10Fe2 cuboctahedra. Fe is bonded to twelve Mg atoms to form FeMg12 cuboctahedra that share corners with six equivalent FeMg12 cuboctahedra, edges with eighteen MgMg10Fe2 cuboctahedra, faces with two equivalent SbMg12 cuboctahedra, and faces with eighteen MgMg10Fe2 cuboctahedra. Sb is bonded to twelve Mg atoms to form SbMg12 cuboctahedra that share corners with six equivalent SbMg12 cuboctahedra, corners with twelve equivalent MgMg10Fe2 cuboctahedra, edges with twelve equivalent MgMg10FeSb cuboctahedra, faces with two equivalent FeMg12 cuboctahedra, and faces with twelve MgMg12 cuboctahedra.
DOI: 10.17188/1674752
title: Materials Data on Fe2Ni(PO4)2 by Materials Project

description: Fe2Ni(PO4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with six FeO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one FeO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. There are a spread of Fe–O bond distances ranging from 2.05–2.39 Å. In the second Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with two equivalent NiO6 octahedra, corners with two PO4 tetrahedra, an edgeedge with one FeO6 octahedra, an edgeedge with one NiO6 octahedra, and edges with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–64°. There are a spread of Fe–O bond distances ranging from 2.13–2.20 Å. Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent NiO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one FeO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–64°. There are a spread of Ni–O bond distances ranging from 2.04–2.30 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two FeO6 octahedra, corners with three equivalent NiO6 octahedra, an edgeedge with one FeO6 octahedra, and an edgeedge with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There is three shorter (1.55 Å) and one longer (1.60 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NiO6 octahedra, corners with four FeO6 octahedra, and edges with two FeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–57°. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe2+, one Ni2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ni2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Fe2+, two equivalent Ni2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Fe2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Fe2+, one Ni2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Fe2+ and one P5+ atom.
DOI: 10.17188/1674753
title: Materials Data on Mn2As2O9 by Materials Project

description: Mn2As2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five AsO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.74–2.18 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with five AsO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.75–2.23 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with five MnO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–60°. There are a spread of As–O bond distances ranging from 1.68–1.79 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with five MnO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of As–O bond distances ranging from 1.69–1.79 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn4+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn4+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn4+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mn4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn4+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn4+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms.
DOI: 10.17188/1674754
title: Materials Data on Fe(CuC6)2 by Materials Project

description: CuFeC6CuC6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four copper molecules, four hexamethyl iron molecules, and four CuC6 clusters. In each CuC6 cluster, Cu+1.50+ is bonded in an octahedral geometry to six equivalent C+0.50- atoms. All Cu–C bond lengths are 1.88 Å. C+0.50- is bonded in a distorted single-bond geometry to one Cu+1.50+ atom.
DOI: 10.17188/1674755
title: Materials Data on Sm(MnGe)6 by Materials Project

description: SmMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to eight Ge atoms to form distorted edge-sharing SmGe8 hexagonal bipyramids. There are two shorter (2.83 Å) and six longer (3.01 Å) Sm–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.72 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Sm, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.50 Å.
DOI: 10.17188/1674757
title: Materials Data on FeHg2C6S2(NO2)2 by Materials Project

description: Fe(Hg(NCS))2(CO)4 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight ferrum molecules; thirty-two formaldehyde molecules; and four Hg(NCS) ribbons oriented in the (0, 0, 1) direction. In each Hg(NCS) ribbon, Hg2+ is bonded in an L-shaped geometry to one N3- and one S2- atom. The Hg–N bond length is 2.90 Å. The Hg–S bond length is 2.61 Å. C+1.83+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a distorted single-bond geometry to one Hg2+ and one C+1.83+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C+1.83+ atom.
DOI: 10.17188/1674759
title: Materials Data on LiLa2Co2Sb2(PbO6)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: 10.17188/1674760
title: Materials Data on ZrSn by Materials Project

description: ZrSn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to five Zr and seven Sn atoms. There are a spread of Zr–Zr bond distances ranging from 3.00–3.31 Å. There are a spread of Zr–Sn bond distances ranging from 2.98–3.28 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.05–3.23 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted hexagonal planar geometry to six Zr atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Zr atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms.
DOI: 10.17188/1674761
title: Materials Data on CrN2 by Materials Project

description: CrN2 is quartz (beta) structured and crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.69 Å) and two longer (1.78 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms.
DOI: 10.17188/1674763
title: Materials Data on KCrO2 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: 10.17188/1674764
title: Materials Data on TbMgZn2 by Materials Project

description: MgTbZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mg–Zn bond lengths are 2.95 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tb–Zn bond lengths are 2.95 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tb atoms.
DOI: 10.17188/1674765
title: Materials Data on CeMoO2 by Materials Project

description: CeMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ce is bonded to six equivalent O atoms to form edge-sharing CeO6 octahedra. There are four shorter (2.45 Å) and two longer (2.47 Å) Ce–O bond lengths. Mo is bonded in a square co-planar geometry to four equivalent O atoms. There are two shorter (2.22 Å) and two longer (2.24 Å) Mo–O bond lengths. O is bonded to three equivalent Ce and two equivalent Mo atoms to form a mixture of distorted edge and corner-sharing OCe3Mo2 trigonal bipyramids.