cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195659
title: Materials Data on PbS by Materials Project

description: PbS crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one PbS sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to five equivalent S2- atoms to form a mixture of edge and corner-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.70–3.10 Å. S2- is bonded in a single-bond geometry to five equivalent Pb2+ atoms.
DOI: 10.17188/1195660
title: Materials Data on La(FeGe)2 by Materials Project

description: LaFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All La–Fe bond lengths are 3.40 Å. All La–Ge bond lengths are 3.20 Å. Fe is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing FeLa4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.73 Å.
DOI: 10.17188/1195661
title: Materials Data on Ba3NaIr2O9 by Materials Project

description: Ba3NaIr2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with six equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 9–13°. There are two shorter (2.25 Å) and four longer (2.28 Å) Na–O bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with four equivalent BaO12 cuboctahedra, faces with three equivalent NaO6 octahedra, and faces with four equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 4–16°. There are a spread of Ba–O bond distances ranging from 2.82–3.31 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.33 Å. Ir is bonded to six O atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent NaO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedra tilt angles range from 9–13°. There are a spread of Ir–O bond distances ranging from 1.91–2.07 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Na, four Ba, and one Ir atom. In the second O site, O is bonded in a 2-coordinate geometry to four Ba and two equivalent Ir atoms. In the third O site, O is bonded to four Ba and two equivalent Ir atoms to form distorted corner-sharing OBa4Ir2 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O is bonded in a 2-coordinate geometry to one Na, four Ba, and one Ir atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Na, four Ba, and one Ir atom.
DOI: 10.17188/1195662
title: Materials Data on Nb3Sb by Materials Project

description: Nb3Sb crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sb atoms. Both Nb–Nb bond lengths are 2.66 Å. All Nb–Sb bond lengths are 2.97 Å. Sb is bonded to twelve equivalent Nb atoms to form a mixture of edge and face-sharing SbNb12 cuboctahedra.
DOI: 10.17188/1195663
title: Materials Data on NdCoGe by Materials Project

description: NdCoGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to four equivalent Co and five equivalent Ge atoms. All Nd–Co bond lengths are 2.98 Å. There are four shorter (3.05 Å) and one longer (3.53 Å) Nd–Ge bond lengths. Co is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. All Co–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Nd and four equivalent Co atoms.
DOI: 10.17188/1195664
title: Materials Data on PrSb2Pd by Materials Project

description: PrPdSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.33 Å) and four longer (3.39 Å) Pr–Sb bond lengths. Pd2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.72 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pd2+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.19 Å.
DOI: 10.17188/1195665
title: Materials Data on SrIn2Pt by Materials Project

description: SrPtIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 1-coordinate geometry to three equivalent Pt and ten equivalent In atoms. There are one shorter (3.11 Å) and two longer (3.31 Å) Sr–Pt bond lengths. There are a spread of Sr–In bond distances ranging from 3.47–3.63 Å. Pt is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.87 Å) Pt–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Sr and three equivalent Pt atoms.
DOI: 10.17188/1195666
title: Materials Data on GdMg3 by Materials Project

description: Mg3Gd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Gd atoms. All Mg–Mg bond lengths are 3.15 Å. All Mg–Gd bond lengths are 3.15 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Gd atoms. All Mg–Gd bond lengths are 3.64 Å. Gd is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1195667
title: Materials Data on TbSiRh by Materials Project

description: TbRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Rh and six equivalent Si atoms. There are a spread of Tb–Rh bond distances ranging from 2.88–3.01 Å. There are a spread of Tb–Si bond distances ranging from 3.16–3.29 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Si atoms. All Rh–Si bond lengths are 2.58 Å. Si is bonded to six equivalent Tb, four equivalent Rh, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing SiTb6Si2Rh4 cuboctahedra. Both Si–Si bond lengths are 2.59 Å.
DOI: 10.17188/1195668
title: Materials Data on CoSn by Materials Project

description: CoSn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Co is bonded in a 10-coordinate geometry to four equivalent Co and six Sn atoms. All Co–Co bond lengths are 2.65 Å. There are four shorter (2.61 Å) and two longer (2.65 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Co atoms. In the second Sn site, Sn is bonded in a hexagonal planar geometry to six equivalent Co atoms.
DOI: 10.17188/1195670
title: Materials Data on HoMgIn by Materials Project

description: MgHoIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four In atoms to form a mixture of distorted edge and corner-sharing MgIn4 tetrahedra. There are two shorter (2.91 Å) and two longer (2.96 Å) Mg–In bond lengths. Ho is bonded in a 5-coordinate geometry to five In atoms. There are four shorter (3.23 Å) and one longer (3.26 Å) Ho–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ho atoms. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Ho atoms.
DOI: 10.17188/1195671
title: Materials Data on ScIn3 by Materials Project

description: In3Sc is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent In atoms to form ScIn12 cuboctahedra that share corners with twelve equivalent ScIn12 cuboctahedra, edges with twenty-four equivalent InSc4In8 cuboctahedra, faces with six equivalent ScIn12 cuboctahedra, and faces with twelve equivalent InSc4In8 cuboctahedra. All Sc–In bond lengths are 3.21 Å. In is bonded to four equivalent Sc and eight equivalent In atoms to form distorted InSc4In8 cuboctahedra that share corners with twelve equivalent InSc4In8 cuboctahedra, edges with eight equivalent ScIn12 cuboctahedra, edges with sixteen equivalent InSc4In8 cuboctahedra, faces with four equivalent ScIn12 cuboctahedra, and faces with fourteen equivalent InSc4In8 cuboctahedra. All In–In bond lengths are 3.21 Å.
DOI: 10.17188/1195672
title: Materials Data on TbHg by Materials Project

description: TbHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.
DOI: 10.17188/1195673
title: Materials Data on YbSbPd by Materials Project

description: YbPdSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are a spread of Yb–Pd bond distances ranging from 3.18–3.44 Å. There are a spread of Yb–Sb bond distances ranging from 3.22–3.38 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.71–2.86 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.
DOI: 10.17188/1195674
title: Materials Data on V2P by Materials Project

description: V2P is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of V–P bond distances ranging from 2.33–2.47 Å. In the second V site, V is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of V–P bond distances ranging from 2.44–2.67 Å. P is bonded in a 9-coordinate geometry to nine V atoms.
DOI: 10.17188/1195675
title: Materials Data on Pr(MnGe)2 by Materials Project

description: PrMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Pr–Ge bond lengths are 3.17 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.76 Å.
DOI: 10.17188/1195676
title: Materials Data on Pr3SnC by Materials Project

description: Pr3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one medicinal charcoal molecule and one Pr3Sn framework. In the Pr3Sn framework, Pr is bonded in a linear geometry to two equivalent Sn atoms. Both Pr–Sn bond lengths are 2.93 Å. Sn is bonded to six equivalent Pr atoms to form corner-sharing SnPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195677
title: Materials Data on Cu3AsS4 by Materials Project

description: Cu3AsS4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Cu–S bond lengths are 2.28 Å. As5+ is bonded to four equivalent S2- atoms to form AsS4 tetrahedra that share corners with twelve equivalent CuS4 tetrahedra. All As–S bond lengths are 2.35 Å. S2- is bonded to three equivalent Cu1+ and one As5+ atom to form corner-sharing SCu3As tetrahedra.
DOI: 10.17188/1195678
title: Materials Data on Ba2In2O5 by Materials Project

description: Ba2In2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–3.25 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with two equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are two shorter (2.07 Å) and two longer (2.12 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. There are four shorter (2.18 Å) and two longer (2.36 Å) In–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and two equivalent In3+ atoms to form distorted OBa2In2 tetrahedra that share corners with eight equivalent OBa4In2 octahedra and corners with two equivalent OBa2In2 tetrahedra. The corner-sharing octahedra tilt angles range from 20–79°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two In3+ atoms. In the third O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent In3+ atoms to form distorted OBa4In2 octahedra that share corners with two equivalent OBa4In2 octahedra, corners with four equivalent OBa2In2 tetrahedra, edges with two equivalent OBa4In2 octahedra, and faces with four equivalent OBa4In2 octahedra. The corner-sharing octahedral tilt angles are 2°.
DOI: 10.17188/1195679
title: Materials Data on U(Al5Fe)2 by Materials Project

description: UFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Fe and sixteen Al atoms. All U–Fe bond lengths are 3.41 Å. There are a spread of U–Al bond distances ranging from 3.10–3.60 Å. Fe is bonded in a 10-coordinate geometry to two equivalent U and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.52–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one U, two equivalent Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.00 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one U, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.58–2.80 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.79 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms.
DOI: 10.17188/1195680
title: Materials Data on CaPb3 by Materials Project

description: Pb3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Pb atoms to form a mixture of corner and face-sharing CaPb12 cuboctahedra. All Ca–Pb bond lengths are 3.51 Å. Pb is bonded in a square co-planar geometry to four equivalent Ca atoms.
DOI: 10.17188/1195681
title: Materials Data on Ce3PbC by Materials Project

description: Ce3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Ce3Pb framework. In the Ce3Pb framework, Ce is bonded in a linear geometry to two equivalent Pb atoms. Both Ce–Pb bond lengths are 2.99 Å. Pb is bonded to six equivalent Ce atoms to form corner-sharing PbCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195682
title: Materials Data on GaCo2Ni by Materials Project

description: Co2NiGa is alpha La-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Ga atoms to form CoGa4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, and faces with ten equivalent CoGa4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.49 Å. All Co–Ni bond lengths are 2.57 Å. All Co–Ga bond lengths are 2.57 Å. Ni is bonded to eight equivalent Co and four equivalent Ga atoms to form NiGa4Co8 cuboctahedra that share corners with twelve equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, faces with six equivalent NiGa4Co8 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra. All Ni–Ga bond lengths are 2.49 Å. Ga is bonded to eight equivalent Co and four equivalent Ni atoms to form GaCo8Ni4 cuboctahedra that share corners with twelve equivalent GaCo8Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with six equivalent GaCo8Ni4 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra.
DOI: 10.17188/1195683
title: Materials Data on Cr2As by Materials Project

description: Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.
DOI: 10.17188/1195684
title: Materials Data on GdMnSi by Materials Project

description: GdMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Gd–Mn bond lengths are 3.11 Å. There are four shorter (2.95 Å) and one longer (3.37 Å) Gd–Si bond lengths. Mn is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnGd4Si4 tetrahedra. All Mn–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Mn atoms.
DOI: 10.17188/1195704
title: Materials Data on InAgSe2 by Materials Project

description: AgInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Ag2 tetrahedra.
DOI: 10.17188/1195705
title: Materials Data on NaPb3 by Materials Project

description: NaPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing NaPb12 cuboctahedra. All Na–Pb bond lengths are 3.50 Å. Pb is bonded in a square co-planar geometry to four equivalent Na atoms.
DOI: 10.17188/1195706
title: Materials Data on YSiNi by Materials Project

description: YNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Si4- atoms to form distorted YSi6 octahedra that share corners with twelve equivalent YSi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent YSi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent YSi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Y–Si bond distances ranging from 2.92–3.06 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent YSi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent YSi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent YSi6 octahedra. The corner-sharing octahedra tilt angles range from 5–66°. There are a spread of Ni–Si bond distances ranging from 2.41–2.61 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Y3+ and four equivalent Ni1+ atoms.
DOI: 10.17188/1195707
title: Materials Data on Ga3Co by Materials Project

description: CoGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Co is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.37–2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two equivalent Co atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to three equivalent Co atoms.
DOI: 10.17188/1195708
title: Materials Data on Ni3Se2 by Materials Project

description: Ni3Se2 is Hazelwoodite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ni+1.33+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing NiSe4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.39 Å) Ni–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Ni+1.33+ atoms.
DOI: 10.17188/1195709
title: Materials Data on CeS by Materials Project

description: CeS crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CeS sheet oriented in the (0, 0, 1) direction. Ce is bonded to five equivalent S atoms to form a mixture of distorted corner and edge-sharing CeS5 square pyramids. There are four shorter (2.83 Å) and one longer (2.86 Å) Ce–S bond lengths. S is bonded to five equivalent Ce atoms to form a mixture of corner and edge-sharing SCe5 square pyramids.