cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1307735
title: Materials Data on Mn2O3F by Materials Project

description: Mn2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to four O2- and two equivalent F1- atoms to form MnO4F2 octahedra that share corners with eight equivalent MnO5F octahedra and edges with two equivalent MnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There is two shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. Both Mn–F bond lengths are 2.09 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to five O2- and one F1- atom to form MnO5F octahedra that share corners with eight equivalent MnO4F2 octahedra and edges with two equivalent MnO5F octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There is one shorter (1.90 Å) and four longer (1.94 Å) Mn–O bond length. The Mn–F bond length is 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.50+ atoms. F1- is bonded in a 3-coordinate geometry to three Mn+3.50+ atoms.
DOI: 10.17188/1307736
title: Materials Data on LiMnP2HO7 by Materials Project

description: LiMnP2HO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.65 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.03–2.42 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 three equivalent MnO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–53°. There are a spread of P–O bond distances ranging from 1.50–1.69 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.49 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Mn2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mn2+, and one P5+ atom.
DOI: 10.17188/1307738
title: Materials Data on Li2MnSiO4 by Materials Project

description: Li2MnSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent MnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.06 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent MnO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one MnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.13 Å. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.05–2.13 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.65–1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Mn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2MnSi tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Mn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2MnSi tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Mn2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2MnSi trigonal pyramids. In the fourth O2- site, O2- is bonded to two Li1+, one Mn2+, and one Si4+ atom to form corner-sharing OLi2MnSi tetrahedra.
DOI: 10.17188/1307742
title: Materials Data on KZn13 by Materials Project

description: KZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All K–Zn bond lengths are 3.60 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent K and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.96 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.
DOI: 10.17188/1307743
title: Materials Data on Ba(GaSe2)2 by Materials Project

description: BaGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.42 Å) and four longer (3.45 Å) Ba–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.44–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Ba2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeBa2Ga2 trigonal pyramids.
DOI: 10.17188/1307744
title: Materials Data on Mg3As2 by Materials Project

description: Mg3As2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing MgAs4 tetrahedra. All Mg–As bond lengths are 2.69 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Mg2+ atoms.
DOI: 10.17188/1307745
title: Materials Data on Zn3As2 by Materials Project

description: Zn3As2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.58 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.
DOI: 10.17188/1307746
title: Materials Data on Zn3P2 by Materials Project

description: Zn3P2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. All Zn–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.
DOI: 10.17188/1307747
title: Materials Data on Ni2Mo by Materials Project

description: Ni2Mo crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo is bonded to two equivalent Mo and ten equivalent Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two equivalent MoNi10Mo2 cuboctahedra, corners with ten equivalent NiNi7Mo5 cuboctahedra, edges with twelve equivalent MoNi10Mo2 cuboctahedra, edges with twelve equivalent NiNi7Mo5 cuboctahedra, faces with four equivalent MoNi10Mo2 cuboctahedra, and faces with fourteen equivalent NiNi7Mo5 cuboctahedra. Both Mo–Mo bond lengths are 2.65 Å. There are two shorter (2.56 Å) and eight longer (2.61 Å) Mo–Ni bond lengths. Ni is bonded to five equivalent Mo and seven equivalent Ni atoms to form distorted NiNi7Mo5 cuboctahedra that share corners with five equivalent MoNi10Mo2 cuboctahedra, corners with seven equivalent NiNi7Mo5 cuboctahedra, edges with six equivalent MoNi10Mo2 cuboctahedra, edges with eighteen equivalent NiNi7Mo5 cuboctahedra, faces with seven equivalent MoNi10Mo2 cuboctahedra, and faces with eleven equivalent NiNi7Mo5 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.58–2.65 Å.
DOI: 10.17188/1307748
title: Materials Data on CrNi2 by Materials Project

description: Ni2Cr crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr is bonded to two equivalent Cr and ten equivalent Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two equivalent CrCr2Ni10 cuboctahedra, corners with ten equivalent NiCr5Ni7 cuboctahedra, edges with twelve equivalent CrCr2Ni10 cuboctahedra, edges with twelve equivalent NiCr5Ni7 cuboctahedra, faces with four equivalent CrCr2Ni10 cuboctahedra, and faces with fourteen equivalent NiCr5Ni7 cuboctahedra. Both Cr–Cr bond lengths are 2.47 Å. There are two shorter (2.48 Å) and eight longer (2.49 Å) Cr–Ni bond lengths. Ni is bonded to five equivalent Cr and seven equivalent Ni atoms to form NiCr5Ni7 cuboctahedra that share corners with five equivalent CrCr2Ni10 cuboctahedra, corners with seven equivalent NiCr5Ni7 cuboctahedra, edges with six equivalent CrCr2Ni10 cuboctahedra, edges with eighteen equivalent NiCr5Ni7 cuboctahedra, faces with seven equivalent CrCr2Ni10 cuboctahedra, and faces with eleven equivalent NiCr5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.50 Å.
DOI: 10.17188/1307749
title: Materials Data on AlPO4 by Materials Project

description: AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.75 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All P–O bond lengths are 1.54 Å. O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.
DOI: 10.17188/1307750
title: Materials Data on AlAsO4 by Materials Project

description: AlAsO4 is quartz (alpha)-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. All Al–O bond lengths are 1.76 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All As–O bond lengths are 1.71 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one As5+ atom.
DOI: 10.17188/1307752
title: Materials Data on NaTl3(SO3)2 by Materials Project

description: NaTl3(SO3)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. There are two inequivalent Tl+2.33+ sites. In the first Tl+2.33+ site, Tl+2.33+ is bonded in a distorted q6 geometry to nine equivalent O2- atoms. There are six shorter (3.02 Å) and three longer (3.11 Å) Tl–O bond lengths. In the second Tl+2.33+ site, Tl+2.33+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.97 Å. S2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 2-coordinate geometry to one Na1+, four Tl+2.33+, and one S2+ atom.
DOI: 10.17188/1307753
title: Materials Data on TiB by Materials Project

description: TiB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Ti–B bond distances ranging from 2.35–2.55 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Ti3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å.
DOI: 10.17188/1307754
title: Materials Data on MgUO4 by Materials Project

description: MgUO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent UO6 octahedra and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are two shorter (2.07 Å) and four longer (2.20 Å) Mg–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with eight equivalent MgO6 octahedra and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of U–O bond distances ranging from 1.97–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one U6+ atom.
DOI: 10.17188/1307755
title: Materials Data on ZrS by Materials Project

description: SZr is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr2+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of Zr–S bond distances ranging from 2.63–2.88 Å. S2- is bonded in a 6-coordinate geometry to six equivalent Zr2+ atoms.
DOI: 10.17188/1307756
title: Materials Data on CrCuSe2 by Materials Project

description: CuCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are three shorter (2.54 Å) and three longer (2.71 Å) Cr–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 trigonal pyramids. There are one shorter (2.34 Å) and three longer (2.48 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr3+ and three equivalent Cu1+ atoms to form edge-sharing SeCr3Cu3 octahedra. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu1+ atom.
DOI: 10.17188/1307757
title: Materials Data on Rb2Sn2O3 by Materials Project

description: Rb2Sn2O3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.12 Å. In the second Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.13 Å. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.08 Å. O2- is bonded to four Rb1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and face-sharing ORb4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1307758
title: Materials Data on PtO2 by Materials Project

description: PtO2 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two PtO2 sheets oriented in the (0, 0, 1) direction. Pt4+ is bonded to six equivalent O2- atoms to form edge-sharing PtO6 octahedra. All Pt–O bond lengths are 2.06 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt4+ atoms.
DOI: 10.17188/1307759
title: Materials Data on U3P4 by Materials Project

description: U3P4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U4+ is bonded to eight equivalent P3- atoms to form a mixture of distorted face, edge, and corner-sharing UP8 hexagonal bipyramids. There are four shorter (2.80 Å) and four longer (2.86 Å) U–P bond lengths. P3- is bonded to six equivalent U4+ atoms to form a mixture of distorted face, edge, and corner-sharing PU6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.
DOI: 10.17188/1307760
title: Materials Data on GdO by Materials Project

description: GdO is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded to four equivalent O atoms to form corner-sharing GdO4 tetrahedra. All Gd–O bond lengths are 2.33 Å. O is bonded to four equivalent Gd atoms to form corner-sharing OGd4 tetrahedra.
DOI: 10.17188/1307761
title: Materials Data on LiGaGe by Materials Project

description: LiGaGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to three equivalent Ga and three equivalent Ge atoms. All Li–Ga bond lengths are 2.80 Å. All Li–Ge bond lengths are 2.75 Å. Ga is bonded in a 7-coordinate geometry to three equivalent Li and four equivalent Ge atoms. There are three shorter (2.57 Å) and one longer (2.64 Å) Ga–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to three equivalent Li and four equivalent Ga atoms.
DOI: 10.17188/1307762
title: Materials Data on Ba(MgSi)2 by Materials Project

description: BaMg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Si atoms. All Ba–Mg bond lengths are 3.62 Å. All Ba–Si bond lengths are 3.53 Å. Mg is bonded to four equivalent Ba and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing MgBa4Si4 tetrahedra. All Mg–Si bond lengths are 2.79 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Si atom. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1307763
title: Materials Data on Ba(MgGe)2 by Materials Project

description: Ba(MgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.71 Å. All Ba–Ge bond lengths are 3.58 Å. Mg is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of corner, edge, and face-sharing MgBa4Ge4 tetrahedra. All Mg–Ge bond lengths are 2.81 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.67 Å.
DOI: 10.17188/1307764
title: Materials Data on Sr(CuSi)2 by Materials Project

description: SrCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Si4- atoms to form SrSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent SrSi8 hexagonal bipyramids. All Sr–Si bond lengths are 3.21 Å. Cu3+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent SrSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.45 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu3+, and one Si4- atom. The Si–Si bond length is 2.45 Å.
DOI: 10.17188/1307765
title: Materials Data on Ca(AgGe)2 by Materials Project

description: Ca(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Ca–Ag bond lengths are 3.52 Å. All Ca–Ge bond lengths are 3.33 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Ca, four equivalent Ag, and four equivalent Ge atoms. All Ag–Ag bond lengths are 3.10 Å. All Ag–Ge bond lengths are 2.67 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.43 Å.
DOI: 10.17188/1307766
title: Materials Data on Sr(AgGe)2 by Materials Project

description: Sr(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Sr–Ag bond lengths are 3.54 Å. All Sr–Ge bond lengths are 3.42 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Sr and four equivalent Ge atoms. All Ag–Ge bond lengths are 2.70 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.49 Å.
DOI: 10.17188/1307767
title: Materials Data on CoTe by Materials Project

description: CoTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Te bond lengths are 2.62 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Co2+ atoms.
DOI: 10.17188/1307768
title: Materials Data on Sr(SiAg)2 by Materials Project

description: Sr(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Si4- atoms to form SrSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent SrSi8 hexagonal bipyramids. All Sr–Si bond lengths are 3.34 Å. Ag3+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent SrSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.65 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Ag3+, and one Si4- atom. The Si–Si bond length is 2.34 Å.
DOI: 10.17188/1307769
title: Materials Data on Sr(CdGe)2 by Materials Project

description: Sr(CdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Cd and eight equivalent Ge atoms. All Sr–Cd bond lengths are 3.74 Å. All Sr–Ge bond lengths are 3.48 Å. Cd is bonded to four equivalent Sr and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CdSr4Ge4 tetrahedra. All Cd–Ge bond lengths are 2.84 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.56 Å.