cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207817
title: Materials Data on Na2GeS3 by Materials Project

description: Na2GeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five S2- atoms to form distorted NaS5 trigonal bipyramids that share corners with six equivalent NaS6 octahedra, corners with two equivalent GeS4 tetrahedra, corners with two equivalent NaS5 trigonal bipyramids, edges with two equivalent NaS6 octahedra, edges with two equivalent GeS4 tetrahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 3–84°. There are a spread of Na–S bond distances ranging from 2.85–3.05 Å. In the second Na1+ site, Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent NaS6 octahedra, corners with three equivalent GeS4 tetrahedra, corners with six equivalent NaS5 trigonal bipyramids, edges with three equivalent NaS6 octahedra, edges with two equivalent GeS4 tetrahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are a spread of Na–S bond distances ranging from 2.85–3.11 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent NaS6 octahedra, corners with two equivalent GeS4 tetrahedra, corners with two equivalent NaS5 trigonal bipyramids, edges with two equivalent NaS6 octahedra, and edges with two equivalent NaS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 26–66°. There are a spread of Ge–S bond distances ranging from 2.19–2.29 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Ge4+ atom. In the second S2- site, S2- is bonded to four Na1+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SNa4Ge trigonal bipyramids. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1207819
title: Materials Data on Er2(NiB2)3 by Materials Project

description: Er2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Er–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Ni2+, and three B2- atoms. There is one shorter (1.73 Å) and two longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Er3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.73 Å.
DOI: 10.17188/1207820
title: Materials Data on Sm(SiRu)2 by Materials Project

description: SmRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.25 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1207821
title: Materials Data on Sm(CoB)2 by Materials Project

description: SmCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Sm–B bond lengths are 2.96 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Co+1.50+ atoms.
DOI: 10.17188/1207822
title: Materials Data on TbZrSb by Materials Project

description: TbZrSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are four shorter (3.12 Å) and one longer (3.19 Å) Tb–Sb bond lengths. Zr is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Zr–Sb bond lengths are 3.08 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Zr atoms.
DOI: 10.17188/1207823
title: Materials Data on VCoSb by Materials Project

description: CoVSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V2+ is bonded in a 6-coordinate geometry to four equivalent Co1+ and six equivalent Sb3- atoms. All V–Co bond lengths are 2.52 Å. All V–Sb bond lengths are 2.91 Å. Co1+ is bonded to four equivalent V2+ and four equivalent Sb3- atoms to form edge-sharing CoV4Sb4 tetrahedra. All Co–Sb bond lengths are 2.52 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent V2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1207824
title: Materials Data on SrLaMnCoO6 by Materials Project

description: SrLaMnCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent CoO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.72–2.75 Å. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent CoO6 octahedra. There are a spread of La–O bond distances ranging from 2.72–2.75 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mn–O bond lengths are 1.92 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Co–O bond distances ranging from 1.93–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Mn3+, and one Co4+ atom.
DOI: 10.17188/1207825
title: Materials Data on Cd(CN)2 by Materials Project

description: Cd(CN)2 is Tungsten structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one cadmium molecule and one Cd(CN)4 cluster. In the Cd(CN)4 cluster, Cd2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Cd–N bond lengths are 2.19 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cd2+ and one C2+ atom.
DOI: 10.17188/1207826
title: Materials Data on Fe3H10S2NO14 by Materials Project

description: Fe3H6(SO7)2NH4 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ammonium molecules and three Fe3H6(SO7)2 sheets oriented in the (0, 0, 1) direction. In each Fe3H6(SO7)2 sheet, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra and corners with two SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of Fe–O bond distances ranging from 2.02–2.09 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is one shorter (1.47 Å) and three longer (1.50 Å) S–O bond length. In the second S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is one shorter (1.47 Å) and three longer (1.50 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Fe3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Fe3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one S2+ atom.
DOI: 10.17188/1207827
title: Materials Data on La2SO6 by Materials Project

description: La2O2SO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.87 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent La3+ and one S6+ atom. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one S6+ atom.
DOI: 10.17188/1207828
title: Materials Data on Sc3AlC by Materials Project

description: AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sc–Al bond lengths are 3.19 Å. Both Sc–C bond lengths are 2.26 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent AlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1207829
title: Materials Data on Si3N4 by Materials Project

description: Si3N4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SiN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.75–1.99 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a see-saw-like geometry to four equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.
DOI: 10.17188/1207830
title: Materials Data on Mg2Ge by Materials Project

description: Mg2Ge is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MgGe4 tetrahedra. All Mg–Ge bond lengths are 2.78 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1207831
title: Materials Data on BaSrLaBiO6 by Materials Project

description: BaSrLaBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent SrO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.12 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent BiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.32 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent SrO6 octahedra, and faces with four equivalent BiO6 octahedra. All La–O bond lengths are 3.12 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent SrO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, one Sr2+, two equivalent La3+, and one Bi5+ atom.
DOI: 10.17188/1207832
title: Materials Data on TaCu3Se4 by Materials Project

description: Cu3TaSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent Se2- atoms to form TaSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Ta–Se bond lengths are 2.46 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent TaSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SeTaCu3 tetrahedra.
DOI: 10.17188/1207833
title: Materials Data on MgCuAs by Materials Project

description: MgCuAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg2+ is bonded to five equivalent As3- atoms to form MgAs5 square pyramids that share corners with four equivalent MgAs5 square pyramids, corners with twelve equivalent CuAs4 tetrahedra, edges with eight equivalent MgAs5 square pyramids, and edges with four equivalent CuAs4 tetrahedra. There are one shorter (2.68 Å) and four longer (2.86 Å) Mg–As bond lengths. Cu1+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with twelve equivalent MgAs5 square pyramids, corners with four equivalent CuAs4 tetrahedra, edges with four equivalent MgAs5 square pyramids, and edges with four equivalent CuAs4 tetrahedra. All Cu–As bond lengths are 2.57 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mg2+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1207835
title: Materials Data on La2Sn2O7 by Materials Project

description: La2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded to eight O2- atoms to form distorted LaO8 hexagonal bipyramids that share edges with six equivalent LaO8 hexagonal bipyramids and edges with six equivalent SnO6 octahedra. There are two shorter (2.34 Å) and six longer (2.64 Å) La–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and edges with six equivalent LaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. All Sn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with sixteen OLa4 tetrahedra and edges with six equivalent OLa2Sn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sn2 tetrahedra.
DOI: 10.17188/1207836
title: Materials Data on CaLaTiMnO6 by Materials Project

description: CaLaTiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.74 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.74 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Ti–O bond distances ranging from 1.95–2.01 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Mn–O bond distances ranging from 1.93–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one La3+, one Ti4+, and one Mn3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Ti4+, and one Mn3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one La3+, one Ti4+, and one Mn3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Ti4+, and one Mn3+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two equivalent La3+, one Ti4+, and one Mn3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one La3+, one Ti4+, and one Mn3+ atom.
DOI: 10.17188/1207838
title: Materials Data on La(FeSi)2 by Materials Project

description: LaFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.21 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.28 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Fe+2.50+ atoms.
DOI: 10.17188/1207839
title: Materials Data on ZnC2S2(OF)6 by Materials Project

description: Zn(CF3SO3)2 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of six fluoroform molecules and three Zn(SO3)2 sheets oriented in the (0, 0, 1) direction. In each Zn(SO3)2 sheet, Zn2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zn–O bond lengths are 2.11 Å. S4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.46 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one S4+ atom.
DOI: 10.17188/1207840
title: Materials Data on NaS by Materials Project

description: NaS crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.15 Å. In the second S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.14 Å.
DOI: 10.17188/1207844
title: Materials Data on Ce(SiRh)2 by Materials Project

description: CeRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ce–Rh bond lengths are 3.26 Å. All Ce–Si bond lengths are 3.15 Å. Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhCe4Si4 tetrahedra. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.47 Å.
DOI: 10.17188/1207845
title: Materials Data on Ni2Mo3N by Materials Project

description: Ni2Mo3N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a bent 150 degrees geometry to six equivalent Ni and two equivalent N atoms. There are a spread of Mo–Ni bond distances ranging from 2.74–2.83 Å. Both Mo–N bond lengths are 2.09 Å. Ni is bonded to nine equivalent Mo and three equivalent Ni atoms to form NiNi3Mo9 cuboctahedra that share corners with fifteen equivalent NiNi3Mo9 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent NiNi3Mo9 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Ni–Ni bond lengths are 2.48 Å. N is bonded to six equivalent Mo atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent NiNi3Mo9 cuboctahedra, and faces with eight equivalent NiNi3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.
DOI: 10.17188/1207846
title: Materials Data on SrSeO4 by Materials Project

description: SrSeO4 crystallizes in the monoclinic P2_1/c 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 2.60–3.06 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Se6+ atom.