cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1193053
title: Materials Data on Mg2Pd by Materials Project

description: Mg2Pd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Pd atoms. There are two shorter (2.74 Å) and two longer (3.04 Å) Mg–Pd bond lengths. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.70 Å. Pd is bonded in a 9-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1193054
title: Materials Data on Na5SnP3 by Materials Project

description: Na5SnP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.26 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.99–3.39 Å. In the third Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent SnP4 tetrahedra, corners with six NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 3.15–3.28 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent SnP4 tetrahedra, corners with five NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.92–3.00 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with six NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.88–2.92 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with five NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Sn–P bond distances ranging from 2.53–2.63 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sn4+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom.
DOI: 10.17188/1193056
title: Materials Data on LaPt5 by Materials Project

description: Pt5La crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.15 Å) and twelve longer (3.52 Å) La–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent La3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.73 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent La3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtLa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.73 Å.
DOI: 10.17188/1193057
title: Materials Data on Hg2Te2O7 by Materials Project

description: Hg2Te2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.47 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.22–2.69 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.80 Å) Hg–O bond lengths. In the fourth Hg2+ site, Hg2+ is bonded to six O2- atoms to form distorted HgO6 pentagonal pyramids that share corners with four TeO6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Hg–O bond distances ranging from 2.32–2.51 Å. There are three inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent HgO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 37°. There is two shorter (1.95 Å) and four longer (1.98 Å) Te–O bond length. In the second Te5+ site, Te5+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent HgO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Te–O bond distances ranging from 1.94–2.00 Å. In the third Te5+ site, Te5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.17 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Te5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Te5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and two Te5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one Te5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Hg2+ and two Te5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Te5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and one Te5+ atom.
DOI: 10.17188/1193058
title: Materials Data on Ba2Tl2O5 by Materials Project

description: Tl2Ba2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.17 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with four equivalent TlO6 octahedra and corners with two equivalent TlO4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Tl–O bond distances ranging from 2.11–2.48 Å. In the second Tl3+ site, Tl3+ is bonded to four O2- atoms to form TlO4 tetrahedra that share corners with two equivalent TlO6 octahedra and corners with two equivalent TlO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Tl–O bond distances ranging from 2.14–2.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and two equivalent Tl3+ atoms to form distorted corner-sharing OBa2Tl2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two Tl3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Tl3+ atoms.
DOI: 10.17188/1193059
title: Materials Data on CsMgPO4 by Materials Project

description: CsMgPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.20 Å) and two longer (3.21 Å) Cs–O bond lengths. Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.92–1.95 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent MgO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Mg2+, and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Mg2+ and one P5+ atom.
DOI: 10.17188/1193060
title: Materials Data on Sr3ZnRhO6 by Materials Project

description: Sr3ZnRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.73 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Rh–O bond lengths are 2.04 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Zn–O bond lengths are 2.22 Å. O2- is bonded to four equivalent Sr2+, one Rh4+, and one Zn2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4ZnRh octahedra. The corner-sharing octahedra tilt angles range from 0–65°.
DOI: 10.17188/1193061
title: Materials Data on Lu2ZnS4 by Materials Project

description: Lu2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with four equivalent LuS6 octahedra, corners with two equivalent ZnS4 tetrahedra, edges with four LuS6 octahedra, and edges with two equivalent ZnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Lu–S bond distances ranging from 2.66–2.70 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with eight LuS6 octahedra, corners with four equivalent ZnS4 tetrahedra, edges with two equivalent LuS6 octahedra, and an edgeedge with one ZnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Lu–S bond distances ranging from 2.67–2.72 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six LuS6 octahedra and edges with three LuS6 octahedra. The corner-sharing octahedra tilt angles range from 58–63°. There are a spread of Zn–S bond distances ranging from 2.30–2.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Lu3+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Lu3+ and one Zn2+ atom. In the third S2- site, S2- is bonded to three Lu3+ and one Zn2+ atom to form distorted corner-sharing SLu3Zn trigonal pyramids.
DOI: 10.17188/1193062
title: Materials Data on NaHoGeO4 by Materials Project

description: NaHoGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with four equivalent HoO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent NaO6 octahedra, edges with two equivalent HoO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–66°. There are a spread of Na–O bond distances ranging from 2.39–2.56 Å. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with four equivalent NaO6 octahedra, corners with four equivalent HoO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent NaO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–66°. There are a spread of Ho–O bond distances ranging from 2.22–2.35 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent HoO6 octahedra, an edgeedge with one HoO6 octahedra, and edges with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Ho3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Ho3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Ho3+, and one Ge4+ atom.
DOI: 10.17188/1193063
title: Materials Data on Ba2Ge2Se5 by Materials Project

description: Ba2Ge2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.40–3.61 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.48–3.27 Å. In the second Ge3+ site, Ge3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.36–2.40 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent Ba2+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing SeBa4Ge square pyramids. In the second Se2- site, Se2- is bonded to four equivalent Ba2+ and one Ge3+ atom to form a mixture of distorted face, edge, and corner-sharing SeBa4Ge square pyramids. In the third Se2- site, Se2- is bonded to four equivalent Ba2+ and one Ge3+ atom to form a mixture of distorted face, edge, and corner-sharing SeBa4Ge square pyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Ge3+ atoms.
DOI: 10.17188/1193064
title: Materials Data on Be3N2 by Materials Project

description: Be3N2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.70–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedral tilt angles are 59°.
DOI: 10.17188/1193065
title: Materials Data on NdAl4 by Materials Project

description: Al4Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.27 Å) and eight longer (3.57 Å) Nd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Nd and eight Al atoms to form a mixture of corner, edge, and face-sharing AlNd4Al8 cuboctahedra. There are four shorter (2.66 Å) and four longer (3.01 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. The Al–Al bond length is 2.55 Å.
DOI: 10.17188/1193066
title: Materials Data on ErPtF7 by Materials Project

description: ErPtF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.15–2.40 Å. Pt4+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.96 Å) and five longer (1.97 Å) Pt–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Er3+ and one Pt4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Er3+ and one Pt4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Pt4+ atom.
DOI: 10.17188/1193067
title: Materials Data on BaMgP2O7 by Materials Project

description: BaMgP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.38 Å. Mg2+ is bonded to six O2- atoms to form distorted MgO6 octahedra that share corners with four PO4 tetrahedra and an edgeedge with one PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.53 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 MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of P–O bond distances ranging from 1.53–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra, a cornercorner with one PO4 tetrahedra, and an edgeedge with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Mg2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Mg2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Mg2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Mg2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Mg2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Mg2+, and one P5+ atom.
DOI: 10.17188/1193068
title: Materials Data on Ta2Tl4S11 by Materials Project

description: Ta2Tl4S11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to seven S2- atoms to form distorted face-sharing TaS7 pentagonal bipyramids. There are a spread of Ta–S bond distances ranging from 2.31–2.78 Å. In the second Ta5+ site, Ta5+ is bonded to seven S2- atoms to form distorted face-sharing TaS7 pentagonal bipyramids. There are a spread of Ta–S bond distances ranging from 2.32–2.76 Å. There are four inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.01–3.36 Å. In the second Tl3+ site, Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.28 Å. In the third Tl3+ site, Tl3+ is bonded in a 5-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.11–3.47 Å. In the fourth Tl3+ site, Tl3+ is bonded in a 3-coordinate geometry to two S2- atoms. There are one shorter (3.02 Å) and one longer (3.04 Å) Tl–S bond lengths. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Ta5+, two Tl3+, and one S2- atom. The S–S bond length is 2.09 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Ta5+ and four Tl3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Ta5+, two equivalent Tl3+, and one S2- atom. The S–S bond length is 2.09 Å. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to one Ta5+, one Tl3+, and one S2- atom. The S–S bond length is 2.10 Å. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to one Ta5+ and one S2- atom. In the sixth S2- site, S2- is bonded in a distorted single-bond geometry to one Ta5+, one Tl3+, and one S2- atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to one Ta5+ and one S2- atom. In the eighth S2- site, S2- is bonded to one Ta5+ and three Tl3+ atoms to form distorted edge-sharing STaTl3 trigonal pyramids. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to one Ta5+, one Tl3+, and one S2- atom. The S–S bond length is 2.08 Å. In the tenth S2- site, S2- is bonded in a 3-coordinate geometry to two Ta5+ and one S2- atom. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to two Ta5+ and two Tl3+ atoms.
DOI: 10.17188/1193069
title: Materials Data on La5Si4 by Materials Project

description: La5Si4 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of La–Si bond distances ranging from 3.04–3.19 Å. In the second La site, La is bonded to six Si atoms to form a mixture of distorted edge, corner, and face-sharing LaSi6 octahedra. The corner-sharing octahedra tilt angles range from 40–49°. There are a spread of La–Si bond distances ranging from 3.20–3.41 Å. In the third La site, La is bonded to six Si atoms to form a mixture of corner and face-sharing LaSi6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are four shorter (3.20 Å) and two longer (3.25 Å) La–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight La and one Si atom. The Si–Si bond length is 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven La and one Si atom.