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Materials Data on LaZnSn by Materials Project
LaZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All La–Zn bond lengths are 3.13 Å. All La–Sn bond lengths are 3.52 Å. In the second La site, La is bonded to six equivalent Sn atoms to form distorted edge-sharing LaSn6 octahedra. All La–Sn bond lengths are 3.34 Å. Zn is bonded in a 6-coordinate geometry to three equivalent La and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.75 Å. Sn is bonded in a 6-coordinate geometry to six La and three equivalent Zn atoms.
Materials Data on LaNi3 by Materials Project
LaNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of La–Ni bond distances ranging from 2.90–3.21 Å. In the second La site, La is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.91 Å) and twelve longer (3.23 Å) La–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five La and seven Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiLa5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.59 Å. In the second Ni site, Ni is bonded to six equivalent La and six equivalent Ni atoms to form NiLa6Ni6 cuboctahedra that share corners with twelve equivalent NiLa5Ni7 cuboctahedra, edges with six equivalent NiLa6Ni6 cuboctahedra, and faces with eighteen equivalent NiLa5Ni7 cuboctahedra. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms.
Materials Data on La5Sn3Cl by Materials Project
La5Sn3Cl crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.46 Å. In the second La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent Cl atoms. There are a spread of La–Sn bond distances ranging from 3.31–3.68 Å. Both La–Cl bond lengths are 3.06 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. Cl is bonded to six equivalent La atoms to form face-sharing ClLa6 octahedra.
Materials Data on La5Sn3I by Materials Project
La5Sn3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent I atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.73 Å. Both La–I bond lengths are 3.25 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.52 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.
Materials Data on La5Bi3Br by Materials Project
La5Bi3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Bi and two equivalent Br atoms. There are a spread of La–Bi bond distances ranging from 3.36–3.61 Å. Both La–Br bond lengths are 3.18 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All La–Bi bond lengths are 3.51 Å. Bi is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.
Materials Data on LaSn3Ru by Materials Project
LaRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All La–Ru bond lengths are 3.49 Å. There are eight shorter (3.44 Å) and four longer (3.45 Å) La–Sn bond lengths. In the second La site, La is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All La–Sn bond lengths are 3.48 Å. Ru is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.71 Å. Sn is bonded in a 2-coordinate geometry to four La, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.11 Å) and two longer (3.16 Å) Sn–Sn bond lengths.
Materials Data on La5Pb3I by Materials Project
La5Pb3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent I atoms. There are a spread of La–Pb bond distances ranging from 3.35–3.76 Å. Both La–I bond lengths are 3.26 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.56 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.
Materials Data on La10(Si2O9)3 by Materials Project
La10Si6O27 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are ten inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.19–2.85 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.26–3.03 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.93 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–3.01 Å. In the fifth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.26–2.82 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.26–2.76 Å. In the seventh La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.56 Å. In the eighth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.85 Å. In the ninth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.93 Å. In the tenth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.99 Å. There are six inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.64 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. In the sixth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. There are twenty-seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three La3+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to three La3+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Si4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Si4+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one Si4+ atom. In the twenty-sixth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one Si4+ atom. In the twenty-seventh O2- site, O2- is bonded in a trigonal planar geometry to three La3+ atoms.
Materials Data on La5NiPb3 by Materials Project
La5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Pb atoms. Both La–Ni bond lengths are 2.92 Å. There are a spread of La–Pb bond distances ranging from 3.38–3.93 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.45 Å. Ni is bonded to six equivalent La atoms to form face-sharing NiLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.
Materials Data on La5Ti2AgS5O7 by Materials Project
La5Ti2AgS5O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to two equivalent S2- and three O2- atoms. Both La–S bond lengths are 2.91 Å. There are one shorter (2.41 Å) and two longer (2.49 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.10 Å. There are two shorter (2.42 Å) and one longer (2.55 Å) La–O bond lengths. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to five S2- and four O2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.07 Å. There are a spread of La–O bond distances ranging from 2.48–2.64 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to two equivalent S2- and five O2- atoms. Both La–S bond lengths are 3.08 Å. There are a spread of La–O bond distances ranging from 2.34–2.58 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to five S2- and four O2- atoms. There are a spread of La–S bond distances ranging from 3.02–3.08 Å. There are a spread of La–O bond distances ranging from 2.52–2.63 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to two S2- and four O2- atoms. There are one shorter (2.36 Å) and one longer (2.72 Å) Ti–S bond lengths. There is one shorter (1.88 Å) and three longer (2.01 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to one S2- and five O2- atoms to form distorted TiSO5 trigonal bipyramids that share corners with two equivalent TiSO5 trigonal bipyramids and a cornercorner with one AgS4 trigonal pyramid. The Ti–S bond length is 2.90 Å. There are a spread of Ti–O bond distances ranging from 1.83–2.01 Å. Ag1+ is bonded to four S2- atoms to form AgS4 trigonal pyramids that share a cornercorner with one TiSO5 trigonal bipyramid and corners with two equivalent AgS4 trigonal pyramids. There are a spread of Ag–S bond distances ranging from 2.49–2.65 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four La3+, one Ti4+, and one Ag1+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Ag1+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five La3+ and one Ti4+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five La3+ and one Ag1+ atom. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to four La3+ atoms to form distorted corner-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ti4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Ti4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Ti4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Ti4+ atoms.
Materials Data on La5Ti2CuS5O7 by Materials Project
La5Ti2CuS5O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to five S2- and four O2- atoms. There are two shorter (3.01 Å) and three longer (3.03 Å) La–S bond lengths. There are a spread of La–O bond distances ranging from 2.50–2.67 Å. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three O2- atoms. There are a spread of La–S bond distances ranging from 3.00–3.21 Å. There are two shorter (2.44 Å) and one longer (2.55 Å) La–O bond lengths. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to two equivalent S2- and five O2- atoms. Both La–S bond lengths are 3.07 Å. There are a spread of La–O bond distances ranging from 2.34–2.63 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to five S2- and four O2- atoms. There are a spread of La–S bond distances ranging from 2.90–3.11 Å. There are a spread of La–O bond distances ranging from 2.48–2.62 Å. In the fifth La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three O2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.43 Å. There are one shorter (2.44 Å) and two longer (2.48 Å) La–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 1.81–2.01 Å. In the second Ti4+ site, Ti4+ is bonded in a 4-coordinate geometry to two S2- and four O2- atoms. There are one shorter (2.38 Å) and one longer (2.76 Å) Ti–S bond lengths. There are a spread of Ti–O bond distances ranging from 1.87–2.01 Å. Cu1+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.35–2.38 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five La3+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent La3+, one Ti4+, and two equivalent Cu1+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five La3+ and one Ti4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to five La3+ and one Cu1+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded to four La3+ atoms to form distorted OLa4 tetrahedra that share corners with two equivalent OLa4 tetrahedra and edges with two equivalent OLa3Ti tetrahedra. In the fifth O2- site, O2- is bonded to three La3+ and one Ti4+ atom to form distorted OLa3Ti tetrahedra that share corners with two equivalent OLa3Ti tetrahedra and edges with two equivalent OLa4 tetrahedra. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Ti4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Ti4+ atoms.
Materials Data on La5C2I9 by Materials Project
La5C2I9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to two C3- and five I1- atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) La–C bond lengths. There are a spread of La–I bond distances ranging from 3.31–3.46 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one C3- and six I1- atoms. The La–C bond length is 2.37 Å. There are a spread of La–I bond distances ranging from 3.19–3.68 Å. In the third La3+ site, La3+ is bonded to two C3- and six I1- atoms to form distorted edge-sharing LaC2I6 hexagonal bipyramids. There are one shorter (2.46 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–I bond distances ranging from 3.29–3.61 Å. In the fourth La3+ site, La3+ is bonded in a distorted single-bond geometry to one C3- and five I1- atoms. The La–C bond length is 2.34 Å. There are a spread of La–I bond distances ranging from 3.24–3.55 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six I1- atoms. There are one shorter (2.49 Å) and one longer (2.55 Å) La–C bond lengths. There are a spread of La–I bond distances ranging from 3.35–3.48 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.47 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are nine inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fifth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the sixth I1- site, I1- is bonded to four La3+ atoms to form distorted edge-sharing ILa4 tetrahedra. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the eighth I1- site, I1- is bonded in a 3-coordinate geometry to two La3+ atoms. In the ninth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent La3+ atoms.
Materials Data on La10C4I15 by Materials Project
La10C4I15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to one C+3.75- and five I1- atoms to form distorted LaCI5 octahedra that share corners with two LaC2I5 pentagonal bipyramids, edges with two LaCI5 octahedra, and edges with two LaC2I5 pentagonal bipyramids. The La–C bond length is 2.36 Å. There are a spread of La–I bond distances ranging from 3.22–3.51 Å. In the second La3+ site, La3+ is bonded to two C+3.75- and five I1- atoms to form distorted LaC2I5 pentagonal bipyramids that share a cornercorner with one LaCI5 octahedra, corners with three LaC2I5 pentagonal bipyramids, edges with three LaCI5 octahedra, and a faceface with one LaC2I5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 12°. There are one shorter (2.64 Å) and one longer (2.65 Å) La–C bond lengths. There are a spread of La–I bond distances ranging from 3.20–3.57 Å. In the third La3+ site, La3+ is bonded to two C+3.75- and five I1- atoms to form distorted LaC2I5 pentagonal bipyramids that share a cornercorner with one LaCI5 octahedra, corners with two equivalent LaC2I5 pentagonal bipyramids, edges with three LaCI5 octahedra, an edgeedge with one LaC2I5 pentagonal bipyramid, and a faceface with one LaC2I5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 1°. Both La–C bond lengths are 2.67 Å. There are a spread of La–I bond distances ranging from 3.17–3.55 Å. In the fourth La3+ site, La3+ is bonded to one C+3.75- and five I1- atoms to form distorted LaCI5 octahedra that share edges with two LaCI5 octahedra and edges with four LaC2I5 pentagonal bipyramids. The La–C bond length is 2.36 Å. There are a spread of La–I bond distances ranging from 3.23–3.46 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to four C+3.75- and four I1- atoms. There are a spread of La–C bond distances ranging from 2.77–2.83 Å. There are a spread of La–I bond distances ranging from 3.32–3.47 Å. There are two inequivalent C+3.75- sites. In the first C+3.75- site, C+3.75- is bonded in a 6-coordinate geometry to five La3+ and one C+3.75- atom. The C–C bond length is 1.41 Å. In the second C+3.75- site, C+3.75- is bonded in a 6-coordinate geometry to five La3+ and one C+3.75- atom. There are eight inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the sixth I1- site, I1- is bonded in a distorted T-shaped geometry to three La3+ atoms. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the eighth I1- site, I1- is bonded in a 4-coordinate geometry to four La3+ atoms.
Materials Data on La5Sn3Br by Materials Project
La5Sn3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent Br atoms. There are a spread of La–Sn bond distances ranging from 3.33–3.69 Å. Both La–Br bond lengths are 3.14 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.49 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.
Materials Data on La5Si5I3 by Materials Project
La5Si5I3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to five Si+2.40- and three I1- atoms to form a mixture of distorted edge and face-sharing LaSi5I3 hexagonal bipyramids. There are a spread of La–Si bond distances ranging from 3.04–3.13 Å. There are two shorter (3.33 Å) and one longer (3.34 Å) La–I bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight Si+2.40- and one I1- atom. There are a spread of La–Si bond distances ranging from 3.12–3.19 Å. The La–I bond length is 3.38 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to four Si+2.40- and four I1- atoms. There are two shorter (3.10 Å) and two longer (3.11 Å) La–Si bond lengths. There are a spread of La–I bond distances ranging from 3.37–3.68 Å. In the fourth La3+ site, La3+ is bonded in a 10-coordinate geometry to nine Si+2.40- and one I1- atom. There are a spread of La–Si bond distances ranging from 3.16–3.28 Å. The La–I bond length is 3.39 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to four Si+2.40- and four I1- atoms. All La–Si bond lengths are 3.10 Å. There are a spread of La–I bond distances ranging from 3.42–3.56 Å. There are five inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six La3+ and two Si+2.40- atoms. There are one shorter (2.38 Å) and one longer (2.48 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six La3+ and two Si+2.40- atoms. The Si–Si bond length is 2.49 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to six La3+ and three Si+2.40- atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Si–Si bond lengths. In the fourth Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six La3+ and two Si+2.40- atoms. The Si–Si bond length is 2.38 Å. In the fifth Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six La3+ and two Si+2.40- atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded to four La3+ atoms to form distorted corner-sharing ILa4 tetrahedra. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to five La3+ atoms.
Materials Data on KLa5(CCl5)2 by Materials Project
KLa5(CCl5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.64 Å. There are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.47 Å) and one longer (2.53 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.89–3.13 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to one C3- and seven Cl1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Cl bond distances ranging from 2.85–3.52 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.87–3.14 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The La–C bond length is 2.34 Å. There are a spread of La–Cl bond distances ranging from 2.86–3.25 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.89–3.10 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to one K1+ and three La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the fifth Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms. In the seventh Cl1- site, Cl1- is bonded to one K1+ and three La3+ atoms to form a mixture of distorted corner and edge-sharing ClKLa3 tetrahedra. In the eighth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one K1+ and three La3+ atoms. In the ninth Cl1- site, Cl1- is bonded to four La3+ atoms to form a mixture of distorted corner and edge-sharing ClLa4 tetrahedra. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three La3+ atoms.
Materials Data on La5C2Cl9 by Materials Project
La5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.96–3.37 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one C3- and seven Cl1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Cl bond distances ranging from 2.89–3.41 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.51 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The La–C bond length is 2.35 Å. There are a spread of La–Cl bond distances ranging from 2.86–3.12 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) La–C bond lengths. There are a spread of La–Cl bond distances ranging from 2.88–3.28 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to three La3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four La3+ atoms.