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U3Cl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded in a square co-planar geometry to four equivalent Cl atoms. All U–Cl bond lengths are 3.00 Å. Cl is bonded to twelve equivalent U atoms to form a mixture of corner and face-sharing ClU12 cuboctahedra.
Pd(PbO3)2 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Pd4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.02 Å. Pb4+ is bonded to six O2- atoms to form distorted edge-sharing PbO6 pentagonal pyramids. There are a spread of Pb–O bond distances ranging from 2.20–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb4+ atoms to form edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.00 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pd4+, two equivalent Pb4+, and one O2- atom.
Pr3Br is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a square co-planar geometry to four equivalent Br atoms. All Pr–Br bond lengths are 3.54 Å. Br is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing BrPr12 cuboctahedra.
LiErF2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. There are two shorter (2.48 Å) and two longer (2.50 Å) Li–F bond lengths. Er is bonded in a distorted hexagonal planar geometry to six equivalent F atoms. There are a spread of Er–F bond distances ranging from 2.33–2.38 Å. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Er atoms.
Pu3Br is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded in a square co-planar geometry to four equivalent Br atoms. All Pu–Br bond lengths are 3.38 Å. Br is bonded to twelve equivalent Pu atoms to form a mixture of corner and face-sharing BrPu12 cuboctahedra.
LiLuF2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. There are two shorter (2.47 Å) and two longer (2.50 Å) Li–F bond lengths. Lu is bonded in a distorted hexagonal planar geometry to six equivalent F atoms. There are a spread of Lu–F bond distances ranging from 2.30–2.33 Å. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Lu atoms.
Pb4O(BO3)(PO4) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–3.15 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.21 Å. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–3.07 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–3.12 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and four Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the seventh O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four Pb2+ and one P5+ atom.
Mg2EuFe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a distorted trigonal planar geometry to three equivalent Fe atoms. There are two shorter (2.79 Å) and one longer (2.83 Å) Mg–Fe bond lengths. Eu is bonded in a linear geometry to two equivalent Fe atoms. Both Eu–Fe bond lengths are 2.57 Å. Fe is bonded to six equivalent Mg and two equivalent Eu atoms to form a mixture of edge and corner-sharing FeEu2Mg6 hexagonal bipyramids.
The phenomenon of interaction of particles with solid-liquid interfaces (SLI) has been studied since the mid 1960's. While the original interest stemmed from geology applications (frost heaving in soil), researchers soon realized that fundamental understanding of particles behavior at solidifying interfaces might yield practical benefits in other fields, including metallurgy. In materials engineering the main issue is the location of particles with respect to grain boundaries at the end of solidification. Considerable experimental and theoretical research was lately focused on applications to metal matrix composites produced by casting or spray forming techniques, and on inclusion management in steel. Another application of particle SLI interaction is in the growing of Y1Ba2Cu3O(7-delta) (123) superconductor crystals from an undercooled liquid. The oxide melt contains Y2Ba1Cu1O5 (211) precipitates, which act as flux pinning sites. The experimental evidence on transparent organic materials, as well as the recent in situ observations on steel demonstrates that there exist a critical velocity of the planar SLI below which particles are pushed ahead of the interface, and above which particles are engulfment. The engulfment of a SiC particle in succinonitrile is exemplified. However, in most commercial alloys dendritic interfaces must be considered. Indeed, most data available on metallic alloys are on dendritic structures. The term engulfment is used to describe incorporation of a particle by a planar or cellular interface as a result of local interface perturbation, as opposed to entrapment that implies particle incorporation at cells or dendrites boundaries. During entrapment the particles are pushed in the intercellular or interdendritic regions and then captured when local solidification occurs. The physics of these two phenomena is fundamentally different.
BPb2P2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. There are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.50–2.99 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–2.94 Å. There are two inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.64 Å. In the second P+4.50+ site, P+4.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.62 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Pb3+ and one P+4.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb3+ and one P+4.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one B3+ and one Pb3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.50+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.50+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Pb3+ and one P+4.50+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P+4.50+ atom.
TbAsO2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to six equivalent O atoms. There are a spread of Tb–O bond distances ranging from 2.25–2.40 Å. As is bonded in a linear geometry to two equivalent O atoms. Both As–O bond lengths are 2.08 Å. O is bonded to three equivalent Tb and one As atom to form a mixture of corner and edge-sharing OTb3As tetrahedra.
Bi4O3(BO3)(PO4) crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.62 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.46 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.06 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi3+ atoms.
LiMn3O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.86 Å) and two longer (1.87 Å) Li–O bond length. There are four inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are four shorter (1.95 Å) and two longer (2.51 Å) Mn–O bond lengths. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two shorter (2.03 Å) and four longer (2.18 Å) Mn–O bond lengths. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–66°. There are a spread of Mn–O bond distances ranging from 1.96–2.34 Å. In the fourth Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 3–53°. There are a spread of Mn–O bond distances ranging from 1.96–2.18 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Mn3+ atoms. In the second O2- site, O2- is bonded to five Mn3+ atoms to form OMn5 square pyramids that share corners with two equivalent OMn5 square pyramids, corners with four OLiMn3 tetrahedra, edges with three equivalent OMn5 square pyramids, and edges with four OLiMn3 tetrahedra. In the third O2- site, O2- is bonded to one Li1+ and three Mn3+ atoms to form OLiMn3 tetrahedra that share corners with two equivalent OMn5 square pyramids, corners with seven OLiMn3 tetrahedra, edges with two equivalent OMn5 square pyramids, and an edgeedge with one OLiMn3 tetrahedra. In the fourth O2- site, O2- is bonded to one Li1+ and three Mn3+ atoms to form distorted OLiMn3 tetrahedra that share corners with seven OLiMn3 tetrahedra, edges with two equivalent OMn5 square pyramids, and an edgeedge with one OLiMn3 tetrahedra. In the fifth O2- site, O2- is bonded to one Li1+ and three Mn3+ atoms to form distorted OLiMn3 tetrahedra that share corners with two equivalent OMn5 square pyramids, corners with seven OLiMn3 tetrahedra, and an edgeedge with one OLiMn3 tetrahedra.
Bi2O3 is Antimony trioxide structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.
Ce3Br is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a square co-planar geometry to four equivalent Br atoms. All Ce–Br bond lengths are 3.23 Å. Br is bonded to twelve equivalent Ce atoms to form a mixture of face and corner-sharing BrCe12 cuboctahedra.
PdCuO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCu2Pd2 tetrahedra.
PdCuO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Cu2+ atoms to form a mixture of corner and edge-sharing OCu2Pd2 tetrahedra.
PtCuO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded to two equivalent Pt2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCu2Pt2 tetrahedra.