Selecting
Polytope creates a coordination polyhedron around each
central atom, plus a report of topological and geometrical properties.
Throughout the report,
Minimum is the minimum value,
Maximum is the maximum value,
Average is the
mean value and
Deviation is the standard deviation,
in the universe formed by the selected polyhedrons only.
Polyhedrons
Total number of polyhedrons. Polyhedrons are always
External.
Faces
Total number of faces. Faces are always
External.
Edges
Total number of edges. Edges are always
External.
Vertices
Total number of vertices. Vertices are always
External.
Polyhedron Faces
Number of faces per polyhedron. The minimum value is 4 (tetrahedron).
Polyhedron Edges
Number of edges per polyhedron. The minimum value is 6 (tetrahedron).
Polyhedron Vertices
Number of vertices per polyhedron. The minimum value is 4 (tetrahedron).
Face Vertices
Number of vertices per face. The minimum value is 3 (triangle).
Vertex Faces
Number of faces sharing a vertex. The minimum value is 3
(system corner).
Polyhedron Volumes
The volume for each polyhedron, obtained by summing the volumes of all its triangular
piramids.
Polyhedron Areas
The area for each polyhedron, obtained by summing the areas of all its faces.
Polyhedron Lengths
The length for each polyhedron, obtained by summing the lengths of all its edges.
Polyhedron Aberrations
This is the
Spherical Aberration, the ratio between the area of
a polyhedron and the area of a sphere with the same volume. As a sphere
is the 3D object with a smaller area/volume ratio,
Spherical Aberration is always above 1.0.
Face Areas
The area for each face, obtained by summing the areas of all its triangles.
Faces with an area smaller than a given tolerance (the
Area tolerance
in the
Group->Measure dialog) are removed.
Face Lengths
The perimeter for each face, obtained by summing the lengths of all its edges.
Face Aberrations
This is the
Circular Aberration, the ratio between the perimeter
of a face and the perimeter of a circumpherence with the same area. As
a circumpherence is the 2D object with a smaller perimeter/area
ratio,
Circular Aberration is always above 1.0.
Edge Lengths
The length for each edge.
Face Angles
The angle between adjacent faces (between 0 and 180 degrees).