Describing co-ordination polyhedra

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troemyd
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Joined: 11 Sep 2017, 10:41

Describing co-ordination polyhedra

Post by troemyd » 11 Sep 2017, 11:06

I'm in the process of describing co-ordination polyhedra in a structure. The polyhedron that is closest has a rhombic face. In my refined structure, the atoms which form the corners of this face are not exactly in-plane which, given the nature of the structure, could be attributed to a refinement error.
What would be the best approach: describe the simpler polyhedron and point out the issue with this face, or describe the polygon as the more complex form with the rhombic face divided into two triangles?

Thanks

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Helge
Rotating Anode With Optics
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Re: Describing co-ordination polyhedra

Post by Helge » 19 Sep 2017, 13:03

As someone who comes originally from the structural chemistry of Lanthanide Silicates: Stick with the simpler one, i.e. treat the almost-rhombic face as a rhombic one.
I at one point had to resort to decriptions like "sea-urchin" for a 10-coordinate Cs cation.

troemyd
Posts: 2
Joined: 11 Sep 2017, 10:41

Re: Describing co-ordination polyhedra

Post by troemyd » 20 Sep 2017, 11:42

Thanks - I wasn't looking forward to coming up with a term for the more complicated shape.

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