[Ifeffit] (no subject)

2023-04-24 Thread Jyoti Pandey
Hello everyone, I have a cluster of 13 Rh atoms above the graphene sheet. The first coordination number that I am getting is around 1.65 (which is obtained by choosing a Rh-C) path. I am curious to know whether this value is the "exact" or the "average" coordination number w.r.t all the Rh atoms.

Re: [Ifeffit] (no subject)

2023-04-24 Thread Anatoly Frenkel
Joyti, The coordination number of Rh-C bonds is defined as the total number of Rh-C bonds in the sample divided by the total number of Rh atoms in the sample. Anatoly --- Anatoly I. Frenkel Professor Department of Materials Science