INGENIA

INO-13

Coordination from radius ratio

CN jumps at the critical radius ratios. A hard-sphere snapshot.

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Crystal chemistryPauling CN

Governing equation

CN=f(r+/r−)\mathrm{CN}=f(r_+/r_-)

r+∈[0.2,1.8]r_+ \in \left[0.2, 1.8\right]

where

r_+
Cation radius (Å)
r_-
Anion radius (Å)
CN
Coordination number (—)

The figure, part by part

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INO-13 · gauge
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①

Governing law — red

CN=f(r+/r−)\mathrm{CN}=f(r_+/r_-)

r+∈[0.2,1.8]r_+ \in \left[0.2, 1.8\right]

r+=0.2r_+ = 0.2CN=3CN = 3

②

Domain of the variable — blue

r_+_{\min} = 0.2,\quad r_+_{\max} = 1.8

r+∈[0.2,1.8]r_+ \in \left[0.2, 1.8\right]

r+=0.2r_+ = 0.2r+=0.2r_+ = 0.2

③

Response curve — green

CN=f(r+/r−)\mathrm{CN}=f(r_+/r_-)

r+∈[0.2,1.8]r_+ \in \left[0.2, 1.8\right]

r+=0.2r_+ = 0.2CN=3CN = 3

④

Rate of change — amber

dCNdr+\frac{\mathrm{d}CN}{\mathrm{d}r_+}

r+∈[0.2,1.8]r_+ \in \left[0.2, 1.8\right]

r+=0.21r_+ = 0.21CN′=0CN^{\prime} = 0

Lecture brief

Historical brief

Pauling and Allred–Rochow electronegativity, Kapustinskii lattice energy, CFSE and Goldschmidt radii organise the periodic solid. The sheets predict bond character and crystal packing. This sheet (INO-13 — Coordination from radius ratio) is the form associated with Pauling CN. Working symbols: r+r_+, r−r_- →\rightarrow CNCN. Cations sit in the largest hole they can rattle in: triangular, tetrahedral, octahedral, cubic.

Purpose

Purpose: compute CNCN from r+r_+, r−r_- in Inorganic chemistry via CN=f(r+/r−)\mathrm{CN}=f(r_+/r_-) CN jumps at the critical radius ratios. A hard-sphere snapshot. Use it when a real inorganic chemistry question must be answered in SI before a code check.

Live realistic example

In symbols

Live case. Given r+=0.950 A˚r_+ = 0.950\,\mathrm{Å}, r−=1.810 A˚r_- = 1.810\,\mathrm{Å}, the governing relation CN=f(r+/r−)\mathrm{CN}=f(r_+/r_-) yields CN=8 —CN = 8\,\mathrm{—}. Same radii as the radius-ratio sheet; output predicted CN. Move a slider: the numbers are this situation, not a canned story.

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Inputs

Outputs

  • Coordination number CN8 —
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INO-13 · gauge
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Narration of this film

Same radii as the radius-ratio sheet; output predicted CN.

Cations sit in the largest hole they can rattle in: triangular, tetrahedral, octahedral, cubic.

Reading speed

Watch on YouTube