 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 3]](bp5080fig3mag.jpg)
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Figure 3
Refinements for (Fe1 − xCrx)2O3. A set of 441 models for [A]Fe,Cr[B]Fe,CrO3 compounds with [A] and [B] sites fully occupied by a mixed metal Fe1 − xCrx was built: parameter x was varied by 0.05 steps in the range [0–1], independently for [A] and [B] sites (horizontal coordinates axis). Coordinates and displacement parameters for metals within a single site were constrained to refine to identical values, and the final wR2 factor was calculated for each model (vertical coordinate axis). All compounds represented by a blue node have the same chemical composition, FeCrO3, and the central green node is FeCrO3 with a random distribution of metals in [A] and [B] sites. Two supplementary nodes correspond to stoichiometric compositions Fe2O3 and Cr2O3 (red nodes), while all the other nodes in the map are for non-stoichiometric compounds. |
![[Figure 3]](bp5080fig3.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
