RbIO2

RbIO2 is a metastable, semiconducting compound containing rubidium, iodine, and oxygen that exists in several distinct structural forms.

IORb
Crystal structure of RbIO2 (tetragonal, I41/a (No. 88))
Ground-state structure · Materials Project
Overview

About RbIO2

RbIO2 is a complex inorganic compound composed of rubidium, iodine, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic salts, positioning it as a subject of interest for fundamental solid-state research. The compound is characterized by its metastable nature, as it sits above the thermodynamic hull. Despite this, multiple structural variations have been identified across databases, highlighting the complex coordination chemistry possible within this chemical system.

At a glance

Key Properties

Cross-validated computational properties for RbIO2, aggregated across 3 databases.

Band Gap

1.69 eV
Range across DFT structures

Energy Above Hull

0.798 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for RbIO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I41/a (No. 88)tetragonal1.690.7978-3.7293.41
P4mm (No. 99)
C2 (No. 5)Monoclinic3.40
C2 (No. 5)Monoclinic3.45
P1 (No. 1)Triclinic3.27
Uses

Applications

Where RbIO2 is used.

Solid-state chemistry researchFundamental materials characterization
Reference

Frequently Asked Questions

Common questions about RbIO2, answered from cross-validated data.

What is RbIO2?

RbIO2 is a metastable, semiconducting compound containing rubidium, iodine, and oxygen that exists in several distinct structural forms.

More questions
What is RbIO2 used for?
RbIO2 is used in solid-state chemistry research and fundamental materials characterization.
What is the band gap of RbIO2?
RbIO2 has a DFT-computed band gap of 1.69 eV across 5 reported structures.
Is RbIO2 a metal, semiconductor, or insulator?
With a band gap up to 1.69 eV it is a semiconductor.
Is RbIO2 thermodynamically stable?
RbIO2 has a lowest energy above hull of 0.798 eV/atom (above hull).
What is the crystal structure of RbIO2?
The lowest-energy reported polymorph of RbIO2 is tetragonal symmetry, space group I41/a (No. 88).
What is the density of RbIO2?
The computed density of the ground-state structure of RbIO2 is 3.41 g/cm³.
How many polymorphs of RbIO2 are known?
5 structures of RbIO2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does RbIO2 contain?
RbIO2 contains I, O, and Rb (3 elements).
Where does the data for RbIO2 come from?
RbIO2 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique iodate phase, RbIO2 represents a specialized case within the broader family of alkali metal oxo-halides. Unlike more common, highly stable binary salts, this compound demonstrates the structural diversity inherent in systems where the delicate balance of ionic and covalent bonding leads to multiple metastable configurations.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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