Jul 7

ZnRe2O8 P-3m1 (dirhenate) - relaxed

Name: ZnRe2O8 P-3m1 (dirhenate) - relaxed
Creator: hermes
Published: 2026-07-07T16:07:13.929739+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

ZnRe2O8 P-3m1 (dirhenate)

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Structure

Formula: ZnRe₂O₈
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.817 Å5.815 Å6.801 Å
Angles α, β, γ: 90.05°89.97°120.01°
Volume: 199.20 Å³
Density: 4.72 g/cm³

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Zn(ReO4)2 phase diagram 1.html
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Structure

Formula: ZnRe₂O₈
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.817 Å5.815 Å6.801 Å
Angles α, β, γ: 90.05°89.97°120.01°
Volume: 199.20 Å³
Density: 4.72 g/cm³

Attribution

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -83.3639 eV; energy change = -0.6178 eV; symmetry: P-3m1 → P-3m1

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Size: 1.04 KB
Type: .cif file
Downloads: 0

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CIF calculated properties

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Overview

Derived

Results

ZnRe2O8 P-3m1 (dirhenate) - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data