Correction: Lindič et al. First-Principle Investigation of Hypothetical NiF₄ Crystal Structures. Crystals 2022, 12, 1640

Omission of Supplementary Materials

Due to an oversight by the journal’s Editorial Office, the Supplementary Materials were not published alongside the original article [1], despite having been reviewed and approved by the peer reviewers and the Academic Editor.

In the original publication, the Supplementary Materials were not cited. The citation has now been inserted in the back matter as follows.

• Supplementary Materials: The following supporting information can be downloaded at: https://www.mdpi.com/article/10.3390/cryst12111640/s1, Table S1: Calculated Ni-F bond distances (in Å) in K₂NiF₆ with varying Hubbard U value. Table S2: ΔE (in meV), space group and space group number, SG (#) and optimized cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG; in eV) for optimised structure I. Table S3: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure I (the numbering of the atoms is the same as in Figure 1 in the main text). Table S4: Bond angles (in °) in the octahedron in structure I, with fluorine denoted just with a number and the numbering being the same as in Figure 1 in the main text. Table S5: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure I. Table S6: ΔE (in meV), space group and space group number, SG (#) and optimised cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG; in eV) for optimised structure II. Table S7: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure II, with the same labelling as in Figure S1. Table S8: Bond angles (in °) in the octahedron in structure I, with fluorine denoted with just a number and the numbering being the same as in Figure S1. Table S9: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure II. Figure S1: Unit cell of structure II, with the numbering of fluorine atoms. Figure S2: Crystal structure of II, shown as a supercell, with blue and red octahedra denoting opposite orientations of magnetic moments on Ni atoms. Figure S3: Orbital-projected DOS for structure II. Figure S4: Element-projected DOS for structure II. Table S10: ΔE (in meV), space group and space group number, SG (#) and optimised cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG; in eV) for optimised structure III. Table S11: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure III, with the same labelling as in Figure S5. Table S12: Bond angles (in °) in the octahedron in structure III; fluorine atoms are denoted with numbers, and the numbering is the same as in Figure S5. Figure S5: Unit cell of structure III, with the numbering of fluorine atoms. Figure S6: Crystal structure of III, with blue and red octahedra denoting the opposite orientations of magnetic moments on Ni atoms. Figure S7: Orbital-projected DOS for structure III. Figure S8: Element-projected DOS for structure III. Table S13: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure III. Table S14: ΔE (in meV), space group and space group number, SG (#) and optimised cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG; in eV) for optimised structure IV. Table S15: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure IV, using the same labelling as in Figure S9. Table S16: Bond angles (in °) in the octahedron in structure IV, with fluorine denoted with just a number and the numbering being the same as in Figure S9. Table S17: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure IV. Figure S9: Unit cell of structure IV, with the numbering of fluorine atoms. Figure S10: Crystal structure of IV, shown as a super cell, with blue and red octahedra denoting the opposite orientation of magnetic moments on Ni atoms. Figure S11: Orbital-projected DOS for structure IV. Figure S12: Element-projected DOS for structure IV. Table S18: ΔE (in meV), space group and space group number, SG (#) and optimised cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG; in eV) for optimised structure V. Table S19: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure I, with the same numbering of fluorine atoms as in Figure 1 in the main text. Table S20: Bond angles (in °) in the octahedron in structure I, with fluorine denoted with just a number and the numbering being the same as in Figure 1 in the main text. Table S21: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure I. Table S22: ΔE (in meV), space group and space group number, SG (#) and optimised cell parameters, lengths in Å, volume in ų, angles in °, total magnetic moment μ (in μ_B), and band gap (BG, in eV) for optimised structure VI. Table S23: Bond distances (in Å) between the Ni centre and the surrounding fluorine atoms in the octahedron in structure VI, using the same labels of F atoms as in Figure S13. Table S24: Magnetic moments (in μ_B) and Bader charges on all the atoms for structure VI. Figure S13: Unit cell of structure VI, with the numbering of fluorine atoms. Figure S14: Crystal structure of VI, shown as a supercell, with blue and red octahedra denoting the opposite orientations of magnetic moments on Ni atoms. Figure S15: Orbital-projected DOS for structure VI. Figure S16: Element-projected DOS for structure VI. Reference [31] is cited in the supplementary materials.

Addition of Reference

A new reference should be added in References part according to the content in Supplementary Materials file:

• 31. Taylor, J.C.; Wilson, P.W. The structures of fluorides—IV: A neutron diffraction study of K₂NiF₆. J. Inorg. Nucl. Chem. 1974, 36, 1561–1563. https://doi.org/10.1016/0022-1902(74)80623-8.

To rectify this, the original paper has been updated accordingly, and the Supplementary Materials have now been properly cited in the backmatter. We apologize for this omission and appreciate the understanding of our readers.

The authors state that the scientific conclusions are unaffected. This correction was approved by the Academic Editor. The original publication has also been updated.