Related Experiment Video
Updated: Aug 6, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Systematic prediction of new inorganic ferroelectrics in point group 4
1Physics Department, Southern Oregon University, Ashland, OR 97520, USA. sca@mind.net
Abstract:
The latest release of the Inorganic Crystal Structure Database contains a total of 87 entries corresponding to 70 different materials in point group 4. The structures reported for 11 materials in space group P4 satisfy the criteria for ferroelectricity, as do four in P4(1), one each in P4(2) and P4(3), 12 in I4, including seven that form three families, and another three in I4(1). Three previously known ferroelectrics were also listed in I4 and one in I4(1). In addition, the listing for point group 4 contains 22 entries for nonferroelectric materials and three with misassigned space groups. Among the newly predicted ferroelectrics in point group 4, assuming the validity of the underlying structural reports, are Ce(5)B(2)C(6), modulated NbTe(4), Na(3)Nb(12)O(31)F, Ca(2)FeO(3)Cl, K(4)CuV(5)O(15)Cl, TlBO(2), CrOF(3), PbTeO(3), VO(HPO(3))(H(2)O).3H(2)O, MgB(2)O(OH)(6), beta-tetragonal boron, CuBi(2)O(4), WOBr(4), Na(8)PtO(6), SbF(2)Cl(3), Ba(1.2)Ti(8)O(16), Ni[SC(NH(2))(2)](4)Cl(2), Ca(2)SiO(3)Cl(2), the mineral caratiite, NbAs, beta-NbO(2) and Ag(3)BiO(3).
More Related Videos
13:56Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
06:53Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Related Concept Videos
Valence Bond Theory
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
Ferromagnetism
Crystallographic Point Groups