Potassium trinickel(II) orthophosphate diphosphate, KNi3(PO4)P2O7

Area of Science:

• Inorganic Chemistry
• Crystallography
• Materials Science

Background:

• Understanding the structural diversity of inorganic compounds is crucial for developing new materials.
• Phosphate-based materials are known for their versatile structures and applications.

Purpose of the Study:

• To characterize the crystal structure of a novel phosphate compound.
• To elucidate the arrangement of anions, cations, and coordination polyhedra within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
• Analysis of coordination polyhedra and network topology was performed.

Main Results:

• The crystal structure contains both phosphate (PO4^3-) and pyrophosphate (P2O7^4-) anions.
• Edge-sharing [NiO6] octahedra form [Ni3O14] chains parallel to [001].
• A three-dimensional host lattice with intersecting tunnels along [010] and [101] was identified, containing 11-coordinated potassium cations.

Conclusions:

• The determined crystal structure represents a potentially new structural type for phosphates.
• The intricate network of chains and tunnels highlights the complexity of inorganic framework materials.