Rational Design of (NH₄)Cu[PO₄] with a Spin Gapped, Distorted Honeycomb Layer

Abstract

Water (H 2 O) molecules are often used to depolymerize crystal structures. Conversely, polycondensation of basic building units of crystal structures can be realized by removing water molecules from hydrous compounds. Herein, we report our rational design and synthesis of a novel copper phosphate (NH 4 )Cu[PO 4 ] from a hydrothermal route with minimal water used. The title compound keeps the layered structural feature of its hydrous analogue (NH 4 )Cu[PO 4 ]·H 2 O, but the isolated centrosymmetric [Cu 2 O 8 ] dimers in the latter further polymerize into a two-dimensional (2D) corrugated honeycomb layer in the [a] Fujian

H{[Na(H2O)3]6F}(PO4)2 ⋅ 2(H2O): A New Polycation‐Type Phosphate with Deep Ultraviolet Transparency

“…It is worthy to be noted that all 'O2' atoms of the 'P2'O 4 group in FNPO are average split into three sets by a symmetry operator, which rationalize the structure of 'P2'O 4 tetrahedra as well as structural indicators like temperature factors of 'O2' atoms and the final R indexes. The average PÀ O bonds length is about 1.53 Å, which is comparable to those in crystals like (NH 4 )Cu[PO 4 ], [27] and Na 3 Fe 2 (PO 4 ) 3 . [28] Clearly, FNPO shares similar structural and chemical formula features with those polycation-type infrared chalcogenides, which makes it a polycation-type oxide.…”