Synthesis and crystal structure analysis of Li2NaBP2O8 and LiNa2B5P2O14

• Single crystals of new compounds Li2NaBP2O8 and LiNa2B5P2O14 were prepared.
• Li2NaBP2O8 consists of one-dimensional 1∞[BP2O8]3− chains of BO4 and PO4 tetrahedra.
• LiNa2B5P2O14 is composed of 2∞[B5P2O14]3− sheets of BO3, BO4 and PO4.
• The electric conductivity of 1.7×10−6 S cm−1 was measured for Li2NaBP2O8 at 583 K.

Single crystals of Li2NaBP2O8 and LiNa2B5P2O14 were prepared at 873–883 K. The XRD reflections of Li2NaBP2O8 single crystal were indexed with triclinic unit-cell parameters of a=5.4344(3) Å, b=7.3793(4) Å, c=7.9840(4) Å, α=103.243(3)°, β=109.270(4)° and γ=87.391(2)°; (space group P  1¯ (No. 2)). Li2NaBP2O8 consists of one-dimensional 1∞[BP2O8]3− chains of BO4 and PO4 tetrahedra in the direction of the c axis, and Li and Na atoms located around the chains. The XRD reflections of the LiNa2B5P2O14 single crystal were indexed with monoclinic unit-cell parameters of a=8.208(3) Å, b=9.151(3) Å, c=8.349(3) Å and β=115.709(7)°; (space group P21/m (No. 11)). In the crystal structure of LiNa2B5P2O14, BO3 trigonal planer and BO4 and PO4 tetrahedra share O atoms and form two-dimensional sheets of 2∞[B5P2O14]3−. One Li and two Na atoms are situated at a large triangular space in the sheets.

The single crystals of Li2NaBP2O8 and LiNa2B5P2O14 were prepared at 873–883 K. Li2NaBP2O8 consists of one-dimensional 1∞[BP2O8]3− chains of BO4 and PO4 tetrahedra. In the crystal structure of LiNa2B5P2O14, BO3 trigonal planes, BO4 tetrahedra and PO4 tetrahedra share O atoms and form two-dimensional sheets of 2∞[B5P2O14]3−. Figure optionsDownload as PowerPoint slide