Synthesis and ab initio X-ray powder diffraction structure of the new alkali and alkali earth metal borate NaCa(BO3).
A sodium calcium borate, NaCaBO3, has been synthesized by the solid-state reaction method and the structure solved from X-ray powder diffraction data. The compound crystallizes in space group Pmmn and has a desired structure type containing isolated planar BO3(3-) anions. Mixed occupancy is found to exist in the Ca site, with partial replacement by Na. One Ca/Na mixed atom and one Na atom are at sites with mm2 symmetry, and a second Ca/Na mixed atom, an Na atom, two B and two O atoms are on mirror planes.
Wu
L
L
Nanoscale Physics and Device Laboratory, Institute of Physics, Chinese Academy of Sciences, PO Box 603, Beijing 100080, People's Republic of China.
Chen
X L
XL
Li
X Z
XZ
Dai
L
L
Xu
Y P
YP
Zhao
M
M