Materials Data on BaCaCO3 by Materials Project
BaCaCO3 crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two BaCaCO3 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.84 Å. Ca2+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Ca–O bond lengths are 2.35 Å. C2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Ca2+, and one C2+ atom.
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