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Calcite [CaCO3]

Structure Trigonal
Space Group : R-3c (No. 167)
a=4.989 Å, c=17.062 Å
a=b=90.0, g=120.0
Z=6
[hexagonal unit cell]

Atomic Positional Parameters
Ca 6b  0.0000 0.0000 0.0000
C  6a  0.0000 0.0000 0.2500
O  18e 0.2593 0.0000 0.2500

Reference
RL Sass, R Vidale and J Donohue (1957) Acta Crystallographica, 10, 567

Mineral Chemistry
CaCO3 occurs in several forms - calcite, aragonite and vaterite - each with distinct crystal structures. In calcite, calcium ions and carbonate (CO3) groups are arranged such that calcite may be considered as a distorted NaCl (halite) structure. Thus calcium ions are coordinated by six oxygens; each oxygen is bonded to two calcium ions.

Calcite is one of the most common minerals, occurring in extensive sedimentary deposits - limestones - derived from shells and skeletons of marine organisms. Metamorphosed limestones recrystallize to form marbles. In carbonatites and nepheline syenites, calcite occurs as a primary igneous phase. Carbonates isostructural with calcite include magnesite (MgCO3), siderite (FeCO3), rhodochrosite (MnCO3) and smithsonite (ZnCO3).

The CHIME figure shows calcium ions as large grey spheres to make clearer the coordination with oxygen.