The {1 0 4} cleavage rhombohedron of calcite: theoretical equilibrium properties

Structure and reactivity of the calcite–water interface

“…[17][18][19][20][21]). Some of the recent theoretical results are in good agreement with the experimental X-ray surface diffraction results.…”

Theoretical surface morphology of {011¯2} acute rhombohedron of calcite

“…The cleavage {1 0 1 4} and the steep {0 1 1 2} rhombohedra, along with the flat {0 1 1 8} and the acute {1 0 1 1} ones, belong to the growth morphology of calcite crystals most frequently observed in nature, while the two first forms largely dominate the morphology of crystals obtained in laboratory both from aqueous solution or gel growth [1,2].…”

“…Periodic bond chains, character and surface profiles of the {1 0 1 4} and {0 1 1 2} forms It is well known for a long time that the {1 0 1 4} rhombohedron is a flat form (F character) in the sense of Hartman-Perdok theory [9]. In fact, four PBCs run within a slice d 1014 ¼ 0.303 nm thick: the two strongest out of them develop along the equivalent directions /4 4 1S and the other two along /4 2 1S and /0 1 0S directions [1,8]. As found by Heijnen [8], two kinds of PBCs run within a slice d 0112 ¼ 0.385 nm thick, along the /4 2 1S and /0 1 0S directions that correspond to the edges and to the short diagonal of the {0 1 1 2} form, respectively.…”

“…The structure of the /4 4 1S PBC, the strongest one in the calcite crystal [1], can be described as a succession of positive (Ca 2+ ) and negative (CO 3 2À ) ions with their centres of mass alternating along a common row with a repeat 1/3 [4 4 1] ¼ 1.283 nm period (Fig. 2a, b).…”

2D epitaxy of lithium carbonate inducing growth mechanism transitions on {0001}-K and -S forms of calcite crystals

“…In preceding papers [17,18] strong h4 4 1i PBCs were found in the crystal structure of calcite. The strength of a PBC depends on the energy released when an ion enters, in a crystal site, at one end of the semi-infinite periodic bond chain (end chain energy ¼ ECE).…”