CaCo3(SiO3)4 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(12), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the second Si site, Si(2) is bonded to one O(10), one O(11), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-59°. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Co(1), one Co(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OCaCo2Si trigonal pyramids. In the second O site, O(2) is bonded to one Ca(1), one Co(1), one Co(2), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OCaCo2Si trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(1), one Si(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ca(1), one Si(1), and one Si(4) atom.
CaCo3(SiO3)4 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. The Ca(1)-O(1) bond length is 2.36 Å. The Ca(1)-O(10) bond length is 2.57 Å. The Ca(1)-O(11) bond length is 2.76 Å. The Ca(1)-O(12) bond length is 2.74 Å. The Ca(1)-O(2) bond length is 2.35 Å. The Ca(1)-O(7) bond length is 2.28 Å. The Ca(1)-O(8) bond length is 2.29 Å. The Ca(1)-O(9) bond length is 2.57 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Co(2)O6 octahedra. The Co(1)-O(1) bond length is 2.22 Å. The Co(1)-O(2) bond length is 2.22 Å. The Co(1)-O(3) bond length is 2.08 Å. The Co(1)-O(4) bond length is 2.07 Å. The Co(1)-O(5) bond length is 2.14 Å. The Co(1)-O(6) bond length is 2.13 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The Co(2)-O(1) bond length is 2.10 Å. The Co(2)-O(2) bond length is 2.11 Å. The Co(2)-O(3) bond length is 2.20 Å. The Co(2)-O(4) bond length is 2.20 Å. The Co(2)-O(7) bond length is 2.08 Å. The Co(2)-O(8) bond length is 2.06 Å. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Co(3)-O(3) bond length is 2.07 Å. The Co(3)-O(4) bond length is 2.07 Å. The Co(3)-O(5) bond length is 2.03 Å. The Co(3)-O(6) bond length is 2.03 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(12), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(12) bond length is 1.67 Å. The Si(1)-O(5) bond length is 1.63 Å. The Si(1)-O(9) bond length is 1.68 Å. In the second Si site, Si(2) is bonded to one O(10), one O(11), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. The Si(2)-O(10) bond length is 1.68 Å. The Si(2)-O(11) bond length is 1.67 Å. The Si(2)-O(2) bond length is 1.63 Å. The Si(2)-O(6) bond length is 1.63 Å. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-59°. The Si(3)-O(10) bond length is 1.69 Å. The Si(3)-O(11) bond length is 1.66 Å. The Si(3)-O(3) bond length is 1.64 Å. The Si(3)-O(7) bond length is 1.60 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. The Si(4)-O(12) bond length is 1.66 Å. The Si(4)-O(4) bond length is 1.64 Å. The Si(4)-O(8) bond length is 1.60 Å. The Si(4)-O(9) bond length is 1.69 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Co(1), one Co(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OCaCo2Si trigonal pyramids. In the second O site, O(2) is bonded to one Ca(1), one Co(1), one Co(2), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OCaCo2Si trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one Co(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(1), one Si(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ca(1), one Si(1), and one Si(4) atom.