The material structure described by CaLa3(CoO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(16), one O(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(15), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(16), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(16), one O(2), one O(3), one O(4), and one O(5) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(2), one O(3), one O(4), and one O(7) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(14), one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(16), one O(3), one O(5), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(3), one La(4), one La(5), one La(6), and one Co(3) atom to form distorted OCaLa4Co octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(13)CaLa3Co2 octahedra,  a cornercorner with one O(15)CaLa3Co2 octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with three equivalent O(10)CaLa3Co2 octahedra, corners with three equivalent O(12)CaLa3Co2 octahedra, corners with four equivalent O(2)CaLa4Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(3)La5Co octahedra, edges with two equivalent O(4)La5Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the second O site, O(2) is bonded to one Ca(2), one La(3), one La(4), one La(5), one La(6), and one Co(4) atom to form distorted OCaLa4Co octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(14)CaLa3Co2 octahedra,  a cornercorner with one O(16)CaLa3Co2 octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with three equivalent O(11)CaLa3Co2 octahedra, corners with three equivalent O(9)CaLa3Co2 octahedra, corners with four equivalent O(1)CaLa4Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(3)La5Co octahedra, edges with two equivalent O(4)La5Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(16)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the third O site, O(3) is bonded to one La(1), one La(3), one La(4), one La(5), one La(6), and one Co(1) atom to form distorted OLa5Co octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(12)CaLa3Co2 octahedra,  a cornercorner with one O(9)CaLa3Co2 octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with three equivalent O(14)CaLa3Co2 octahedra, corners with three equivalent O(15)CaLa3Co2 octahedra, corners with four equivalent O(4)La5Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(2)CaLa4Co octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fourth O site, O(4) is bonded to one La(2), one La(3), one La(4), one La(5), one La(6), and one Co(2) atom to form distorted OLa5Co octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(10)CaLa3Co2 octahedra,  a cornercorner with one O(11)CaLa3Co2 octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with three equivalent O(13)CaLa3Co2 octahedra, corners with three equivalent O(16)CaLa3Co2 octahedra, corners with four equivalent O(3)La5Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(2)CaLa4Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(15)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(3), and one Co(1) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(13)CaLa3Co2 octahedra,  a cornercorner with one O(16)CaLa3Co2 octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with three equivalent O(10)CaLa3Co2 octahedra, corners with three equivalent O(11)CaLa3Co2 octahedra, corners with four equivalent O(6)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(7)Ca2La3Co octahedra, edges with two equivalent O(8)Ca2La3Co octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-52°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(4), and one Co(2) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(14)CaLa3Co2 octahedra,  a cornercorner with one O(15)CaLa3Co2 octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with three equivalent O(12)CaLa3Co2 octahedra, corners with three equivalent O(9)CaLa3Co2 octahedra, corners with four equivalent O(5)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(7)Ca2La3Co octahedra, edges with two equivalent O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(15)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-53°. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(5), and one Co(4) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(10)CaLa3Co2 octahedra,  a cornercorner with one O(12)CaLa3Co2 octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with three equivalent O(13)CaLa3Co2 octahedra, corners with three equivalent O(15)CaLa3Co2 octahedra, corners with four equivalent O(8)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(5)Ca2La3Co octahedra, edges with two equivalent O(6)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(16)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(6), and one Co(3) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(11)CaLa3Co2 octahedra,  a cornercorner with one O(9)CaLa3Co2 octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with three equivalent O(14)CaLa3Co2 octahedra, corners with three equivalent O(16)CaLa3Co2 octahedra, corners with four equivalent O(7)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(5)Ca2La3Co octahedra, edges with two equivalent O(6)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the ninth O site, O(9) is bonded to one Ca(2), one La(1), one La(4), one La(6), one Co(1), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(7)Ca2La3Co octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(4)La5Co octahedra, corners with three equivalent O(6)Ca2La3Co octahedra, corners with three equivalent O(2)CaLa4Co octahedra, edges with two equivalent O(14)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-53°. In the tenth O site, O(10) is bonded to one Ca(1), one La(2), one La(3), one La(5), one Co(2), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(8)Ca2La3Co octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(3)La5Co octahedra, corners with three equivalent O(5)Ca2La3Co octahedra, corners with three equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(13)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the eleventh O site, O(11) is bonded to one Ca(2), one La(2), one La(3), one La(6), one Co(2), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(7)Ca2La3Co octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with two equivalent O(3)La5Co octahedra, corners with three equivalent O(5)Ca2La3Co octahedra, corners with three equivalent O(2)CaLa4Co octahedra, edges with two equivalent O(16)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the twelfth O site, O(12) is bonded to one Ca(1), one La(1), one La(4), one La(5), one Co(1), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(8)Ca2La3Co octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with two equivalent O(4)La5Co octahedra, corners with three equivalent O(6)Ca2La3Co octahedra, corners with three equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(15)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the thirteenth O site, O(13) is bonded to one Ca(1), one La(2), one La(3), one La(5), one Co(1), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(6)Ca2La3Co octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with two equivalent O(2)CaLa4Co octahedra, corners with three equivalent O(7)Ca2La3Co octahedra, corners with three equivalent O(4)La5Co octahedra, edges with two equivalent O(10)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the fourteenth O site, O(14) is bonded to one Ca(2), one La(1), one La(4), one La(6), one Co(2), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(5)Ca2La3Co octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(1)CaLa4Co octahedra, corners with three equivalent O(8)Ca2La3Co octahedra, corners with three equivalent O(3)La5Co octahedra, edges with two equivalent O(9)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-54°. In the fifteenth O site, O(15) is bonded to one Ca(1), one La(1), one La(4), one La(5), one Co(2), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(5)Ca2La3Co octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with two equivalent O(2)CaLa4Co octahedra, corners with three equivalent O(7)Ca2La3Co octahedra, corners with three equivalent O(3)La5Co octahedra, edges with two equivalent O(12)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the sixteenth O site, O(16) is bonded to one Ca(2), one La(2), one La(3), one La(6), one Co(1), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(6)Ca2La3Co octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with two equivalent O(1)CaLa4Co octahedra, corners with three equivalent O(8)Ca2La3Co octahedra, corners with three equivalent O(4)La5Co octahedra, edges with two equivalent O(11)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLa3(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.419
_cell_length_c   6.909
_cell_angle_alpha   113.058
_cell_angle_beta   90.006
_cell_angle_gamma   90.032
_symmetry_Int_Tables_number   1
_cell_volume   186.210
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.497  0.859  0.716  1.0
  Co  Co1  1  0.999  0.999  0.988  1.0
  Co  Co2  1  0.500  0.500  0.990  1.0
  La  La3  1  0.002  0.362  0.723  1.0
  La  La4  1  0.999  0.647  0.285  1.0
  La  La5  1  0.501  0.142  0.279  1.0
  O  O6  1  0.502  0.684  0.349  1.0
  O  O7  1  0.997  0.185  0.361  1.0
  O  O8  1  0.004  0.833  0.647  1.0
  O  O9  1  0.497  0.333  0.648  1.0
  O  O10  1  0.244  0.250  0.005  1.0
  O  O11  1  0.756  0.249  0.003  1.0
  O  O12  1  0.758  0.759  0.001  1.0
  O  O13  1  0.243  0.763  0.004  1.0
[/CIF]
.
The material structure described by CaLa3(CoO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(16), one O(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(15), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(16), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(16), one O(2), one O(3), one O(4), and one O(5) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(2), one O(3), one O(4), and one O(7) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(14), one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(16), one O(3), one O(5), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(4), and one O(6) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Co site, Co(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(3), one La(4), one La(5), one La(6), and one Co(3) atom to form distorted OCaLa4Co octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(13)CaLa3Co2 octahedra,  a cornercorner with one O(15)CaLa3Co2 octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with three equivalent O(10)CaLa3Co2 octahedra, corners with three equivalent O(12)CaLa3Co2 octahedra, corners with four equivalent O(2)CaLa4Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(3)La5Co octahedra, edges with two equivalent O(4)La5Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the second O site, O(2) is bonded to one Ca(2), one La(3), one La(4), one La(5), one La(6), and one Co(4) atom to form distorted OCaLa4Co octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(14)CaLa3Co2 octahedra,  a cornercorner with one O(16)CaLa3Co2 octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with three equivalent O(11)CaLa3Co2 octahedra, corners with three equivalent O(9)CaLa3Co2 octahedra, corners with four equivalent O(1)CaLa4Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(3)La5Co octahedra, edges with two equivalent O(4)La5Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(16)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the third O site, O(3) is bonded to one La(1), one La(3), one La(4), one La(5), one La(6), and one Co(1) atom to form distorted OLa5Co octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(12)CaLa3Co2 octahedra,  a cornercorner with one O(9)CaLa3Co2 octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with three equivalent O(14)CaLa3Co2 octahedra, corners with three equivalent O(15)CaLa3Co2 octahedra, corners with four equivalent O(4)La5Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(2)CaLa4Co octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fourth O site, O(4) is bonded to one La(2), one La(3), one La(4), one La(5), one La(6), and one Co(2) atom to form distorted OLa5Co octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(10)CaLa3Co2 octahedra,  a cornercorner with one O(11)CaLa3Co2 octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with three equivalent O(13)CaLa3Co2 octahedra, corners with three equivalent O(16)CaLa3Co2 octahedra, corners with four equivalent O(3)La5Co octahedra,  an edgeedge with one O(5)Ca2La3Co octahedra,  an edgeedge with one O(6)Ca2La3Co octahedra,  an edgeedge with one O(7)Ca2La3Co octahedra,  an edgeedge with one O(8)Ca2La3Co octahedra, edges with two equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(2)CaLa4Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(15)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(3), and one Co(1) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(13)CaLa3Co2 octahedra,  a cornercorner with one O(16)CaLa3Co2 octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with three equivalent O(10)CaLa3Co2 octahedra, corners with three equivalent O(11)CaLa3Co2 octahedra, corners with four equivalent O(6)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(7)Ca2La3Co octahedra, edges with two equivalent O(8)Ca2La3Co octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-52°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(4), and one Co(2) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(14)CaLa3Co2 octahedra,  a cornercorner with one O(15)CaLa3Co2 octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with three equivalent O(12)CaLa3Co2 octahedra, corners with three equivalent O(9)CaLa3Co2 octahedra, corners with four equivalent O(5)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(7)Ca2La3Co octahedra, edges with two equivalent O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(15)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-53°. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(5), and one Co(4) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(10)CaLa3Co2 octahedra,  a cornercorner with one O(12)CaLa3Co2 octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with three equivalent O(13)CaLa3Co2 octahedra, corners with three equivalent O(15)CaLa3Co2 octahedra, corners with four equivalent O(8)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(5)Ca2La3Co octahedra, edges with two equivalent O(6)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra, and  a faceface with one O(16)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one La(1), one La(2), one La(6), and one Co(3) atom to form distorted OCa2La3Co octahedra that share  a cornercorner with one O(11)CaLa3Co2 octahedra,  a cornercorner with one O(9)CaLa3Co2 octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with three equivalent O(14)CaLa3Co2 octahedra, corners with three equivalent O(16)CaLa3Co2 octahedra, corners with four equivalent O(7)Ca2La3Co octahedra,  an edgeedge with one O(1)CaLa4Co octahedra,  an edgeedge with one O(2)CaLa4Co octahedra,  an edgeedge with one O(3)La5Co octahedra,  an edgeedge with one O(4)La5Co octahedra, edges with two equivalent O(5)Ca2La3Co octahedra, edges with two equivalent O(6)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra, and  a faceface with one O(9)CaLa3Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the ninth O site, O(9) is bonded to one Ca(2), one La(1), one La(4), one La(6), one Co(1), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(7)Ca2La3Co octahedra, corners with two equivalent O(13)CaLa3Co2 octahedra, corners with two equivalent O(4)La5Co octahedra, corners with three equivalent O(6)Ca2La3Co octahedra, corners with three equivalent O(2)CaLa4Co octahedra, edges with two equivalent O(14)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-53°. In the tenth O site, O(10) is bonded to one Ca(1), one La(2), one La(3), one La(5), one Co(2), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(8)Ca2La3Co octahedra, corners with two equivalent O(14)CaLa3Co2 octahedra, corners with two equivalent O(3)La5Co octahedra, corners with three equivalent O(5)Ca2La3Co octahedra, corners with three equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(13)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the eleventh O site, O(11) is bonded to one Ca(2), one La(2), one La(3), one La(6), one Co(2), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(8)Ca2La3Co octahedra,  a cornercorner with one O(4)La5Co octahedra, corners with two equivalent O(7)Ca2La3Co octahedra, corners with two equivalent O(15)CaLa3Co2 octahedra, corners with two equivalent O(3)La5Co octahedra, corners with three equivalent O(5)Ca2La3Co octahedra, corners with three equivalent O(2)CaLa4Co octahedra, edges with two equivalent O(16)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the twelfth O site, O(12) is bonded to one Ca(1), one La(1), one La(4), one La(5), one Co(1), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(7)Ca2La3Co octahedra,  a cornercorner with one O(3)La5Co octahedra, corners with two equivalent O(8)Ca2La3Co octahedra, corners with two equivalent O(16)CaLa3Co2 octahedra, corners with two equivalent O(4)La5Co octahedra, corners with three equivalent O(6)Ca2La3Co octahedra, corners with three equivalent O(1)CaLa4Co octahedra, edges with two equivalent O(15)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the thirteenth O site, O(13) is bonded to one Ca(1), one La(2), one La(3), one La(5), one Co(1), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(6)Ca2La3Co octahedra, corners with two equivalent O(9)CaLa3Co2 octahedra, corners with two equivalent O(2)CaLa4Co octahedra, corners with three equivalent O(7)Ca2La3Co octahedra, corners with three equivalent O(4)La5Co octahedra, edges with two equivalent O(10)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the fourteenth O site, O(14) is bonded to one Ca(2), one La(1), one La(4), one La(6), one Co(2), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(5)Ca2La3Co octahedra, corners with two equivalent O(10)CaLa3Co2 octahedra, corners with two equivalent O(1)CaLa4Co octahedra, corners with three equivalent O(8)Ca2La3Co octahedra, corners with three equivalent O(3)La5Co octahedra, edges with two equivalent O(9)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(11)CaLa3Co2 octahedra,  a faceface with one O(12)CaLa3Co2 octahedra,  a faceface with one O(15)CaLa3Co2 octahedra,  a faceface with one O(16)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-54°. In the fifteenth O site, O(15) is bonded to one Ca(1), one La(1), one La(4), one La(5), one Co(2), and one Co(3) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(6)Ca2La3Co octahedra,  a cornercorner with one O(1)CaLa4Co octahedra, corners with two equivalent O(5)Ca2La3Co octahedra, corners with two equivalent O(11)CaLa3Co2 octahedra, corners with two equivalent O(2)CaLa4Co octahedra, corners with three equivalent O(7)Ca2La3Co octahedra, corners with three equivalent O(3)La5Co octahedra, edges with two equivalent O(12)CaLa3Co2 octahedra,  a faceface with one O(6)Ca2La3Co octahedra,  a faceface with one O(8)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(1)CaLa4Co octahedra, and  a faceface with one O(4)La5Co octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the sixteenth O site, O(16) is bonded to one Ca(2), one La(2), one La(3), one La(6), one Co(1), and one Co(4) atom to form distorted OCaLa3Co2 octahedra that share  a cornercorner with one O(5)Ca2La3Co octahedra,  a cornercorner with one O(2)CaLa4Co octahedra, corners with two equivalent O(6)Ca2La3Co octahedra, corners with two equivalent O(12)CaLa3Co2 octahedra, corners with two equivalent O(1)CaLa4Co octahedra, corners with three equivalent O(8)Ca2La3Co octahedra, corners with three equivalent O(4)La5Co octahedra, edges with two equivalent O(11)CaLa3Co2 octahedra,  a faceface with one O(5)Ca2La3Co octahedra,  a faceface with one O(7)Ca2La3Co octahedra,  a faceface with one O(10)CaLa3Co2 octahedra,  a faceface with one O(13)CaLa3Co2 octahedra,  a faceface with one O(14)CaLa3Co2 octahedra,  a faceface with one O(9)CaLa3Co2 octahedra,  a faceface with one O(2)CaLa4Co octahedra, and  a faceface with one O(3)La5Co octahedra. The corner-sharing octahedral tilt angles range from 3-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaLa3(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.419
_cell_length_c   6.909
_cell_angle_alpha   113.058
_cell_angle_beta   90.006
_cell_angle_gamma   90.032
_symmetry_Int_Tables_number   1
_cell_volume   186.210
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.497  0.859  0.716  1.0
  Co  Co1  1  0.999  0.999  0.988  1.0
  Co  Co2  1  0.500  0.500  0.990  1.0
  La  La3  1  0.002  0.362  0.723  1.0
  La  La4  1  0.999  0.647  0.285  1.0
  La  La5  1  0.501  0.142  0.279  1.0
  O  O6  1  0.502  0.684  0.349  1.0
  O  O7  1  0.997  0.185  0.361  1.0
  O  O8  1  0.004  0.833  0.647  1.0
  O  O9  1  0.497  0.333  0.648  1.0
  O  O10  1  0.244  0.250  0.005  1.0
  O  O11  1  0.756  0.249  0.003  1.0
  O  O12  1  0.758  0.759  0.001  1.0
  O  O13  1  0.243  0.763  0.004  1.0
[/CIF]
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