The crystal structure described by CaV4(CoO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(17), one O(20), one O(22), one O(23), one O(4), one O(6), one O(7), and one O(9) atom to form CaO12 cuboctahedra that share  a faceface with one V(1)O6 octahedra,  a faceface with one V(2)O6 octahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra,  a faceface with one V(6)O6 octahedra,  a faceface with one V(7)O6 octahedra, and  a faceface with one V(8)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(10), one O(11), one O(13), one O(16), one O(18), one O(19), one O(2), one O(21), one O(24), one O(3), one O(5), and one O(8) atom to form CaO12 cuboctahedra that share  a faceface with one V(1)O6 octahedra,  a faceface with one V(2)O6 octahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra,  a faceface with one V(6)O6 octahedra,  a faceface with one V(7)O6 octahedra, and  a faceface with one V(8)O6 octahedra. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(18), one O(20), one O(5), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third V site, V(3) is bonded to one O(11), one O(22), one O(24), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(21), one O(23), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the fifth V site, V(5) is bonded to one O(1), one O(14), one O(16), one O(21), one O(23), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the sixth V site, V(6) is bonded to one O(13), one O(15), one O(2), one O(22), one O(24), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the seventh V site, V(7) is bonded to one O(1), one O(11), one O(17), one O(19), one O(3), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(18), one O(19), one O(21), and one O(24) atom. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(2), one O(3), one O(5), and one O(8) atom. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(10), one O(11), one O(13), and one O(16) atom. In the fourth Co site, Co(4) is bonded in a square co-planar geometry to one O(17), one O(20), one O(22), and one O(23) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(1), one O(4), one O(6), and one O(7) atom. In the sixth Co site, Co(6) is bonded in a square co-planar geometry to one O(12), one O(14), one O(15), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one V(5), one V(7), and one Co(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), one V(6), one V(8), and one Co(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(2), one V(5), one V(7), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one V(6), one V(8), and one Co(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), one V(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one V(1), one V(4), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one V(3), one V(7), and one Co(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(2), one V(4), one V(8), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(2), one V(3), one V(7), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ca(1), one V(4), one V(8), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ca(2), one V(1), one V(6), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(5), and one Co(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), one V(6), and one Co(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(5), and one Co(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one V(7), and one Co(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(8), and one Co(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ca(2), one V(1), one V(7), and one Co(1) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(8), and one Co(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ca(2), one V(4), one V(5), and one Co(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(1), one V(3), one V(6), and one Co(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ca(1), one V(4), one V(5), and one Co(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ca(2), one V(3), one V(6), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV4(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.445
_cell_length_c   6.457
_cell_angle_alpha   109.448
_cell_angle_beta   109.417
_cell_angle_gamma   109.095
_symmetry_Int_Tables_number   1
_cell_volume   207.438
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.501  0.001  0.500  1.0
  Co  Co3  1  1.000  0.500  0.500  1.0
  O  O4  1  0.698  0.817  0.515  1.0
  O  O5  1  0.302  0.183  0.486  1.0
  O  O6  1  0.695  0.180  0.889  1.0
  O  O7  1  0.304  0.820  0.111  1.0
  O  O8  1  0.179  0.887  0.696  1.0
  O  O9  1  0.820  0.113  0.304  1.0
  O  O10  1  0.814  0.516  0.698  1.0
  O  O11  1  0.185  0.482  0.301  1.0
  O  O12  1  0.111  0.304  0.820  1.0
  O  O13  1  0.889  0.697  0.180  1.0
  O  O14  1  0.484  0.303  0.185  1.0
  O  O15  1  0.517  0.697  0.815  1.0
  V  V16  1  0.000  0.500  1.000  1.0
  V  V17  1  0.500  0.000  1.000  1.0
  V  V18  1  0.500  0.500  0.500  1.0
  V  V19  1  0.000  0.000  0.500  1.0
[/CIF]
.
The crystal structure described by CaV4(CoO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(17), one O(20), one O(22), one O(23), one O(4), one O(6), one O(7), and one O(9) atom to form CaO12 cuboctahedra that share  a faceface with one V(1)O6 octahedra,  a faceface with one V(2)O6 octahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra,  a faceface with one V(6)O6 octahedra,  a faceface with one V(7)O6 octahedra, and  a faceface with one V(8)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(10), one O(11), one O(13), one O(16), one O(18), one O(19), one O(2), one O(21), one O(24), one O(3), one O(5), and one O(8) atom to form CaO12 cuboctahedra that share  a faceface with one V(1)O6 octahedra,  a faceface with one V(2)O6 octahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(4)O6 octahedra,  a faceface with one V(5)O6 octahedra,  a faceface with one V(6)O6 octahedra,  a faceface with one V(7)O6 octahedra, and  a faceface with one V(8)O6 octahedra. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(18), one O(20), one O(5), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the third V site, V(3) is bonded to one O(11), one O(22), one O(24), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(21), one O(23), one O(6), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the fifth V site, V(5) is bonded to one O(1), one O(14), one O(16), one O(21), one O(23), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the sixth V site, V(6) is bonded to one O(13), one O(15), one O(2), one O(22), one O(24), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(8)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the seventh V site, V(7) is bonded to one O(1), one O(11), one O(17), one O(19), one O(3), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, and  a faceface with one Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(18), one O(19), one O(21), and one O(24) atom. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(2), one O(3), one O(5), and one O(8) atom. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(10), one O(11), one O(13), and one O(16) atom. In the fourth Co site, Co(4) is bonded in a square co-planar geometry to one O(17), one O(20), one O(22), and one O(23) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(1), one O(4), one O(6), and one O(7) atom. In the sixth Co site, Co(6) is bonded in a square co-planar geometry to one O(12), one O(14), one O(15), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one V(5), one V(7), and one Co(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), one V(6), one V(8), and one Co(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(2), one V(5), one V(7), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one V(6), one V(8), and one Co(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), one V(4), and one Co(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(2), one V(1), one V(4), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one V(3), one V(7), and one Co(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(2), one V(4), one V(8), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(2), one V(3), one V(7), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ca(1), one V(4), one V(8), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ca(2), one V(1), one V(6), and one Co(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(5), and one Co(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), one V(6), and one Co(6) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(5), and one Co(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one V(7), and one Co(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(2), one V(2), one V(8), and one Co(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ca(2), one V(1), one V(7), and one Co(1) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Ca(1), one V(2), one V(8), and one Co(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ca(2), one V(4), one V(5), and one Co(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(1), one V(3), one V(6), and one Co(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Ca(1), one V(4), one V(5), and one Co(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Ca(2), one V(3), one V(6), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV4(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.445
_cell_length_c   6.457
_cell_angle_alpha   109.448
_cell_angle_beta   109.417
_cell_angle_gamma   109.095
_symmetry_Int_Tables_number   1
_cell_volume   207.438
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.501  0.001  0.500  1.0
  Co  Co3  1  1.000  0.500  0.500  1.0
  O  O4  1  0.698  0.817  0.515  1.0
  O  O5  1  0.302  0.183  0.486  1.0
  O  O6  1  0.695  0.180  0.889  1.0
  O  O7  1  0.304  0.820  0.111  1.0
  O  O8  1  0.179  0.887  0.696  1.0
  O  O9  1  0.820  0.113  0.304  1.0
  O  O10  1  0.814  0.516  0.698  1.0
  O  O11  1  0.185  0.482  0.301  1.0
  O  O12  1  0.111  0.304  0.820  1.0
  O  O13  1  0.889  0.697  0.180  1.0
  O  O14  1  0.484  0.303  0.185  1.0
  O  O15  1  0.517  0.697  0.815  1.0
  V  V16  1  0.000  0.500  1.000  1.0
  V  V17  1  0.500  0.000  1.000  1.0
  V  V18  1  0.500  0.500  0.500  1.0
  V  V19  1  0.000  0.000  0.500  1.0
[/CIF]
.