The material described by Ba4Mg(Co2O5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(9), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing CoO4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Mg(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(4), one Mg(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Ba4Mg(Co2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   5.751
_cell_length_c   10.138
_cell_angle_alpha   106.521
_cell_angle_beta   105.681
_cell_angle_gamma   89.883
_symmetry_Int_Tables_number   1
_cell_volume   294.928
_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
  Ba  Ba0  1  0.622  0.129  0.223  1.0
  Ba  Ba1  1  0.421  0.907  0.803  1.0
  Ba  Ba2  1  0.118  0.605  0.198  1.0
  Ba  Ba3  1  0.899  0.405  0.777  1.0
  Mg  Mg4  1  0.069  0.558  0.501  1.0
  Co  Co5  1  0.016  0.011  0.000  1.0
  Co  Co6  1  0.516  0.510  1.000  1.0
  Co  Co7  1  0.198  0.129  0.499  1.0
  Co  Co8  1  0.687  0.838  0.500  1.0
  O  O9  1  0.268  0.265  0.996  1.0
  O  O10  1  0.262  0.768  0.002  1.0
  O  O11  1  0.770  0.254  0.998  1.0
  O  O12  1  0.762  0.757  0.004  1.0
  O  O13  1  0.157  0.222  0.336  1.0
  O  O14  1  0.911  0.772  0.660  1.0
  O  O15  1  0.754  0.610  0.342  1.0
  O  O16  1  0.317  0.389  0.661  1.0
  O  O17  1  0.836  0.139  0.500  1.0
  O  O18  1  0.329  0.816  0.500  1.0
[/CIF]
.
The material described by Ba4Mg(Co2O5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(9), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing CoO4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Mg(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(4), one Mg(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_Ba4Mg(Co2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   5.751
_cell_length_c   10.138
_cell_angle_alpha   106.521
_cell_angle_beta   105.681
_cell_angle_gamma   89.883
_symmetry_Int_Tables_number   1
_cell_volume   294.928
_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
  Ba  Ba0  1  0.622  0.129  0.223  1.0
  Ba  Ba1  1  0.421  0.907  0.803  1.0
  Ba  Ba2  1  0.118  0.605  0.198  1.0
  Ba  Ba3  1  0.899  0.405  0.777  1.0
  Mg  Mg4  1  0.069  0.558  0.501  1.0
  Co  Co5  1  0.016  0.011  0.000  1.0
  Co  Co6  1  0.516  0.510  1.000  1.0
  Co  Co7  1  0.198  0.129  0.499  1.0
  Co  Co8  1  0.687  0.838  0.500  1.0
  O  O9  1  0.268  0.265  0.996  1.0
  O  O10  1  0.262  0.768  0.002  1.0
  O  O11  1  0.770  0.254  0.998  1.0
  O  O12  1  0.762  0.757  0.004  1.0
  O  O13  1  0.157  0.222  0.336  1.0
  O  O14  1  0.911  0.772  0.660  1.0
  O  O15  1  0.754  0.610  0.342  1.0
  O  O16  1  0.317  0.389  0.661  1.0
  O  O17  1  0.836  0.139  0.500  1.0
  O  O18  1  0.329  0.816  0.500  1.0
[/CIF]
.