The material described by Ba2CaY(Co4O7)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(9), and four equivalent O(10) atoms. Ca(1) is bonded to one O(3), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form CaO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, corners with three equivalent Co(6)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. Y(1) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form YO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(5)O4 tetrahedra, and corners with four equivalent Co(4)O4 tetrahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(7), and two equivalent O(4) atoms to form CoO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the third Co site, Co(3) is bonded to one O(1), one O(9), and two equivalent O(6) atoms to form CoO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and corners with four equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the fifth Co site, Co(5) is bonded to one O(1), one O(7), and two equivalent O(8) atoms to form CoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the sixth Co site, Co(6) is bonded to one O(2), one O(9), and two equivalent O(10) atoms to form CoO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Co(3), one Co(5), and two equivalent Co(4) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to one Co(1), one Co(6), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and two equivalent Co(4) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Co(1), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), one Co(2), and one Co(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Ca(1), one Co(3), and one Co(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Ca(1), one Co(4), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CaY(Co4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.413
_cell_length_b   6.413
_cell_length_c   10.381
_cell_angle_alpha   89.405
_cell_angle_beta   89.405
_cell_angle_gamma   60.293
_symmetry_Int_Tables_number   1
_cell_volume   370.836
_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  0.340  0.340  0.019  1.0
  Ba  Ba1  1  0.658  0.658  0.522  1.0
  Ca  Ca2  1  0.333  0.333  0.628  1.0
  Y  Y3  1  0.668  0.668  0.133  1.0
  Co  Co4  1  0.831  0.831  0.812  1.0
  Co  Co5  1  0.338  0.827  0.813  1.0
  Co  Co6  1  0.827  0.338  0.813  1.0
  Co  Co7  1  0.169  0.169  0.314  1.0
  Co  Co8  1  0.664  0.167  0.311  1.0
  Co  Co9  1  0.167  0.664  0.311  1.0
  Co  Co10  1  0.004  0.004  0.054  1.0
  Co  Co11  1  0.996  0.996  0.553  1.0
  O  O12  1  0.002  0.002  0.241  1.0
  O  O13  1  0.996  0.996  0.747  1.0
  O  O14  1  0.506  0.506  0.748  1.0
  O  O15  1  0.977  0.518  0.749  1.0
  O  O16  1  0.518  0.977  0.749  1.0
  O  O17  1  0.495  0.495  0.244  1.0
  O  O18  1  0.010  0.496  0.241  1.0
  O  O19  1  0.496  0.010  0.241  1.0
  O  O20  1  0.840  0.840  0.994  1.0
  O  O21  1  0.323  0.828  0.003  1.0
  O  O22  1  0.828  0.323  0.003  1.0
  O  O23  1  0.160  0.160  0.501  1.0
  O  O24  1  0.683  0.173  0.500  1.0
  O  O25  1  0.173  0.683  0.500  1.0
[/CIF]
.
The material described by Ba2CaY(Co4O7)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(3), one O(5), two equivalent O(4), two equivalent O(6), two equivalent O(9), and four equivalent O(10) atoms. Ca(1) is bonded to one O(3), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form CaO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, corners with three equivalent Co(6)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. Y(1) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form YO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(5)O4 tetrahedra, and corners with four equivalent Co(4)O4 tetrahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(7), and two equivalent O(4) atoms to form CoO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Y(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the third Co site, Co(3) is bonded to one O(1), one O(9), and two equivalent O(6) atoms to form CoO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and corners with four equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form CoO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the fifth Co site, Co(5) is bonded to one O(1), one O(7), and two equivalent O(8) atoms to form CoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the sixth Co site, Co(6) is bonded to one O(2), one O(9), and two equivalent O(10) atoms to form CoO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Co(3), one Co(5), and two equivalent Co(4) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to one Co(1), one Co(6), and two equivalent Co(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and two equivalent Co(4) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Co(1), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), one Co(2), and one Co(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Ca(1), one Co(3), and one Co(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Ca(1), one Co(4), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CaY(Co4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.413
_cell_length_b   6.413
_cell_length_c   10.381
_cell_angle_alpha   89.405
_cell_angle_beta   89.405
_cell_angle_gamma   60.293
_symmetry_Int_Tables_number   1
_cell_volume   370.836
_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  0.340  0.340  0.019  1.0
  Ba  Ba1  1  0.658  0.658  0.522  1.0
  Ca  Ca2  1  0.333  0.333  0.628  1.0
  Y  Y3  1  0.668  0.668  0.133  1.0
  Co  Co4  1  0.831  0.831  0.812  1.0
  Co  Co5  1  0.338  0.827  0.813  1.0
  Co  Co6  1  0.827  0.338  0.813  1.0
  Co  Co7  1  0.169  0.169  0.314  1.0
  Co  Co8  1  0.664  0.167  0.311  1.0
  Co  Co9  1  0.167  0.664  0.311  1.0
  Co  Co10  1  0.004  0.004  0.054  1.0
  Co  Co11  1  0.996  0.996  0.553  1.0
  O  O12  1  0.002  0.002  0.241  1.0
  O  O13  1  0.996  0.996  0.747  1.0
  O  O14  1  0.506  0.506  0.748  1.0
  O  O15  1  0.977  0.518  0.749  1.0
  O  O16  1  0.518  0.977  0.749  1.0
  O  O17  1  0.495  0.495  0.244  1.0
  O  O18  1  0.010  0.496  0.241  1.0
  O  O19  1  0.496  0.010  0.241  1.0
  O  O20  1  0.840  0.840  0.994  1.0
  O  O21  1  0.323  0.828  0.003  1.0
  O  O22  1  0.828  0.323  0.003  1.0
  O  O23  1  0.160  0.160  0.501  1.0
  O  O24  1  0.683  0.173  0.500  1.0
  O  O25  1  0.173  0.683  0.500  1.0
[/CIF]
.