The material structure described by BaMgYCrCuO5 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(5) atoms. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cr(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cr(1) atoms to form OBa2Y2Cr2 octahedra that share corners with two equivalent O(2)Ba2Y2Cr2 octahedra, corners with four equivalent O(3)Y2MgCu2 trigonal bipyramids, and edges with two equivalent O(2)Ba2Y2Cr2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form OY2MgCu2 trigonal bipyramids that share corners with four equivalent O(2)Ba2Y2Cr2 octahedra and corners with four equivalent O(3)Y2MgCu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 75°. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMgCrCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.738
_cell_length_b   4.348
_cell_length_c   9.284
_cell_angle_alpha   90.002
_cell_angle_beta   90.011
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   150.883
_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  0.000  0.000  0.831  1.0
  Y  Y1  1  1.000  1.000  0.421  1.0
  Mg  Mg2  1  1.000  0.500  0.109  1.0
  Cr  Cr3  1  0.500  0.500  0.620  1.0
  Cu  Cu4  1  0.500  0.500  0.334  1.0
  O  O5  1  1.000  0.500  0.673  1.0
  O  O6  1  0.500  0.000  0.612  1.0
  O  O7  1  0.000  0.500  0.326  1.0
  O  O8  1  0.500  1.000  0.282  1.0
  O  O9  1  0.500  0.500  0.004  1.0
[/CIF]
.
The material structure described by BaMgYCrCuO5 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(5) atoms. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cr(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cr(1) atoms to form OBa2Y2Cr2 octahedra that share corners with two equivalent O(2)Ba2Y2Cr2 octahedra, corners with four equivalent O(3)Y2MgCu2 trigonal bipyramids, and edges with two equivalent O(2)Ba2Y2Cr2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form OY2MgCu2 trigonal bipyramids that share corners with four equivalent O(2)Ba2Y2Cr2 octahedra and corners with four equivalent O(3)Y2MgCu2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 75°. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMgCrCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.738
_cell_length_b   4.348
_cell_length_c   9.284
_cell_angle_alpha   90.002
_cell_angle_beta   90.011
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   150.883
_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  0.000  0.000  0.831  1.0
  Y  Y1  1  1.000  1.000  0.421  1.0
  Mg  Mg2  1  1.000  0.500  0.109  1.0
  Cr  Cr3  1  0.500  0.500  0.620  1.0
  Cu  Cu4  1  0.500  0.500  0.334  1.0
  O  O5  1  1.000  0.500  0.673  1.0
  O  O6  1  0.500  0.000  0.612  1.0
  O  O7  1  0.000  0.500  0.326  1.0
  O  O8  1  0.500  1.000  0.282  1.0
  O  O9  1  0.500  0.500  0.004  1.0
[/CIF]
.