The material described by BaAgO2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles range from 18-46°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and one Ag(2) atom to form a mixture of distorted corner and edge-sharing OBa4Ag square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ag(1), and one Ag(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.300
_cell_length_c   3.917
_cell_angle_alpha   89.496
_cell_angle_beta   89.496
_cell_angle_gamma   105.292
_symmetry_Int_Tables_number   1
_cell_volume   149.969
_cell_formula_units_Z   2
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  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.294  0.706  0.500  1.0
  O  O5  1  0.706  0.294  0.500  1.0
  O  O6  1  0.752  0.752  0.273  1.0
  O  O7  1  0.248  0.248  0.727  1.0
[/CIF]
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The material described by BaAgO2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles range from 18-46°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and one Ag(2) atom to form a mixture of distorted corner and edge-sharing OBa4Ag square pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ag(1), and one Ag(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaAgO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.300
_cell_length_c   3.917
_cell_angle_alpha   89.496
_cell_angle_beta   89.496
_cell_angle_gamma   105.292
_symmetry_Int_Tables_number   1
_cell_volume   149.969
_cell_formula_units_Z   2
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  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.294  0.706  0.500  1.0
  O  O5  1  0.706  0.294  0.500  1.0
  O  O6  1  0.752  0.752  0.273  1.0
  O  O7  1  0.248  0.248  0.727  1.0
[/CIF]
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