The material described by KBaMnO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(1), and six equivalent O(2) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1), two equivalent Ba(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1), two equivalent Ba(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), three equivalent Ba(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_KBaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   7.912
_cell_length_c   10.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.690
_cell_formula_units_Z   4
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
  K  K0  1  0.750  0.660  0.081  1.0
  K  K1  1  0.750  0.160  0.419  1.0
  K  K2  1  0.250  0.340  0.919  1.0
  K  K3  1  0.250  0.840  0.581  1.0
  Ba  Ba4  1  0.750  0.992  0.808  1.0
  Ba  Ba5  1  0.750  0.492  0.692  1.0
  Ba  Ba6  1  0.250  0.008  0.192  1.0
  Ba  Ba7  1  0.250  0.508  0.308  1.0
  Mn  Mn8  1  0.750  0.232  0.082  1.0
  Mn  Mn9  1  0.750  0.732  0.418  1.0
  Mn  Mn10  1  0.250  0.768  0.918  1.0
  Mn  Mn11  1  0.250  0.268  0.582  1.0
  O  O12  1  0.750  0.304  0.926  1.0
  O  O13  1  0.750  0.804  0.574  1.0
  O  O14  1  0.250  0.696  0.074  1.0
  O  O15  1  0.250  0.196  0.426  1.0
  O  O16  1  0.990  0.301  0.158  1.0
  O  O17  1  0.510  0.801  0.342  1.0
  O  O18  1  0.490  0.699  0.842  1.0
  O  O19  1  0.010  0.199  0.658  1.0
  O  O20  1  0.010  0.699  0.842  1.0
  O  O21  1  0.490  0.199  0.658  1.0
  O  O22  1  0.510  0.301  0.158  1.0
  O  O23  1  0.990  0.801  0.342  1.0
  O  O24  1  0.750  0.015  0.079  1.0
  O  O25  1  0.750  0.515  0.421  1.0
  O  O26  1  0.250  0.985  0.921  1.0
  O  O27  1  0.250  0.485  0.579  1.0
[/CIF]
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The material described by KBaMnO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(1), and six equivalent O(2) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1), two equivalent Ba(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1), two equivalent Ba(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), three equivalent Ba(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_KBaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   7.912
_cell_length_c   10.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.690
_cell_formula_units_Z   4
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
  K  K0  1  0.750  0.660  0.081  1.0
  K  K1  1  0.750  0.160  0.419  1.0
  K  K2  1  0.250  0.340  0.919  1.0
  K  K3  1  0.250  0.840  0.581  1.0
  Ba  Ba4  1  0.750  0.992  0.808  1.0
  Ba  Ba5  1  0.750  0.492  0.692  1.0
  Ba  Ba6  1  0.250  0.008  0.192  1.0
  Ba  Ba7  1  0.250  0.508  0.308  1.0
  Mn  Mn8  1  0.750  0.232  0.082  1.0
  Mn  Mn9  1  0.750  0.732  0.418  1.0
  Mn  Mn10  1  0.250  0.768  0.918  1.0
  Mn  Mn11  1  0.250  0.268  0.582  1.0
  O  O12  1  0.750  0.304  0.926  1.0
  O  O13  1  0.750  0.804  0.574  1.0
  O  O14  1  0.250  0.696  0.074  1.0
  O  O15  1  0.250  0.196  0.426  1.0
  O  O16  1  0.990  0.301  0.158  1.0
  O  O17  1  0.510  0.801  0.342  1.0
  O  O18  1  0.490  0.699  0.842  1.0
  O  O19  1  0.010  0.199  0.658  1.0
  O  O20  1  0.010  0.699  0.842  1.0
  O  O21  1  0.490  0.199  0.658  1.0
  O  O22  1  0.510  0.301  0.158  1.0
  O  O23  1  0.990  0.801  0.342  1.0
  O  O24  1  0.750  0.015  0.079  1.0
  O  O25  1  0.750  0.515  0.421  1.0
  O  O26  1  0.250  0.985  0.921  1.0
  O  O27  1  0.250  0.485  0.579  1.0
[/CIF]
.