The structure described by KBaAsO4 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. As(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 As(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent K(1), two equivalent Ba(1), and one As(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), three equivalent Ba(1), and one As(1) atom. is represented by the CIF file [CIF]
data_KBaAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.924
_cell_length_c   10.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.978
_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  0.250  0.834  0.419  1.0
  K  K1  1  0.250  0.334  0.081  1.0
  K  K2  1  0.750  0.166  0.581  1.0
  K  K3  1  0.750  0.666  0.919  1.0
  Ba  Ba4  1  0.250  0.505  0.698  1.0
  Ba  Ba5  1  0.250  0.005  0.802  1.0
  Ba  Ba6  1  0.750  0.495  0.302  1.0
  Ba  Ba7  1  0.750  0.995  0.198  1.0
  As  As8  1  0.250  0.271  0.418  1.0
  As  As9  1  0.250  0.771  0.082  1.0
  As  As10  1  0.750  0.729  0.582  1.0
  As  As11  1  0.750  0.229  0.918  1.0
  O  O12  1  0.250  0.191  0.572  1.0
  O  O13  1  0.250  0.691  0.928  1.0
  O  O14  1  0.750  0.809  0.428  1.0
  O  O15  1  0.750  0.309  0.072  1.0
  O  O16  1  0.013  0.203  0.340  1.0
  O  O17  1  0.487  0.703  0.160  1.0
  O  O18  1  0.513  0.797  0.660  1.0
  O  O19  1  0.987  0.297  0.840  1.0
  O  O20  1  0.987  0.797  0.660  1.0
  O  O21  1  0.513  0.297  0.840  1.0
  O  O22  1  0.487  0.203  0.340  1.0
  O  O23  1  0.013  0.703  0.160  1.0
  O  O24  1  0.250  0.488  0.424  1.0
  O  O25  1  0.250  0.988  0.076  1.0
  O  O26  1  0.750  0.512  0.576  1.0
  O  O27  1  0.750  0.012  0.924  1.0
[/CIF]
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The structure described by KBaAsO4 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. As(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 As(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent K(1), two equivalent Ba(1), and one As(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), three equivalent Ba(1), and one As(1) atom. is represented by the CIF file [CIF]
data_KBaAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.924
_cell_length_c   10.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.978
_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  0.250  0.834  0.419  1.0
  K  K1  1  0.250  0.334  0.081  1.0
  K  K2  1  0.750  0.166  0.581  1.0
  K  K3  1  0.750  0.666  0.919  1.0
  Ba  Ba4  1  0.250  0.505  0.698  1.0
  Ba  Ba5  1  0.250  0.005  0.802  1.0
  Ba  Ba6  1  0.750  0.495  0.302  1.0
  Ba  Ba7  1  0.750  0.995  0.198  1.0
  As  As8  1  0.250  0.271  0.418  1.0
  As  As9  1  0.250  0.771  0.082  1.0
  As  As10  1  0.750  0.729  0.582  1.0
  As  As11  1  0.750  0.229  0.918  1.0
  O  O12  1  0.250  0.191  0.572  1.0
  O  O13  1  0.250  0.691  0.928  1.0
  O  O14  1  0.750  0.809  0.428  1.0
  O  O15  1  0.750  0.309  0.072  1.0
  O  O16  1  0.013  0.203  0.340  1.0
  O  O17  1  0.487  0.703  0.160  1.0
  O  O18  1  0.513  0.797  0.660  1.0
  O  O19  1  0.987  0.297  0.840  1.0
  O  O20  1  0.987  0.797  0.660  1.0
  O  O21  1  0.513  0.297  0.840  1.0
  O  O22  1  0.487  0.203  0.340  1.0
  O  O23  1  0.013  0.703  0.160  1.0
  O  O24  1  0.250  0.488  0.424  1.0
  O  O25  1  0.250  0.988  0.076  1.0
  O  O26  1  0.750  0.512  0.576  1.0
  O  O27  1  0.750  0.012  0.924  1.0
[/CIF]
.