The structure described by KBa(FeAs)4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Fe(1) is bonded to four equivalent As(1,2) atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. As(1,2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBa(FeAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.132
_cell_length_b   7.132
_cell_length_c   5.479
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.812
_symmetry_Int_Tables_number   1
_cell_volume   197.696
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.750  1.0
  Fe  Fe3  1  0.000  0.500  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.750  1.0
  Fe  Fe5  1  0.500  0.000  0.250  1.0
  As  As6  1  0.654  0.346  0.000  1.0
  As  As7  1  0.154  0.846  0.500  1.0
  As  As8  1  0.846  0.154  0.500  1.0
  As  As9  1  0.346  0.654  0.000  1.0
[/CIF]
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The structure described by KBa(FeAs)4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1,2) atoms. Fe(1) is bonded to four equivalent As(1,2) atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. As(1,2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBa(FeAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.132
_cell_length_b   7.132
_cell_length_c   5.479
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.812
_symmetry_Int_Tables_number   1
_cell_volume   197.696
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.750  1.0
  Fe  Fe3  1  0.000  0.500  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.750  1.0
  Fe  Fe5  1  0.500  0.000  0.250  1.0
  As  As6  1  0.654  0.346  0.000  1.0
  As  As7  1  0.154  0.846  0.500  1.0
  As  As8  1  0.846  0.154  0.500  1.0
  As  As9  1  0.346  0.654  0.000  1.0
[/CIF]
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