The material described by La4Ru3FeAs4O4 crystallizes in the tetragonal P-42m space group. La(1) is bonded in a 4-coordinate geometry to four equivalent As(1), one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent As(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent La(1), one Ru(1), two equivalent Ru(2), and one Fe(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4FeAs4Ru3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   5.825
_cell_length_c   8.785
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   297.668
_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
  As  As0  1  0.761  0.989  0.658  1.0
  As  As1  1  0.239  0.511  0.658  1.0
  As  As2  1  0.239  0.989  0.342  1.0
  As  As3  1  0.761  0.511  0.342  1.0
  Fe  Fe4  1  0.500  0.250  0.500  1.0
  La  La5  1  0.751  0.999  0.137  1.0
  La  La6  1  0.249  0.501  0.137  1.0
  La  La7  1  0.249  0.999  0.863  1.0
  La  La8  1  0.751  0.501  0.863  1.0
  O  O9  1  0.500  0.250  0.000  1.0
  O  O10  1  0.000  0.750  0.000  1.0
  O  O11  1  0.500  0.750  0.000  1.0
  O  O12  1  0.000  0.250  0.000  1.0
  Ru  Ru13  1  1.000  0.750  0.500  1.0
  Ru  Ru14  1  0.000  0.250  0.500  1.0
  Ru  Ru15  1  0.500  0.750  0.500  1.0
[/CIF]
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The material described by La4Ru3FeAs4O4 crystallizes in the tetragonal P-42m space group. La(1) is bonded in a 4-coordinate geometry to four equivalent As(1), one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a tetrahedral geometry to four equivalent As(1) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent As(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ru(2) and four equivalent As(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent La(1), one Ru(1), two equivalent Ru(2), and one Fe(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4FeAs4Ru3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   5.825
_cell_length_c   8.785
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   297.668
_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
  As  As0  1  0.761  0.989  0.658  1.0
  As  As1  1  0.239  0.511  0.658  1.0
  As  As2  1  0.239  0.989  0.342  1.0
  As  As3  1  0.761  0.511  0.342  1.0
  Fe  Fe4  1  0.500  0.250  0.500  1.0
  La  La5  1  0.751  0.999  0.137  1.0
  La  La6  1  0.249  0.501  0.137  1.0
  La  La7  1  0.249  0.999  0.863  1.0
  La  La8  1  0.751  0.501  0.863  1.0
  O  O9  1  0.500  0.250  0.000  1.0
  O  O10  1  0.000  0.750  0.000  1.0
  O  O11  1  0.500  0.750  0.000  1.0
  O  O12  1  0.000  0.250  0.000  1.0
  Ru  Ru13  1  1.000  0.750  0.500  1.0
  Ru  Ru14  1  0.000  0.250  0.500  1.0
  Ru  Ru15  1  0.500  0.750  0.500  1.0
[/CIF]
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