The material structure described by LaFeAsO is Parent of FeAs superconductors structured and crystallizes in the orthorhombic Ibca space group. La(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Fe(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms. O(1) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_LaFeAsO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.880
_cell_length_c   10.069
_cell_angle_alpha   73.024
_cell_angle_beta   73.226
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   313.788
_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
  La  La0  1  0.065  0.315  0.869  1.0
  La  La1  1  0.565  0.815  0.869  1.0
  La  La2  1  0.434  0.185  0.131  1.0
  La  La3  1  0.934  0.685  0.131  1.0
  Fe  Fe4  1  0.985  0.750  0.500  1.0
  Fe  Fe5  1  0.485  0.750  0.500  1.0
  Fe  Fe6  1  0.516  0.250  0.500  1.0
  Fe  Fe7  1  0.016  0.250  0.500  1.0
  As  As8  1  0.335  0.585  0.329  1.0
  As  As9  1  0.835  0.085  0.329  1.0
  As  As10  1  0.165  0.915  0.671  1.0
  As  As11  1  0.665  0.415  0.671  1.0
  O  O12  1  0.250  0.999  1.000  1.0
  O  O13  1  0.750  0.501  0.000  1.0
  O  O14  1  0.750  0.001  1.000  1.0
  O  O15  1  0.250  0.499  0.000  1.0
[/CIF]
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The material structure described by LaFeAsO is Parent of FeAs superconductors structured and crystallizes in the orthorhombic Ibca space group. La(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Fe(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms. O(1) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_LaFeAsO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.880
_cell_length_c   10.069
_cell_angle_alpha   73.024
_cell_angle_beta   73.226
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   313.788
_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
  La  La0  1  0.065  0.315  0.869  1.0
  La  La1  1  0.565  0.815  0.869  1.0
  La  La2  1  0.434  0.185  0.131  1.0
  La  La3  1  0.934  0.685  0.131  1.0
  Fe  Fe4  1  0.985  0.750  0.500  1.0
  Fe  Fe5  1  0.485  0.750  0.500  1.0
  Fe  Fe6  1  0.516  0.250  0.500  1.0
  Fe  Fe7  1  0.016  0.250  0.500  1.0
  As  As8  1  0.335  0.585  0.329  1.0
  As  As9  1  0.835  0.085  0.329  1.0
  As  As10  1  0.165  0.915  0.671  1.0
  As  As11  1  0.665  0.415  0.671  1.0
  O  O12  1  0.250  0.999  1.000  1.0
  O  O13  1  0.750  0.501  0.000  1.0
  O  O14  1  0.750  0.001  1.000  1.0
  O  O15  1  0.250  0.499  0.000  1.0
[/CIF]
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