The material structure described by LaSrMnO4F crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form LaO8F4 cuboctahedra that share corners with four equivalent La(1)O8F4 cuboctahedra, edges with four equivalent La(1)O8F4 cuboctahedra, faces with four equivalent La(1)O8F4 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O8F4 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. F(1) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing FLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMnO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.810
_cell_length_b   3.810
_cell_length_c   14.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.259
_cell_formula_units_Z   2
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
  F  F0  1  0.750  0.250  0.500  1.0
  F  F1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.250  0.250  0.377  1.0
  La  La3  1  0.750  0.750  0.623  1.0
  Mn  Mn4  1  0.750  0.750  0.224  1.0
  Mn  Mn5  1  0.250  0.250  0.776  1.0
  O  O6  1  0.750  0.750  0.083  1.0
  O  O7  1  0.250  0.250  0.917  1.0
  O  O8  1  0.750  0.750  0.358  1.0
  O  O9  1  0.250  0.250  0.642  1.0
  O  O10  1  0.750  0.250  0.230  1.0
  O  O11  1  0.250  0.750  0.230  1.0
  O  O12  1  0.250  0.750  0.770  1.0
  O  O13  1  0.750  0.250  0.770  1.0
  Sr  Sr14  1  0.250  0.250  0.096  1.0
  Sr  Sr15  1  0.750  0.750  0.904  1.0
[/CIF]
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The material structure described by LaSrMnO4F crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form LaO8F4 cuboctahedra that share corners with four equivalent La(1)O8F4 cuboctahedra, edges with four equivalent La(1)O8F4 cuboctahedra, faces with four equivalent La(1)O8F4 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O8F4 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. F(1) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing FLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMnO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.810
_cell_length_b   3.810
_cell_length_c   14.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.259
_cell_formula_units_Z   2
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
  F  F0  1  0.750  0.250  0.500  1.0
  F  F1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.250  0.250  0.377  1.0
  La  La3  1  0.750  0.750  0.623  1.0
  Mn  Mn4  1  0.750  0.750  0.224  1.0
  Mn  Mn5  1  0.250  0.250  0.776  1.0
  O  O6  1  0.750  0.750  0.083  1.0
  O  O7  1  0.250  0.250  0.917  1.0
  O  O8  1  0.750  0.750  0.358  1.0
  O  O9  1  0.250  0.250  0.642  1.0
  O  O10  1  0.750  0.250  0.230  1.0
  O  O11  1  0.250  0.750  0.230  1.0
  O  O12  1  0.250  0.750  0.770  1.0
  O  O13  1  0.750  0.250  0.770  1.0
  Sr  Sr14  1  0.250  0.250  0.096  1.0
  Sr  Sr15  1  0.750  0.750  0.904  1.0
[/CIF]
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