The crystal structure described by SrMoFeO5 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MoO5 trigonal bipyramids that share corners with five equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form FeO5 trigonal bipyramids that share corners with five equivalent Mo(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_SrFeMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   4.986
_cell_length_c   6.080
_cell_angle_alpha   111.486
_cell_angle_beta   109.569
_cell_angle_gamma   93.429
_symmetry_Int_Tables_number   1
_cell_volume   126.284
_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
  Sr  Sr0  1  0.282  0.272  0.489  1.0
  Fe  Fe1  1  0.923  0.925  0.862  1.0
  Mo  Mo2  1  0.556  0.557  0.112  1.0
  O  O3  1  0.854  0.874  0.176  1.0
  O  O4  1  0.670  0.277  0.885  1.0
  O  O5  1  0.684  0.687  0.483  1.0
  O  O6  1  0.256  0.647  0.889  1.0
  O  O7  1  0.272  0.258  0.099  1.0
[/CIF]
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The crystal structure described by SrMoFeO5 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MoO5 trigonal bipyramids that share corners with five equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form FeO5 trigonal bipyramids that share corners with five equivalent Mo(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(1), one Mo(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_SrFeMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   4.986
_cell_length_c   6.080
_cell_angle_alpha   111.486
_cell_angle_beta   109.569
_cell_angle_gamma   93.429
_symmetry_Int_Tables_number   1
_cell_volume   126.284
_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
  Sr  Sr0  1  0.282  0.272  0.489  1.0
  Fe  Fe1  1  0.923  0.925  0.862  1.0
  Mo  Mo2  1  0.556  0.557  0.112  1.0
  O  O3  1  0.854  0.874  0.176  1.0
  O  O4  1  0.670  0.277  0.885  1.0
  O  O5  1  0.684  0.687  0.483  1.0
  O  O6  1  0.256  0.647  0.889  1.0
  O  O7  1  0.272  0.258  0.099  1.0
[/CIF]
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