The material described by NaCr2FeO10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(4) and four equivalent O(2) atoms. Cr(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_NaCr2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   7.602
_cell_angle_alpha   68.886
_cell_angle_beta   68.886
_cell_angle_gamma   54.995
_symmetry_Int_Tables_number   1
_cell_volume   203.548
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.393  0.393  0.289  1.0
  Cr  Cr2  1  0.607  0.607  0.711  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.812  0.812  0.077  1.0
  O  O5  1  0.188  0.188  0.923  1.0
  O  O6  1  0.745  0.231  0.196  1.0
  O  O7  1  0.255  0.769  0.804  1.0
  O  O8  1  0.769  0.255  0.804  1.0
  O  O9  1  0.231  0.745  0.196  1.0
  O  O10  1  0.644  0.644  0.481  1.0
  O  O11  1  0.356  0.356  0.519  1.0
  O  O12  1  0.251  0.251  0.255  1.0
  O  O13  1  0.749  0.749  0.745  1.0
[/CIF]
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The material described by NaCr2FeO10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(4) and four equivalent O(2) atoms. Cr(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_NaCr2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   7.602
_cell_angle_alpha   68.886
_cell_angle_beta   68.886
_cell_angle_gamma   54.995
_symmetry_Int_Tables_number   1
_cell_volume   203.548
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.393  0.393  0.289  1.0
  Cr  Cr2  1  0.607  0.607  0.711  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.812  0.812  0.077  1.0
  O  O5  1  0.188  0.188  0.923  1.0
  O  O6  1  0.745  0.231  0.196  1.0
  O  O7  1  0.255  0.769  0.804  1.0
  O  O8  1  0.769  0.255  0.804  1.0
  O  O9  1  0.231  0.745  0.196  1.0
  O  O10  1  0.644  0.644  0.481  1.0
  O  O11  1  0.356  0.356  0.519  1.0
  O  O12  1  0.251  0.251  0.255  1.0
  O  O13  1  0.749  0.749  0.745  1.0
[/CIF]
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