The structure described by NaMgFe5O8 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to one Na(1), three equivalent Fe(1), one O(3), and three equivalent O(4) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Fe(3), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(3) and three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Mg(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.342
_cell_angle_alpha   60.059
_cell_angle_beta   90.000
_cell_angle_gamma   120.119
_symmetry_Int_Tables_number   1
_cell_volume   180.825
_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  0.604  0.791  0.604  1.0
  Mg  Mg1  1  0.739  0.522  0.739  1.0
  Fe  Fe2  1  0.610  0.208  0.182  1.0
  Fe  Fe3  1  0.002  0.996  0.002  1.0
  Fe  Fe4  1  0.610  0.208  0.610  1.0
  Fe  Fe5  1  0.245  0.509  0.245  1.0
  Fe  Fe6  1  0.182  0.781  0.610  1.0
  O  O7  1  0.874  0.277  0.361  1.0
  O  O8  1  0.377  0.246  0.377  1.0
  O  O9  1  0.867  0.266  0.867  1.0
  O  O10  1  0.880  0.744  0.376  1.0
  O  O11  1  0.880  0.744  0.880  1.0
  O  O12  1  0.376  0.240  0.880  1.0
  O  O13  1  0.361  0.764  0.361  1.0
  O  O14  1  0.361  0.764  0.874  1.0
[/CIF]
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The structure described by NaMgFe5O8 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to one Na(1), three equivalent Fe(1), one O(3), and three equivalent O(4) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Fe(3), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(3) and three equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Mg(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgFe5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.342
_cell_angle_alpha   60.059
_cell_angle_beta   90.000
_cell_angle_gamma   120.119
_symmetry_Int_Tables_number   1
_cell_volume   180.825
_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  0.604  0.791  0.604  1.0
  Mg  Mg1  1  0.739  0.522  0.739  1.0
  Fe  Fe2  1  0.610  0.208  0.182  1.0
  Fe  Fe3  1  0.002  0.996  0.002  1.0
  Fe  Fe4  1  0.610  0.208  0.610  1.0
  Fe  Fe5  1  0.245  0.509  0.245  1.0
  Fe  Fe6  1  0.182  0.781  0.610  1.0
  O  O7  1  0.874  0.277  0.361  1.0
  O  O8  1  0.377  0.246  0.377  1.0
  O  O9  1  0.867  0.266  0.867  1.0
  O  O10  1  0.880  0.744  0.376  1.0
  O  O11  1  0.880  0.744  0.880  1.0
  O  O12  1  0.376  0.240  0.880  1.0
  O  O13  1  0.361  0.764  0.361  1.0
  O  O14  1  0.361  0.764  0.874  1.0
[/CIF]
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