The compound described by Mg10FeO11 crystallizes in the triclinic P-1 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one O(2), one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(5), and two equivalent Mg(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), two equivalent Mg(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Mg(2), one Mg(4), two equivalent Mg(3), and two equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_Mg10FeO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.766
_cell_length_c   5.222
_cell_angle_alpha   104.982
_cell_angle_beta   97.689
_cell_angle_gamma   107.460
_symmetry_Int_Tables_number   1
_cell_volume   214.309
_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
  Mg  Mg0  1  0.816  0.953  0.091  1.0
  Mg  Mg1  1  0.184  0.047  0.909  1.0
  Mg  Mg2  1  0.639  0.409  0.182  1.0
  Mg  Mg3  1  0.457  0.864  0.274  1.0
  Mg  Mg4  1  0.091  0.773  0.454  1.0
  Mg  Mg5  1  0.273  0.321  0.364  1.0
  Mg  Mg6  1  0.727  0.679  0.636  1.0
  Mg  Mg7  1  0.909  0.227  0.546  1.0
  Mg  Mg8  1  0.361  0.591  0.818  1.0
  Mg  Mg9  1  0.543  0.136  0.726  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.674  0.546  0.906  1.0
  O  O12  1  0.137  0.911  0.182  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.773  0.818  0.364  1.0
  O  O15  1  0.326  0.454  0.094  1.0
  O  O16  1  0.953  0.359  0.278  1.0
  O  O17  1  0.409  0.728  0.544  1.0
  O  O18  1  0.047  0.641  0.722  1.0
  O  O19  1  0.591  0.272  0.456  1.0
  O  O20  1  0.863  0.089  0.818  1.0
  O  O21  1  0.227  0.182  0.636  1.0
[/CIF]
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The compound described by Mg10FeO11 crystallizes in the triclinic P-1 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one O(2), one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the fifth Mg site, Mg(5) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(3), one Mg(5), two equivalent Mg(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(5), and two equivalent Mg(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(5), two equivalent Mg(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Mg(2), one Mg(4), two equivalent Mg(3), and two equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_Mg10FeO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.766
_cell_length_c   5.222
_cell_angle_alpha   104.982
_cell_angle_beta   97.689
_cell_angle_gamma   107.460
_symmetry_Int_Tables_number   1
_cell_volume   214.309
_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
  Mg  Mg0  1  0.816  0.953  0.091  1.0
  Mg  Mg1  1  0.184  0.047  0.909  1.0
  Mg  Mg2  1  0.639  0.409  0.182  1.0
  Mg  Mg3  1  0.457  0.864  0.274  1.0
  Mg  Mg4  1  0.091  0.773  0.454  1.0
  Mg  Mg5  1  0.273  0.321  0.364  1.0
  Mg  Mg6  1  0.727  0.679  0.636  1.0
  Mg  Mg7  1  0.909  0.227  0.546  1.0
  Mg  Mg8  1  0.361  0.591  0.818  1.0
  Mg  Mg9  1  0.543  0.136  0.726  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.674  0.546  0.906  1.0
  O  O12  1  0.137  0.911  0.182  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.773  0.818  0.364  1.0
  O  O15  1  0.326  0.454  0.094  1.0
  O  O16  1  0.953  0.359  0.278  1.0
  O  O17  1  0.409  0.728  0.544  1.0
  O  O18  1  0.047  0.641  0.722  1.0
  O  O19  1  0.591  0.272  0.456  1.0
  O  O20  1  0.863  0.089  0.818  1.0
  O  O21  1  0.227  0.182  0.636  1.0
[/CIF]
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