The compound described by K6Mg(FeO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the sixth K site, K(6) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Fe site, Fe(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), one K(5), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(3), one K(6), one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(4), one K(5), one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(5), one K(6), one Mg(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K6Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   7.028
_cell_length_c   7.130
_cell_angle_alpha   115.956
_cell_angle_beta   91.649
_cell_angle_gamma   93.405
_symmetry_Int_Tables_number   1
_cell_volume   281.605
_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
  K  K0  1  0.315  0.561  0.538  1.0
  K  K1  1  0.955  0.792  0.280  1.0
  K  K2  1  0.457  0.833  0.267  1.0
  K  K3  1  0.944  0.245  0.785  1.0
  K  K4  1  0.747  0.389  0.388  1.0
  K  K5  1  0.441  0.283  0.818  1.0
  Mg  Mg6  1  0.583  0.874  0.864  1.0
  Fe  Fe7  1  0.960  0.794  0.835  1.0
  Fe  Fe8  1  0.153  0.174  0.172  1.0
  O  O9  1  0.711  0.845  0.600  1.0
  O  O10  1  0.267  0.893  0.899  1.0
  O  O11  1  0.820  0.057  0.065  1.0
  O  O12  1  0.214  0.163  0.438  1.0
  O  O13  1  0.208  0.442  0.152  1.0
  O  O14  1  0.724  0.597  0.838  1.0
[/CIF]
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The compound described by K6Mg(FeO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the third K site, K(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the sixth K site, K(6) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Fe site, Fe(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), one K(5), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(3), one K(6), one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(4), one K(5), one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(6), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 8-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one K(5), one K(6), one Mg(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K6Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   7.028
_cell_length_c   7.130
_cell_angle_alpha   115.956
_cell_angle_beta   91.649
_cell_angle_gamma   93.405
_symmetry_Int_Tables_number   1
_cell_volume   281.605
_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
  K  K0  1  0.315  0.561  0.538  1.0
  K  K1  1  0.955  0.792  0.280  1.0
  K  K2  1  0.457  0.833  0.267  1.0
  K  K3  1  0.944  0.245  0.785  1.0
  K  K4  1  0.747  0.389  0.388  1.0
  K  K5  1  0.441  0.283  0.818  1.0
  Mg  Mg6  1  0.583  0.874  0.864  1.0
  Fe  Fe7  1  0.960  0.794  0.835  1.0
  Fe  Fe8  1  0.153  0.174  0.172  1.0
  O  O9  1  0.711  0.845  0.600  1.0
  O  O10  1  0.267  0.893  0.899  1.0
  O  O11  1  0.820  0.057  0.065  1.0
  O  O12  1  0.214  0.163  0.438  1.0
  O  O13  1  0.208  0.442  0.152  1.0
  O  O14  1  0.724  0.597  0.838  1.0
[/CIF]
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