The compound described by Rb6Mg(FeO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(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(6) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the fourth Rb site, Rb(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the fifth Rb site, Rb(5) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the sixth Rb site, Rb(6) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form distorted edge-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form edge-sharing FeO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), one Rb(5), one Rb(6), one Mg(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), one Rb(5), one Rb(6), one Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(4), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted octahedral geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(4), one Rb(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), one Rb(5), one Mg(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(3), one Rb(4), one Rb(5), two equivalent Rb(1), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb6Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   9.789
_cell_length_c   6.250
_cell_angle_alpha   109.118
_cell_angle_beta   99.674
_cell_angle_gamma   117.345
_symmetry_Int_Tables_number   1
_cell_volume   351.615
_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
  Rb  Rb0  1  0.046  0.158  0.657  1.0
  Rb  Rb1  1  0.032  0.805  0.328  1.0
  Rb  Rb2  1  0.560  0.158  0.858  1.0
  Rb  Rb3  1  0.513  0.922  0.178  1.0
  Rb  Rb4  1  0.242  0.505  0.489  1.0
  Rb  Rb5  1  0.720  0.467  0.591  1.0
  Mg  Mg6  1  0.511  0.578  0.144  1.0
  Fe  Fe7  1  0.783  0.839  0.818  1.0
  Fe  Fe8  1  0.209  0.135  0.148  1.0
  O  O9  1  0.399  0.351  0.132  1.0
  O  O10  1  0.618  0.661  0.921  1.0
  O  O11  1  0.123  0.935  0.855  1.0
  O  O12  1  0.358  0.137  0.428  1.0
  O  O13  1  0.628  0.767  0.472  1.0
  O  O14  1  0.923  0.092  0.122  1.0
[/CIF]
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The compound described by Rb6Mg(FeO3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(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(6) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the third Rb site, Rb(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the fourth Rb site, Rb(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the fifth Rb site, Rb(5) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the sixth Rb site, Rb(6) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form distorted edge-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form edge-sharing FeO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), one Rb(5), one Rb(6), one Mg(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), one Rb(5), one Rb(6), one Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(4), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted octahedral geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(4), one Rb(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), one Rb(5), one Mg(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(3), one Rb(4), one Rb(5), two equivalent Rb(1), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb6Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   9.789
_cell_length_c   6.250
_cell_angle_alpha   109.118
_cell_angle_beta   99.674
_cell_angle_gamma   117.345
_symmetry_Int_Tables_number   1
_cell_volume   351.615
_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
  Rb  Rb0  1  0.046  0.158  0.657  1.0
  Rb  Rb1  1  0.032  0.805  0.328  1.0
  Rb  Rb2  1  0.560  0.158  0.858  1.0
  Rb  Rb3  1  0.513  0.922  0.178  1.0
  Rb  Rb4  1  0.242  0.505  0.489  1.0
  Rb  Rb5  1  0.720  0.467  0.591  1.0
  Mg  Mg6  1  0.511  0.578  0.144  1.0
  Fe  Fe7  1  0.783  0.839  0.818  1.0
  Fe  Fe8  1  0.209  0.135  0.148  1.0
  O  O9  1  0.399  0.351  0.132  1.0
  O  O10  1  0.618  0.661  0.921  1.0
  O  O11  1  0.123  0.935  0.855  1.0
  O  O12  1  0.358  0.137  0.428  1.0
  O  O13  1  0.628  0.767  0.472  1.0
  O  O14  1  0.923  0.092  0.122  1.0
[/CIF]
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