The material structure described by Sr2MgZrMnO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Zr(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), one Zr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Zr(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   6.550
_cell_angle_alpha   53.880
_cell_angle_beta   53.880
_cell_angle_gamma   53.880
_symmetry_Int_Tables_number   1
_cell_volume   170.328
_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
  Sr  Sr0  1  0.316  0.316  0.316  1.0
  Sr  Sr1  1  0.712  0.712  0.712  1.0
  Mg  Mg2  1  0.133  0.133  0.133  1.0
  Zr  Zr3  1  0.972  0.972  0.972  1.0
  Mn  Mn4  1  0.504  0.504  0.504  1.0
  O  O5  1  0.752  0.238  0.238  1.0
  O  O6  1  0.747  0.271  0.747  1.0
  O  O7  1  0.747  0.747  0.271  1.0
  O  O8  1  0.271  0.747  0.747  1.0
  O  O9  1  0.238  0.752  0.238  1.0
  O  O10  1  0.238  0.238  0.752  1.0
[/CIF]
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The material structure described by Sr2MgZrMnO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Zr(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), one Zr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Zr(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.550
_cell_length_b   6.550
_cell_length_c   6.550
_cell_angle_alpha   53.880
_cell_angle_beta   53.880
_cell_angle_gamma   53.880
_symmetry_Int_Tables_number   1
_cell_volume   170.328
_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
  Sr  Sr0  1  0.316  0.316  0.316  1.0
  Sr  Sr1  1  0.712  0.712  0.712  1.0
  Mg  Mg2  1  0.133  0.133  0.133  1.0
  Zr  Zr3  1  0.972  0.972  0.972  1.0
  Mn  Mn4  1  0.504  0.504  0.504  1.0
  O  O5  1  0.752  0.238  0.238  1.0
  O  O6  1  0.747  0.271  0.747  1.0
  O  O7  1  0.747  0.747  0.271  1.0
  O  O8  1  0.271  0.747  0.747  1.0
  O  O9  1  0.238  0.752  0.238  1.0
  O  O10  1  0.238  0.238  0.752  1.0
[/CIF]
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