The crystal structure described by Ba2MgWFeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one W(1), one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. W(1) is bonded in a trigonal planar geometry to one Ba(2), one O(3), one O(4), and one O(6) atom. Fe(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Ba2MgFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.219
_cell_length_c   6.870
_cell_angle_alpha   89.194
_cell_angle_beta   126.306
_cell_angle_gamma   117.620
_symmetry_Int_Tables_number   1
_cell_volume   195.795
_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
  Ba  Ba0  1  0.366  0.684  0.317  1.0
  Ba  Ba1  1  0.543  0.267  0.725  1.0
  Mg  Mg2  1  0.807  0.901  0.096  1.0
  Fe  Fe3  1  0.015  0.505  0.491  1.0
  W  W4  1  0.147  0.076  0.926  1.0
  O  O5  1  0.459  0.730  0.743  1.0
  O  O6  1  0.986  0.729  0.272  1.0
  O  O7  1  0.974  0.244  0.756  1.0
  O  O8  1  0.483  0.241  0.268  1.0
  O  O9  1  0.986  0.254  0.269  1.0
  O  O10  1  0.973  0.734  0.761  1.0
[/CIF]
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The crystal structure described by Ba2MgWFeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one W(1), one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. W(1) is bonded in a trigonal planar geometry to one Ba(2), one O(3), one O(4), and one O(6) atom. Fe(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one W(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Ba2MgFeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.219
_cell_length_c   6.870
_cell_angle_alpha   89.194
_cell_angle_beta   126.306
_cell_angle_gamma   117.620
_symmetry_Int_Tables_number   1
_cell_volume   195.795
_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
  Ba  Ba0  1  0.366  0.684  0.317  1.0
  Ba  Ba1  1  0.543  0.267  0.725  1.0
  Mg  Mg2  1  0.807  0.901  0.096  1.0
  Fe  Fe3  1  0.015  0.505  0.491  1.0
  W  W4  1  0.147  0.076  0.926  1.0
  O  O5  1  0.459  0.730  0.743  1.0
  O  O6  1  0.986  0.729  0.272  1.0
  O  O7  1  0.974  0.244  0.756  1.0
  O  O8  1  0.483  0.241  0.268  1.0
  O  O9  1  0.986  0.254  0.269  1.0
  O  O10  1  0.973  0.734  0.761  1.0
[/CIF]
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