The material described by BaMgLaRuNiO6 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. La(1) is bonded in a 7-coordinate geometry to one Ni(1), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ru(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), 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 two equivalent Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one La(1), one Ru(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_BaLaMgNiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   5.837
_cell_length_c   5.908
_cell_angle_alpha   60.550
_cell_angle_beta   59.017
_cell_angle_gamma   58.464
_symmetry_Int_Tables_number   1
_cell_volume   152.397
_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  0.653  0.776  0.773  1.0
  La  La1  1  0.322  0.234  0.223  1.0
  Mg  Mg2  1  0.299  0.572  0.550  1.0
  Ni  Ni3  1  0.780  0.393  0.414  1.0
  Ru  Ru4  1  0.951  0.020  0.017  1.0
  O  O5  1  0.173  0.268  0.690  1.0
  O  O6  1  0.168  0.896  0.257  1.0
  O  O7  1  0.213  0.689  0.860  1.0
  O  O8  1  0.660  0.325  0.216  1.0
  O  O9  1  0.716  0.192  0.797  1.0
  O  O10  1  0.709  0.793  0.286  1.0
[/CIF]
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The material described by BaMgLaRuNiO6 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. La(1) is bonded in a 7-coordinate geometry to one Ni(1), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ru(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), 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 two equivalent Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one La(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one La(1), one Ru(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_BaLaMgNiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   5.837
_cell_length_c   5.908
_cell_angle_alpha   60.550
_cell_angle_beta   59.017
_cell_angle_gamma   58.464
_symmetry_Int_Tables_number   1
_cell_volume   152.397
_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  0.653  0.776  0.773  1.0
  La  La1  1  0.322  0.234  0.223  1.0
  Mg  Mg2  1  0.299  0.572  0.550  1.0
  Ni  Ni3  1  0.780  0.393  0.414  1.0
  Ru  Ru4  1  0.951  0.020  0.017  1.0
  O  O5  1  0.173  0.268  0.690  1.0
  O  O6  1  0.168  0.896  0.257  1.0
  O  O7  1  0.213  0.689  0.860  1.0
  O  O8  1  0.660  0.325  0.216  1.0
  O  O9  1  0.716  0.192  0.797  1.0
  O  O10  1  0.709  0.793  0.286  1.0
[/CIF]
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