The structure described by Ba2MgTmNbO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to one O(3), two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(2), one O(4), and two equivalent O(2) atoms. Tm(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TmO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Tm(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Tm(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Tm(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Tm(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TmMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   5.975
_cell_length_c   5.977
_cell_angle_alpha   59.993
_cell_angle_beta   63.397
_cell_angle_gamma   63.357
_symmetry_Int_Tables_number   1
_cell_volume   176.606
_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  0.800  0.734  0.733  1.0
  Ba  Ba1  1  0.411  0.198  0.196  1.0
  Tm  Tm2  1  0.421  0.528  0.526  1.0
  Mg  Mg3  1  0.900  0.367  0.366  1.0
  Nb  Nb4  1  0.005  0.999  0.998  1.0
  O  O5  1  0.203  0.769  0.768  1.0
  O  O6  1  0.203  0.769  0.259  1.0
  O  O7  1  0.739  0.256  0.750  1.0
  O  O8  1  0.205  0.259  0.768  1.0
  O  O9  1  0.739  0.256  0.255  1.0
  O  O10  1  0.738  0.750  0.256  1.0
[/CIF]
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The structure described by Ba2MgTmNbO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to one O(3), two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Ba(2), one O(4), and two equivalent O(2) atoms. Tm(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TmO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Tm(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Tm(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ba(2), one Tm(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one Tm(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2TmMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.673
_cell_length_b   5.975
_cell_length_c   5.977
_cell_angle_alpha   59.993
_cell_angle_beta   63.397
_cell_angle_gamma   63.357
_symmetry_Int_Tables_number   1
_cell_volume   176.606
_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  0.800  0.734  0.733  1.0
  Ba  Ba1  1  0.411  0.198  0.196  1.0
  Tm  Tm2  1  0.421  0.528  0.526  1.0
  Mg  Mg3  1  0.900  0.367  0.366  1.0
  Nb  Nb4  1  0.005  0.999  0.998  1.0
  O  O5  1  0.203  0.769  0.768  1.0
  O  O6  1  0.203  0.769  0.259  1.0
  O  O7  1  0.739  0.256  0.750  1.0
  O  O8  1  0.205  0.259  0.768  1.0
  O  O9  1  0.739  0.256  0.255  1.0
  O  O10  1  0.738  0.750  0.256  1.0
[/CIF]
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