The structure described by Ba2MgCuTeO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Cu(1), and one Te(1) atom to form distorted OBa2MgCuTe trigonal bipyramids that share corners with three equivalent O(1)Ba2MgCuTe trigonal bipyramids, corners with six equivalent O(2)Ba4Te trigonal bipyramids, edges with two equivalent O(2)Ba4Te trigonal bipyramids, edges with three equivalent O(1)Ba2MgCuTe trigonal bipyramids, and faces with two equivalent O(1)Ba2MgCuTe trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Te(1) atom to form distorted OBa4Te trigonal bipyramids that share corners with five equivalent O(2)Ba4Te trigonal bipyramids, corners with twelve equivalent O(1)Ba2MgCuTe trigonal bipyramids, edges with four equivalent O(1)Ba2MgCuTe trigonal bipyramids, and edges with four equivalent O(2)Ba4Te trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2MgCuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.841
_cell_length_c   6.882
_cell_angle_alpha   115.033
_cell_angle_beta   114.807
_cell_angle_gamma   90.104
_symmetry_Int_Tables_number   1
_cell_volume   186.687
_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  0.818  0.318  0.636  1.0
  Ba  Ba1  1  0.182  0.682  0.364  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.751  0.763  1.000  1.0
  O  O6  1  0.249  0.762  1.000  1.0
  O  O7  1  0.751  0.238  0.000  1.0
  O  O8  1  0.249  0.237  0.000  1.0
  O  O9  1  0.308  0.308  0.615  1.0
  O  O10  1  0.692  0.692  0.385  1.0
[/CIF]
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The structure described by Ba2MgCuTeO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Cu(1), and one Te(1) atom to form distorted OBa2MgCuTe trigonal bipyramids that share corners with three equivalent O(1)Ba2MgCuTe trigonal bipyramids, corners with six equivalent O(2)Ba4Te trigonal bipyramids, edges with two equivalent O(2)Ba4Te trigonal bipyramids, edges with three equivalent O(1)Ba2MgCuTe trigonal bipyramids, and faces with two equivalent O(1)Ba2MgCuTe trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Ba(1) and one Te(1) atom to form distorted OBa4Te trigonal bipyramids that share corners with five equivalent O(2)Ba4Te trigonal bipyramids, corners with twelve equivalent O(1)Ba2MgCuTe trigonal bipyramids, edges with four equivalent O(1)Ba2MgCuTe trigonal bipyramids, and edges with four equivalent O(2)Ba4Te trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2MgCuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.841
_cell_length_c   6.882
_cell_angle_alpha   115.033
_cell_angle_beta   114.807
_cell_angle_gamma   90.104
_symmetry_Int_Tables_number   1
_cell_volume   186.687
_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  0.818  0.318  0.636  1.0
  Ba  Ba1  1  0.182  0.682  0.364  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.751  0.763  1.000  1.0
  O  O6  1  0.249  0.762  1.000  1.0
  O  O7  1  0.751  0.238  0.000  1.0
  O  O8  1  0.249  0.237  0.000  1.0
  O  O9  1  0.308  0.308  0.615  1.0
  O  O10  1  0.692  0.692  0.385  1.0
[/CIF]
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