The material described by Ba2MgLaTa(CuO4)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. La(1) is bonded in a 4-coordinate geometry to eight equivalent O(2) atoms. Ta(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Cu(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ta(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Mg(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_Ba2LaMgTa(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   4.461
_cell_length_c   11.723
_cell_angle_alpha   90.007
_cell_angle_beta   90.002
_cell_angle_gamma   85.345
_symmetry_Int_Tables_number   1
_cell_volume   232.684
_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  0.409  0.410  0.194  1.0
  Ba  Ba1  1  0.409  0.410  0.806  1.0
  La  La2  1  0.635  0.634  0.500  1.0
  Mg  Mg3  1  0.198  0.198  0.500  1.0
  Ta  Ta4  1  0.929  0.929  1.000  1.0
  Cu  Cu5  1  0.915  0.916  0.686  1.0
  Cu  Cu6  1  0.915  0.915  0.314  1.0
  O  O7  1  0.015  0.015  0.158  1.0
  O  O8  1  0.533  0.074  0.617  1.0
  O  O9  1  0.074  0.533  0.617  1.0
  O  O10  1  0.074  0.533  0.383  1.0
  O  O11  1  0.533  0.074  0.383  1.0
  O  O12  1  0.508  0.986  0.000  1.0
  O  O13  1  0.015  0.015  0.842  1.0
  O  O14  1  0.986  0.508  0.000  1.0
[/CIF]
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The material described by Ba2MgLaTa(CuO4)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. La(1) is bonded in a 4-coordinate geometry to eight equivalent O(2) atoms. Ta(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Cu(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ta(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Mg(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_Ba2LaMgTa(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.464
_cell_length_b   4.461
_cell_length_c   11.723
_cell_angle_alpha   90.007
_cell_angle_beta   90.002
_cell_angle_gamma   85.345
_symmetry_Int_Tables_number   1
_cell_volume   232.684
_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  0.409  0.410  0.194  1.0
  Ba  Ba1  1  0.409  0.410  0.806  1.0
  La  La2  1  0.635  0.634  0.500  1.0
  Mg  Mg3  1  0.198  0.198  0.500  1.0
  Ta  Ta4  1  0.929  0.929  1.000  1.0
  Cu  Cu5  1  0.915  0.916  0.686  1.0
  Cu  Cu6  1  0.915  0.915  0.314  1.0
  O  O7  1  0.015  0.015  0.158  1.0
  O  O8  1  0.533  0.074  0.617  1.0
  O  O9  1  0.074  0.533  0.617  1.0
  O  O10  1  0.074  0.533  0.383  1.0
  O  O11  1  0.533  0.074  0.383  1.0
  O  O12  1  0.508  0.986  0.000  1.0
  O  O13  1  0.015  0.015  0.842  1.0
  O  O14  1  0.986  0.508  0.000  1.0
[/CIF]
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