The structure described by Ba4Mg(CuO2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(5), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(5) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(7) atom. In the third Cu site, Cu(3) is bonded in a T-shaped geometry to one O(2), one O(4), and one O(6) atom. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ba(4), two equivalent Ba(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa3Cu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), one Mg(1), and one Cu(4) atom to form distorted corner-sharing OBa2MgCu trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Mg(1), and one Cu(3) atom to form distorted corner-sharing OBa2MgCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Ba(3), two equivalent Ba(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa3Cu tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(2), one Mg(1), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ba(2), two equivalent Ba(4), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba4Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.228
_cell_length_b   15.262
_cell_length_c   3.907
_cell_angle_alpha   88.649
_cell_angle_beta   80.467
_cell_angle_gamma   83.833
_symmetry_Int_Tables_number   1
_cell_volume   364.103
_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  0.182  0.063  0.530  1.0
  Ba  Ba1  1  0.318  0.438  0.450  1.0
  Ba  Ba2  1  0.917  0.836  0.640  1.0
  Ba  Ba3  1  0.583  0.664  0.340  1.0
  Mg  Mg4  1  0.250  0.250  0.989  1.0
  Cu  Cu5  1  0.335  0.867  0.967  1.0
  Cu  Cu6  1  0.165  0.633  0.013  1.0
  Cu  Cu7  1  0.680  0.177  0.989  1.0
  Cu  Cu8  1  0.820  0.324  0.988  1.0
  O  O9  1  0.958  0.721  0.147  1.0
  O  O10  1  0.967  0.194  0.979  1.0
  O  O11  1  0.084  0.368  0.993  1.0
  O  O12  1  0.415  0.133  0.986  1.0
  O  O13  1  0.543  0.780  0.834  1.0
  O  O14  1  0.532  0.307  0.996  1.0
  O  O15  1  0.404  0.554  0.904  1.0
  O  O16  1  0.096  0.946  0.076  1.0
[/CIF]
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The structure described by Ba4Mg(CuO2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(5), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(6) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(5) and one O(8) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(7) atom. In the third Cu site, Cu(3) is bonded in a T-shaped geometry to one O(2), one O(4), and one O(6) atom. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ba(4), two equivalent Ba(3), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa3Cu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Cu(3), and one Cu(4) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), one Mg(1), and one Cu(4) atom to form distorted corner-sharing OBa2MgCu trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Mg(1), and one Cu(3) atom to form distorted corner-sharing OBa2MgCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Ba(3), two equivalent Ba(4), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa3Cu tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(2), one Mg(1), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ba(2), two equivalent Ba(4), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba4Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.228
_cell_length_b   15.262
_cell_length_c   3.907
_cell_angle_alpha   88.649
_cell_angle_beta   80.467
_cell_angle_gamma   83.833
_symmetry_Int_Tables_number   1
_cell_volume   364.103
_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  0.182  0.063  0.530  1.0
  Ba  Ba1  1  0.318  0.438  0.450  1.0
  Ba  Ba2  1  0.917  0.836  0.640  1.0
  Ba  Ba3  1  0.583  0.664  0.340  1.0
  Mg  Mg4  1  0.250  0.250  0.989  1.0
  Cu  Cu5  1  0.335  0.867  0.967  1.0
  Cu  Cu6  1  0.165  0.633  0.013  1.0
  Cu  Cu7  1  0.680  0.177  0.989  1.0
  Cu  Cu8  1  0.820  0.324  0.988  1.0
  O  O9  1  0.958  0.721  0.147  1.0
  O  O10  1  0.967  0.194  0.979  1.0
  O  O11  1  0.084  0.368  0.993  1.0
  O  O12  1  0.415  0.133  0.986  1.0
  O  O13  1  0.543  0.780  0.834  1.0
  O  O14  1  0.532  0.307  0.996  1.0
  O  O15  1  0.404  0.554  0.904  1.0
  O  O16  1  0.096  0.946  0.076  1.0
[/CIF]
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