The crystal structure described by Ba2MgCu(PO4)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded to one Cu(1), one O(3), and two equivalent O(1) atoms to form distorted MgCuO3 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mg(1)CuO3 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mg(1)CuO3 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Mg(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one Mg(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Ba2MgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   6.985
_cell_length_c   7.158
_cell_angle_alpha   94.015
_cell_angle_beta   90.004
_cell_angle_gamma   114.165
_symmetry_Int_Tables_number   1
_cell_volume   259.983
_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  0.858  0.717  0.781  1.0
  Ba  Ba1  1  0.148  0.296  0.184  1.0
  Mg  Mg2  1  0.637  0.274  0.454  1.0
  Cu  Cu3  1  0.445  0.890  0.362  1.0
  P  P4  1  0.856  0.711  0.302  1.0
  P  P5  1  0.169  0.337  0.722  1.0
  O  O6  1  0.394  0.346  0.595  1.0
  O  O7  1  0.092  0.751  0.432  1.0
  O  O8  1  0.659  0.751  0.431  1.0
  O  O9  1  0.953  0.346  0.594  1.0
  O  O10  1  0.734  0.467  0.233  1.0
  O  O11  1  0.067  0.133  0.827  1.0
  O  O12  1  0.926  0.851  0.137  1.0
  O  O13  1  0.264  0.529  0.870  1.0
[/CIF]
.
The crystal structure described by Ba2MgCu(PO4)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded to one Cu(1), one O(3), and two equivalent O(1) atoms to form distorted MgCuO3 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mg(1)CuO3 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mg(1)CuO3 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Mg(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one Mg(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Ba2MgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   6.985
_cell_length_c   7.158
_cell_angle_alpha   94.015
_cell_angle_beta   90.004
_cell_angle_gamma   114.165
_symmetry_Int_Tables_number   1
_cell_volume   259.983
_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  0.858  0.717  0.781  1.0
  Ba  Ba1  1  0.148  0.296  0.184  1.0
  Mg  Mg2  1  0.637  0.274  0.454  1.0
  Cu  Cu3  1  0.445  0.890  0.362  1.0
  P  P4  1  0.856  0.711  0.302  1.0
  P  P5  1  0.169  0.337  0.722  1.0
  O  O6  1  0.394  0.346  0.595  1.0
  O  O7  1  0.092  0.751  0.432  1.0
  O  O8  1  0.659  0.751  0.431  1.0
  O  O9  1  0.953  0.346  0.594  1.0
  O  O10  1  0.734  0.467  0.233  1.0
  O  O11  1  0.067  0.133  0.827  1.0
  O  O12  1  0.926  0.851  0.137  1.0
  O  O13  1  0.264  0.529  0.870  1.0
[/CIF]
.