The compound described by MgCu2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. is represented by the CIF card [CIF]
data_MgCu2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   6.120
_cell_length_c   5.598
_cell_angle_alpha   77.311
_cell_angle_beta   59.509
_cell_angle_gamma   102.666
_symmetry_Int_Tables_number   1
_cell_volume   148.193
_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
  Mg  Mg0  1  0.428  0.250  0.424  1.0
  Cu  Cu1  1  0.541  0.750  0.540  1.0
  Cu  Cu2  1  0.774  0.250  0.773  1.0
  P  P3  1  0.880  0.750  0.880  1.0
  P  P4  1  0.137  0.250  0.136  1.0
  O  O5  1  0.271  0.406  0.801  1.0
  O  O6  1  0.725  0.603  0.222  1.0
  O  O7  1  0.223  0.897  0.724  1.0
  O  O8  1  0.339  0.111  0.135  1.0
  O  O9  1  0.136  0.389  0.339  1.0
  O  O10  1  0.828  0.574  0.737  1.0
  O  O11  1  0.802  0.094  0.270  1.0
  O  O12  1  0.737  0.926  0.828  1.0
[/CIF]
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The compound described by MgCu2(PO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. is represented by the CIF card [CIF]
data_MgCu2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   6.120
_cell_length_c   5.598
_cell_angle_alpha   77.311
_cell_angle_beta   59.509
_cell_angle_gamma   102.666
_symmetry_Int_Tables_number   1
_cell_volume   148.193
_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
  Mg  Mg0  1  0.428  0.250  0.424  1.0
  Cu  Cu1  1  0.541  0.750  0.540  1.0
  Cu  Cu2  1  0.774  0.250  0.773  1.0
  P  P3  1  0.880  0.750  0.880  1.0
  P  P4  1  0.137  0.250  0.136  1.0
  O  O5  1  0.271  0.406  0.801  1.0
  O  O6  1  0.725  0.603  0.222  1.0
  O  O7  1  0.223  0.897  0.724  1.0
  O  O8  1  0.339  0.111  0.135  1.0
  O  O9  1  0.136  0.389  0.339  1.0
  O  O10  1  0.828  0.574  0.737  1.0
  O  O11  1  0.802  0.094  0.270  1.0
  O  O12  1  0.737  0.926  0.828  1.0
[/CIF]
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