The structure described by MgCuPO4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded to four equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Cu(1)O4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   5.037
_cell_length_c   5.035
_cell_angle_alpha   60.016
_cell_angle_beta   90.000
_cell_angle_gamma   60.016
_symmetry_Int_Tables_number   1
_cell_volume   90.338
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.205  0.255  0.066  1.0
  O  O4  1  0.934  0.745  0.461  1.0
  O  O5  1  0.539  0.255  0.679  1.0
  O  O6  1  0.321  0.745  0.795  1.0
[/CIF]
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The structure described by MgCuPO4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded to four equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Cu(1)O4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Mg(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   5.037
_cell_length_c   5.035
_cell_angle_alpha   60.016
_cell_angle_beta   90.000
_cell_angle_gamma   60.016
_symmetry_Int_Tables_number   1
_cell_volume   90.338
_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  0.500  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.205  0.255  0.066  1.0
  O  O4  1  0.934  0.745  0.461  1.0
  O  O5  1  0.539  0.255  0.679  1.0
  O  O6  1  0.321  0.745  0.795  1.0
[/CIF]
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