The material described by Sr2MgCu(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Mg(1) is bonded in a distorted linear geometry to two equivalent Cu(1) and two equivalent O(3) atoms. Cu(1) is bonded in a distorted linear geometry to two equivalent Mg(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Mg(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Sr2MgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   8.129
_cell_length_c   6.271
_cell_angle_alpha   108.896
_cell_angle_beta   90.000
_cell_angle_gamma   110.312
_symmetry_Int_Tables_number   1
_cell_volume   253.198
_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
  Sr  Sr0  1  0.211  0.421  0.235  1.0
  Sr  Sr1  1  0.789  0.579  0.765  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.826  0.652  0.292  1.0
  P  P5  1  0.174  0.348  0.708  1.0
  O  O6  1  0.375  0.314  0.545  1.0
  O  O7  1  0.062  0.686  0.455  1.0
  O  O8  1  0.625  0.686  0.455  1.0
  O  O9  1  0.938  0.314  0.545  1.0
  O  O10  1  0.729  0.459  0.105  1.0
  O  O11  1  0.094  0.189  0.815  1.0
  O  O12  1  0.906  0.811  0.185  1.0
  O  O13  1  0.271  0.541  0.895  1.0
[/CIF]
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The material described by Sr2MgCu(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Mg(1) is bonded in a distorted linear geometry to two equivalent Cu(1) and two equivalent O(3) atoms. Cu(1) is bonded in a distorted linear geometry to two equivalent Mg(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Mg(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Sr2MgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   8.129
_cell_length_c   6.271
_cell_angle_alpha   108.896
_cell_angle_beta   90.000
_cell_angle_gamma   110.312
_symmetry_Int_Tables_number   1
_cell_volume   253.198
_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
  Sr  Sr0  1  0.211  0.421  0.235  1.0
  Sr  Sr1  1  0.789  0.579  0.765  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.826  0.652  0.292  1.0
  P  P5  1  0.174  0.348  0.708  1.0
  O  O6  1  0.375  0.314  0.545  1.0
  O  O7  1  0.062  0.686  0.455  1.0
  O  O8  1  0.625  0.686  0.455  1.0
  O  O9  1  0.938  0.314  0.545  1.0
  O  O10  1  0.729  0.459  0.105  1.0
  O  O11  1  0.094  0.189  0.815  1.0
  O  O12  1  0.906  0.811  0.185  1.0
  O  O13  1  0.271  0.541  0.895  1.0
[/CIF]
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