The crystal structure described by Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(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 4-coordinate geometry to two equivalent Sr(1), one Cu(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 single-bond geometry to two equivalent Sr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sr2Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.366
_cell_length_b   6.366
_cell_length_c   6.679
_cell_angle_alpha   75.048
_cell_angle_beta   75.048
_cell_angle_gamma   47.550
_symmetry_Int_Tables_number   1
_cell_volume   191.632
_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  0.829  0.829  0.217  1.0
  Sr  Sr1  1  0.171  0.171  0.783  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.142  0.142  0.290  1.0
  P  P4  1  0.858  0.858  0.710  1.0
  O  O5  1  0.114  0.624  0.564  1.0
  O  O6  1  0.376  0.886  0.436  1.0
  O  O7  1  0.886  0.376  0.436  1.0
  O  O8  1  0.624  0.114  0.564  1.0
  O  O9  1  0.271  0.271  0.142  1.0
  O  O10  1  0.950  0.950  0.832  1.0
  O  O11  1  0.050  0.050  0.168  1.0
  O  O12  1  0.729  0.729  0.858  1.0
[/CIF]
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The crystal structure described by Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(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 4-coordinate geometry to two equivalent Sr(1), one Cu(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 single-bond geometry to two equivalent Sr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Sr2Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.366
_cell_length_b   6.366
_cell_length_c   6.679
_cell_angle_alpha   75.048
_cell_angle_beta   75.048
_cell_angle_gamma   47.550
_symmetry_Int_Tables_number   1
_cell_volume   191.632
_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  0.829  0.829  0.217  1.0
  Sr  Sr1  1  0.171  0.171  0.783  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.142  0.142  0.290  1.0
  P  P4  1  0.858  0.858  0.710  1.0
  O  O5  1  0.114  0.624  0.564  1.0
  O  O6  1  0.376  0.886  0.436  1.0
  O  O7  1  0.886  0.376  0.436  1.0
  O  O8  1  0.624  0.114  0.564  1.0
  O  O9  1  0.271  0.271  0.142  1.0
  O  O10  1  0.950  0.950  0.832  1.0
  O  O11  1  0.050  0.050  0.168  1.0
  O  O12  1  0.729  0.729  0.858  1.0
[/CIF]
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