The crystal structure described by SrMgCu(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. Mg(1) is bonded in a 2-coordinate geometry to one O(2), one O(6), one O(7), and one O(8) atom. Cu(1) is bonded in a distorted linear geometry to one O(4), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a 1-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cu(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrMgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.653
_cell_length_b   6.752
_cell_length_c   9.230
_cell_angle_alpha   109.188
_cell_angle_beta   102.233
_cell_angle_gamma   99.406
_symmetry_Int_Tables_number   1
_cell_volume   314.590
_cell_formula_units_Z   2
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  0.201  0.744  0.060  1.0
  Sr  Sr1  1  0.799  0.256  0.940  1.0
  Mg  Mg2  1  0.342  0.754  0.648  1.0
  Mg  Mg3  1  0.658  0.246  0.352  1.0
  Cu  Cu4  1  0.097  0.303  0.547  1.0
  Cu  Cu5  1  0.903  0.697  0.453  1.0
  P  P6  1  0.154  0.185  0.242  1.0
  P  P7  1  0.846  0.815  0.758  1.0
  P  P8  1  0.541  0.726  0.301  1.0
  P  P9  1  0.459  0.274  0.699  1.0
  O  O10  1  0.947  0.674  0.880  1.0
  O  O11  1  0.442  0.269  0.209  1.0
  O  O12  1  0.907  0.050  0.750  1.0
  O  O13  1  0.267  0.421  0.681  1.0
  O  O14  1  0.558  0.731  0.791  1.0
  O  O15  1  0.449  0.142  0.588  1.0
  O  O16  1  0.551  0.858  0.412  1.0
  O  O17  1  0.386  0.132  0.875  1.0
  O  O18  1  0.093  0.950  0.250  1.0
  O  O19  1  0.614  0.868  0.125  1.0
  O  O20  1  0.053  0.326  0.120  1.0
  O  O21  1  0.977  0.190  0.404  1.0
  O  O22  1  0.023  0.810  0.596  1.0
  O  O23  1  0.267  0.574  0.356  1.0
  O  O24  1  0.733  0.579  0.319  1.0
  O  O25  1  0.733  0.426  0.644  1.0
[/CIF]
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The crystal structure described by SrMgCu(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. Mg(1) is bonded in a 2-coordinate geometry to one O(2), one O(6), one O(7), and one O(8) atom. Cu(1) is bonded in a distorted linear geometry to one O(4), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a 1-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Sr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cu(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrMgCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.653
_cell_length_b   6.752
_cell_length_c   9.230
_cell_angle_alpha   109.188
_cell_angle_beta   102.233
_cell_angle_gamma   99.406
_symmetry_Int_Tables_number   1
_cell_volume   314.590
_cell_formula_units_Z   2
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  0.201  0.744  0.060  1.0
  Sr  Sr1  1  0.799  0.256  0.940  1.0
  Mg  Mg2  1  0.342  0.754  0.648  1.0
  Mg  Mg3  1  0.658  0.246  0.352  1.0
  Cu  Cu4  1  0.097  0.303  0.547  1.0
  Cu  Cu5  1  0.903  0.697  0.453  1.0
  P  P6  1  0.154  0.185  0.242  1.0
  P  P7  1  0.846  0.815  0.758  1.0
  P  P8  1  0.541  0.726  0.301  1.0
  P  P9  1  0.459  0.274  0.699  1.0
  O  O10  1  0.947  0.674  0.880  1.0
  O  O11  1  0.442  0.269  0.209  1.0
  O  O12  1  0.907  0.050  0.750  1.0
  O  O13  1  0.267  0.421  0.681  1.0
  O  O14  1  0.558  0.731  0.791  1.0
  O  O15  1  0.449  0.142  0.588  1.0
  O  O16  1  0.551  0.858  0.412  1.0
  O  O17  1  0.386  0.132  0.875  1.0
  O  O18  1  0.093  0.950  0.250  1.0
  O  O19  1  0.614  0.868  0.125  1.0
  O  O20  1  0.053  0.326  0.120  1.0
  O  O21  1  0.977  0.190  0.404  1.0
  O  O22  1  0.023  0.810  0.596  1.0
  O  O23  1  0.267  0.574  0.356  1.0
  O  O24  1  0.733  0.579  0.319  1.0
  O  O25  1  0.733  0.426  0.644  1.0
[/CIF]
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