The material structure described by SrMgNi(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(4), one O(6), one O(7), and one O(8) atom. Ni(1) is bonded in a distorted bent 150 degrees 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), and one O(7) 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 distorted bent 120 degrees 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 3-coordinate geometry to one Mg(1), one Ni(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 Ni(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrMgNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   6.914
_cell_length_c   9.298
_cell_angle_alpha   111.114
_cell_angle_beta   101.184
_cell_angle_gamma   97.990
_symmetry_Int_Tables_number   1
_cell_volume   315.424
_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  0.199  0.750  0.052  1.0
  Sr  Sr1  1  0.801  0.250  0.948  1.0
  Mg  Mg2  1  0.329  0.733  0.655  1.0
  Mg  Mg3  1  0.671  0.267  0.345  1.0
  Ni  Ni4  1  0.080  0.293  0.561  1.0
  Ni  Ni5  1  0.920  0.707  0.439  1.0
  P  P6  1  0.159  0.187  0.239  1.0
  P  P7  1  0.841  0.813  0.761  1.0
  P  P8  1  0.540  0.723  0.304  1.0
  P  P9  1  0.460  0.277  0.696  1.0
  O  O10  1  0.938  0.665  0.882  1.0
  O  O11  1  0.454  0.265  0.207  1.0
  O  O12  1  0.898  0.037  0.764  1.0
  O  O13  1  0.260  0.422  0.696  1.0
  O  O14  1  0.546  0.735  0.793  1.0
  O  O15  1  0.425  0.172  0.574  1.0
  O  O16  1  0.575  0.828  0.426  1.0
  O  O17  1  0.393  0.129  0.866  1.0
  O  O18  1  0.102  0.963  0.236  1.0
  O  O19  1  0.607  0.871  0.134  1.0
  O  O20  1  0.062  0.335  0.118  1.0
  O  O21  1  0.980  0.189  0.403  1.0
  O  O22  1  0.020  0.811  0.597  1.0
  O  O23  1  0.252  0.585  0.370  1.0
  O  O24  1  0.740  0.578  0.304  1.0
  O  O25  1  0.748  0.415  0.630  1.0
[/CIF]
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The material structure described by SrMgNi(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(4), one O(6), one O(7), and one O(8) atom. Ni(1) is bonded in a distorted bent 150 degrees 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), and one O(7) 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 distorted bent 120 degrees 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 3-coordinate geometry to one Mg(1), one Ni(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 Ni(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(2) atom. is represented by the CIF card [CIF]
data_SrMgNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   6.914
_cell_length_c   9.298
_cell_angle_alpha   111.114
_cell_angle_beta   101.184
_cell_angle_gamma   97.990
_symmetry_Int_Tables_number   1
_cell_volume   315.424
_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  0.199  0.750  0.052  1.0
  Sr  Sr1  1  0.801  0.250  0.948  1.0
  Mg  Mg2  1  0.329  0.733  0.655  1.0
  Mg  Mg3  1  0.671  0.267  0.345  1.0
  Ni  Ni4  1  0.080  0.293  0.561  1.0
  Ni  Ni5  1  0.920  0.707  0.439  1.0
  P  P6  1  0.159  0.187  0.239  1.0
  P  P7  1  0.841  0.813  0.761  1.0
  P  P8  1  0.540  0.723  0.304  1.0
  P  P9  1  0.460  0.277  0.696  1.0
  O  O10  1  0.938  0.665  0.882  1.0
  O  O11  1  0.454  0.265  0.207  1.0
  O  O12  1  0.898  0.037  0.764  1.0
  O  O13  1  0.260  0.422  0.696  1.0
  O  O14  1  0.546  0.735  0.793  1.0
  O  O15  1  0.425  0.172  0.574  1.0
  O  O16  1  0.575  0.828  0.426  1.0
  O  O17  1  0.393  0.129  0.866  1.0
  O  O18  1  0.102  0.963  0.236  1.0
  O  O19  1  0.607  0.871  0.134  1.0
  O  O20  1  0.062  0.335  0.118  1.0
  O  O21  1  0.980  0.189  0.403  1.0
  O  O22  1  0.020  0.811  0.597  1.0
  O  O23  1  0.252  0.585  0.370  1.0
  O  O24  1  0.740  0.578  0.304  1.0
  O  O25  1  0.748  0.415  0.630  1.0
[/CIF]
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