The material structure described by MgNi3P3O13 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form NiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ni site, Ni(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with three equivalent Ni(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(2)O5 square pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1), one Ni(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Ni(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   7.459
_cell_length_c   10.201
_cell_angle_alpha   79.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.440
_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
  Mg  Mg0  1  0.750  0.364  0.170  1.0
  Mg  Mg1  1  0.250  0.636  0.830  1.0
  Ni  Ni2  1  0.250  0.640  0.201  1.0
  Ni  Ni3  1  0.750  0.360  0.799  1.0
  Ni  Ni4  1  0.250  0.237  0.436  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  Ni  Ni6  1  0.750  0.763  0.564  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.791  0.488  1.0
  P  P9  1  0.750  0.209  0.512  1.0
  P  P10  1  0.250  0.264  0.763  1.0
  P  P11  1  0.750  0.736  0.237  1.0
  P  P12  1  0.750  0.682  0.886  1.0
  P  P13  1  0.250  0.318  0.114  1.0
  O  O14  1  0.750  0.626  0.746  1.0
  O  O15  1  0.562  0.246  0.409  1.0
  O  O16  1  0.250  0.204  0.630  1.0
  O  O17  1  0.537  0.787  0.897  1.0
  O  O18  1  0.750  0.351  0.604  1.0
  O  O19  1  0.750  0.124  0.904  1.0
  O  O20  1  0.250  0.649  0.396  1.0
  O  O21  1  0.037  0.213  0.103  1.0
  O  O22  1  0.250  0.981  0.403  1.0
  O  O23  1  0.750  0.019  0.597  1.0
  O  O24  1  0.063  0.393  0.789  1.0
  O  O25  1  0.250  0.876  0.096  1.0
  O  O26  1  0.563  0.607  0.211  1.0
  O  O27  1  0.750  0.492  0.976  1.0
  O  O28  1  0.750  0.796  0.370  1.0
  O  O29  1  0.463  0.213  0.103  1.0
  O  O30  1  0.938  0.246  0.409  1.0
  O  O31  1  0.438  0.754  0.591  1.0
  O  O32  1  0.437  0.393  0.789  1.0
  O  O33  1  0.250  0.374  0.254  1.0
  O  O34  1  0.750  0.910  0.127  1.0
  O  O35  1  0.250  0.090  0.873  1.0
  O  O36  1  0.937  0.607  0.211  1.0
  O  O37  1  0.963  0.787  0.897  1.0
  O  O38  1  0.062  0.754  0.591  1.0
  O  O39  1  0.250  0.508  0.024  1.0
[/CIF]
.
The material structure described by MgNi3P3O13 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form NiO5 square pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ni site, Ni(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with three equivalent Ni(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(2)O5 square pyramid, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1), one Ni(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Ni(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.217
_cell_length_b   7.459
_cell_length_c   10.201
_cell_angle_alpha   79.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.440
_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
  Mg  Mg0  1  0.750  0.364  0.170  1.0
  Mg  Mg1  1  0.250  0.636  0.830  1.0
  Ni  Ni2  1  0.250  0.640  0.201  1.0
  Ni  Ni3  1  0.750  0.360  0.799  1.0
  Ni  Ni4  1  0.250  0.237  0.436  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  Ni  Ni6  1  0.750  0.763  0.564  1.0
  Ni  Ni7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.791  0.488  1.0
  P  P9  1  0.750  0.209  0.512  1.0
  P  P10  1  0.250  0.264  0.763  1.0
  P  P11  1  0.750  0.736  0.237  1.0
  P  P12  1  0.750  0.682  0.886  1.0
  P  P13  1  0.250  0.318  0.114  1.0
  O  O14  1  0.750  0.626  0.746  1.0
  O  O15  1  0.562  0.246  0.409  1.0
  O  O16  1  0.250  0.204  0.630  1.0
  O  O17  1  0.537  0.787  0.897  1.0
  O  O18  1  0.750  0.351  0.604  1.0
  O  O19  1  0.750  0.124  0.904  1.0
  O  O20  1  0.250  0.649  0.396  1.0
  O  O21  1  0.037  0.213  0.103  1.0
  O  O22  1  0.250  0.981  0.403  1.0
  O  O23  1  0.750  0.019  0.597  1.0
  O  O24  1  0.063  0.393  0.789  1.0
  O  O25  1  0.250  0.876  0.096  1.0
  O  O26  1  0.563  0.607  0.211  1.0
  O  O27  1  0.750  0.492  0.976  1.0
  O  O28  1  0.750  0.796  0.370  1.0
  O  O29  1  0.463  0.213  0.103  1.0
  O  O30  1  0.938  0.246  0.409  1.0
  O  O31  1  0.438  0.754  0.591  1.0
  O  O32  1  0.437  0.393  0.789  1.0
  O  O33  1  0.250  0.374  0.254  1.0
  O  O34  1  0.750  0.910  0.127  1.0
  O  O35  1  0.250  0.090  0.873  1.0
  O  O36  1  0.937  0.607  0.211  1.0
  O  O37  1  0.963  0.787  0.897  1.0
  O  O38  1  0.062  0.754  0.591  1.0
  O  O39  1  0.250  0.508  0.024  1.0
[/CIF]
.