The compound described by MgNiP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Ni(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(2) 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(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_MgNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   5.543
_cell_length_c   5.046
_cell_angle_alpha   95.806
_cell_angle_beta   109.407
_cell_angle_gamma   73.910
_symmetry_Int_Tables_number   1
_cell_volume   143.982
_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
  Mg  Mg0  1  0.497  0.175  0.876  1.0
  Ni  Ni1  1  0.097  0.053  0.062  1.0
  P  P2  1  0.286  0.684  0.568  1.0
  P  P3  1  0.654  0.278  0.424  1.0
  O  O4  1  0.779  0.122  0.696  1.0
  O  O5  1  0.235  0.473  0.691  1.0
  O  O6  1  0.810  0.267  0.226  1.0
  O  O7  1  0.326  0.899  0.787  1.0
  O  O8  1  0.574  0.566  0.522  1.0
  O  O9  1  0.104  0.774  0.279  1.0
  O  O10  1  0.408  0.197  0.244  1.0
[/CIF]
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The compound described by MgNiP2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Ni(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Ni(1), and one P(2) 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(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Ni(1), and one P(2) atom. is represented by the CIF file [CIF]
data_MgNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.681
_cell_length_b   5.543
_cell_length_c   5.046
_cell_angle_alpha   95.806
_cell_angle_beta   109.407
_cell_angle_gamma   73.910
_symmetry_Int_Tables_number   1
_cell_volume   143.982
_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
  Mg  Mg0  1  0.497  0.175  0.876  1.0
  Ni  Ni1  1  0.097  0.053  0.062  1.0
  P  P2  1  0.286  0.684  0.568  1.0
  P  P3  1  0.654  0.278  0.424  1.0
  O  O4  1  0.779  0.122  0.696  1.0
  O  O5  1  0.235  0.473  0.691  1.0
  O  O6  1  0.810  0.267  0.226  1.0
  O  O7  1  0.326  0.899  0.787  1.0
  O  O8  1  0.574  0.566  0.522  1.0
  O  O9  1  0.104  0.774  0.279  1.0
  O  O10  1  0.408  0.197  0.244  1.0
[/CIF]
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