The structure described by CaNi2(P2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third P site, P(3) is bonded to one O(1), one O(14), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth P site, P(4) is bonded to one O(13), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ni(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ni(1), one Ni(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(3) atom. is represented by the CIF card [CIF]
data_CaNi2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.602
_cell_length_c   6.787
_cell_angle_alpha   114.173
_cell_angle_beta   87.595
_cell_angle_gamma   96.913
_symmetry_Int_Tables_number   1
_cell_volume   261.585
_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
  Ca  Ca0  1  0.869  0.728  0.178  1.0
  Ni  Ni1  1  0.353  0.103  0.213  1.0
  Ni  Ni2  1  0.650  0.904  0.786  1.0
  P  P3  1  0.864  0.227  0.243  1.0
  P  P4  1  0.140  0.779  0.756  1.0
  P  P5  1  0.377  0.643  0.341  1.0
  P  P6  1  0.620  0.358  0.658  1.0
  O  O7  1  0.220  0.621  0.524  1.0
  O  O8  1  0.791  0.376  0.485  1.0
  O  O9  1  0.036  0.095  0.262  1.0
  O  O10  1  0.962  0.892  0.721  1.0
  O  O11  1  0.412  0.251  0.536  1.0
  O  O12  1  0.590  0.759  0.450  1.0
  O  O13  1  0.617  0.597  0.825  1.0
  O  O14  1  0.397  0.405  0.183  1.0
  O  O15  1  0.063  0.625  0.867  1.0
  O  O16  1  0.928  0.388  0.142  1.0
  O  O17  1  0.332  0.939  0.876  1.0
  O  O18  1  0.673  0.051  0.131  1.0
  O  O19  1  0.682  0.202  0.753  1.0
  O  O20  1  0.283  0.785  0.244  1.0
[/CIF]
.
The structure described by CaNi2(P2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third P site, P(3) is bonded to one O(1), one O(14), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth P site, P(4) is bonded to one O(13), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ni(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ni(1), one Ni(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(3) atom. is represented by the CIF card [CIF]
data_CaNi2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.602
_cell_length_c   6.787
_cell_angle_alpha   114.173
_cell_angle_beta   87.595
_cell_angle_gamma   96.913
_symmetry_Int_Tables_number   1
_cell_volume   261.585
_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
  Ca  Ca0  1  0.869  0.728  0.178  1.0
  Ni  Ni1  1  0.353  0.103  0.213  1.0
  Ni  Ni2  1  0.650  0.904  0.786  1.0
  P  P3  1  0.864  0.227  0.243  1.0
  P  P4  1  0.140  0.779  0.756  1.0
  P  P5  1  0.377  0.643  0.341  1.0
  P  P6  1  0.620  0.358  0.658  1.0
  O  O7  1  0.220  0.621  0.524  1.0
  O  O8  1  0.791  0.376  0.485  1.0
  O  O9  1  0.036  0.095  0.262  1.0
  O  O10  1  0.962  0.892  0.721  1.0
  O  O11  1  0.412  0.251  0.536  1.0
  O  O12  1  0.590  0.759  0.450  1.0
  O  O13  1  0.617  0.597  0.825  1.0
  O  O14  1  0.397  0.405  0.183  1.0
  O  O15  1  0.063  0.625  0.867  1.0
  O  O16  1  0.928  0.388  0.142  1.0
  O  O17  1  0.332  0.939  0.876  1.0
  O  O18  1  0.673  0.051  0.131  1.0
  O  O19  1  0.682  0.202  0.753  1.0
  O  O20  1  0.283  0.785  0.244  1.0
[/CIF]
.