The compound described by MgZn2(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(3)O5 square pyramid. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(7) atom to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 square pyramid. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and one O(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids and corners with two equivalent Ni(3)O5 square pyramids. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Ni(1)O5 square pyramids and corners with three equivalent Ni(3)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(2), one Ni(3), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(2), one Ni(3), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.779
_cell_length_c   6.756
_cell_angle_alpha   74.348
_cell_angle_beta   128.989
_cell_angle_gamma   128.932
_symmetry_Int_Tables_number   1
_cell_volume   179.263
_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  0.737  0.375  0.613  1.0
  Zn  Zn1  1  0.245  0.113  0.880  1.0
  Zn  Zn2  1  0.750  0.895  0.108  1.0
  Ni  Ni3  1  0.480  0.948  0.455  1.0
  Ni  Ni4  1  0.514  0.567  0.564  1.0
  Ni  Ni5  1  0.024  0.541  0.052  1.0
  Ni  Ni6  1  0.991  0.446  0.438  1.0
  O  O7  1  0.015  0.733  0.240  1.0
  O  O8  1  0.480  0.747  0.719  1.0
  O  O9  1  0.490  0.759  0.268  1.0
  O  O10  1  0.998  0.733  0.779  1.0
  O  O11  1  0.554  0.302  0.789  1.0
  O  O12  1  0.500  0.216  0.261  1.0
  O  O13  1  0.028  0.286  0.261  1.0
  O  O14  1  0.946  0.215  0.698  1.0
[/CIF]
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The compound described by MgZn2(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), and one O(8) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(3)O5 square pyramid. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(7) atom to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 square pyramid. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and one O(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Ni(1)O5 square pyramids and corners with two equivalent Ni(3)O5 square pyramids. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Ni(1)O5 square pyramids and corners with three equivalent Ni(3)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(2), one Ni(3), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(2), one Ni(3), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(1), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and face-sharing OMgZnNi2 tetrahedra. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.779
_cell_length_c   6.756
_cell_angle_alpha   74.348
_cell_angle_beta   128.989
_cell_angle_gamma   128.932
_symmetry_Int_Tables_number   1
_cell_volume   179.263
_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  0.737  0.375  0.613  1.0
  Zn  Zn1  1  0.245  0.113  0.880  1.0
  Zn  Zn2  1  0.750  0.895  0.108  1.0
  Ni  Ni3  1  0.480  0.948  0.455  1.0
  Ni  Ni4  1  0.514  0.567  0.564  1.0
  Ni  Ni5  1  0.024  0.541  0.052  1.0
  Ni  Ni6  1  0.991  0.446  0.438  1.0
  O  O7  1  0.015  0.733  0.240  1.0
  O  O8  1  0.480  0.747  0.719  1.0
  O  O9  1  0.490  0.759  0.268  1.0
  O  O10  1  0.998  0.733  0.779  1.0
  O  O11  1  0.554  0.302  0.789  1.0
  O  O12  1  0.500  0.216  0.261  1.0
  O  O13  1  0.028  0.286  0.261  1.0
  O  O14  1  0.946  0.215  0.698  1.0
[/CIF]
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