The material described by Ni3Zn(B2O5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing NiO6 octahedra. Zn(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted ZnO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one B(1) atom to form distorted corner-sharing OZnNi2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(3), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Ni(2), two equivalent Ni(3), and one B(4) atom to form distorted corner-sharing ONi3B trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one B(4) atom. is represented by the CIF file [CIF]
data_ZnNi3(B2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.147
_cell_length_b   6.207
_cell_length_c   9.248
_cell_angle_alpha   104.266
_cell_angle_beta   90.605
_cell_angle_gamma   92.326
_symmetry_Int_Tables_number   1
_cell_volume   174.865
_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
  Zn  Zn0  1  0.267  0.785  0.640  1.0
  Ni  Ni1  1  0.763  0.623  0.897  1.0
  Ni  Ni2  1  0.239  0.378  0.102  1.0
  Ni  Ni3  1  0.725  0.207  0.350  1.0
  B  B4  1  0.305  0.317  0.643  1.0
  B  B5  1  0.697  0.682  0.356  1.0
  B  B6  1  0.667  0.120  0.834  1.0
  B  B7  1  0.332  0.880  0.168  1.0
  O  O8  1  0.260  0.523  0.742  1.0
  O  O9  1  0.743  0.477  0.259  1.0
  O  O10  1  0.233  0.277  0.494  1.0
  O  O11  1  0.766  0.726  0.504  1.0
  O  O12  1  0.446  0.141  0.702  1.0
  O  O13  1  0.555  0.858  0.299  1.0
  O  O14  1  0.784  0.910  0.826  1.0
  O  O15  1  0.220  0.094  0.181  1.0
  O  O16  1  0.738  0.307  0.950  1.0
  O  O17  1  0.260  0.696  0.052  1.0
[/CIF]
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The material described by Ni3Zn(B2O5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form edge-sharing NiO6 octahedra. Zn(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted ZnO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one B(1) atom to form distorted corner-sharing OZnNi2B tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(2), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(3), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Zn(1), and one B(3) atom. In the eighth O site, O(8) is bonded to one Ni(2), two equivalent Ni(3), and one B(4) atom to form distorted corner-sharing ONi3B trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one B(4) atom. is represented by the CIF file [CIF]
data_ZnNi3(B2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.147
_cell_length_b   6.207
_cell_length_c   9.248
_cell_angle_alpha   104.266
_cell_angle_beta   90.605
_cell_angle_gamma   92.326
_symmetry_Int_Tables_number   1
_cell_volume   174.865
_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
  Zn  Zn0  1  0.267  0.785  0.640  1.0
  Ni  Ni1  1  0.763  0.623  0.897  1.0
  Ni  Ni2  1  0.239  0.378  0.102  1.0
  Ni  Ni3  1  0.725  0.207  0.350  1.0
  B  B4  1  0.305  0.317  0.643  1.0
  B  B5  1  0.697  0.682  0.356  1.0
  B  B6  1  0.667  0.120  0.834  1.0
  B  B7  1  0.332  0.880  0.168  1.0
  O  O8  1  0.260  0.523  0.742  1.0
  O  O9  1  0.743  0.477  0.259  1.0
  O  O10  1  0.233  0.277  0.494  1.0
  O  O11  1  0.766  0.726  0.504  1.0
  O  O12  1  0.446  0.141  0.702  1.0
  O  O13  1  0.555  0.858  0.299  1.0
  O  O14  1  0.784  0.910  0.826  1.0
  O  O15  1  0.220  0.094  0.181  1.0
  O  O16  1  0.738  0.307  0.950  1.0
  O  O17  1  0.260  0.696  0.052  1.0
[/CIF]
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