The compound described by Sr(NiB)2 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 15-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ni(6), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(7), one B(1), one B(2), one B(6), and two equivalent B(8) atoms. In the second Sr site, Sr(2) is bonded in a 15-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ni(5), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(8), one B(1), one B(2), one B(5), and two equivalent B(7) atoms. In the third Sr site, Sr(3) is bonded in a 15-coordinate geometry to one Sr(4), two equivalent Sr(3), one Ni(3), one Ni(8), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(5), one B(3), one B(4), and two equivalent B(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 15-coordinate geometry to one Sr(3), two equivalent Sr(4), one Ni(4), one Ni(7), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(6), one B(3), one B(4), and two equivalent B(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(6), and two equivalent B(8) atoms. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(5), and two equivalent B(7) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), two equivalent Ni(5), and two equivalent B(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), two equivalent Ni(6), and two equivalent B(5) atoms. In the fifth Ni site, Ni(5) is bonded in a 10-coordinate geometry to one Sr(2), two equivalent Sr(3), one Ni(2), two equivalent Ni(3), two equivalent B(3), and two equivalent B(7) atoms. In the sixth Ni site, Ni(6) is bonded in a 10-coordinate geometry to one Sr(1), two equivalent Sr(4), one Ni(1), two equivalent Ni(4), two equivalent B(4), and two equivalent B(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(1), one B(8), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Ni site, Ni(8) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(2), one B(7), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Ni(7), one B(2), and one B(5) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Ni(8), one B(1), and one B(6) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), two equivalent Ni(5), one B(4), and one B(7) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), two equivalent Ni(6), one B(3), and one B(8) atom. In the fifth B site, B(5) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), two equivalent Ni(4), two equivalent Ni(7), and one B(1) atom. In the sixth B site, B(6) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Ni(3), two equivalent Ni(8), and one B(2) atom. In the seventh B site, B(7) is bonded in a 8-coordinate geometry to two equivalent Sr(2), one Ni(8), two equivalent Ni(2), two equivalent Ni(5), and one B(3) atom. In the eighth B site, B(8) is bonded in a 8-coordinate geometry to two equivalent Sr(1), one Ni(7), two equivalent Ni(1), two equivalent Ni(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Sr(NiB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   7.712
_cell_length_c   11.138
_cell_angle_alpha   98.600
_cell_angle_beta   90.351
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   272.758
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.504  0.666  0.431  1.0
  Sr  Sr1  1  0.498  0.333  0.569  1.0
  Sr  Sr2  1  0.001  0.818  0.917  1.0
  Sr  Sr3  1  0.998  0.183  0.083  1.0
  Ni  Ni4  1  0.497  0.812  0.156  1.0
  Ni  Ni5  1  0.502  0.191  0.844  1.0
  Ni  Ni6  1  0.999  0.715  0.679  1.0
  Ni  Ni7  1  0.003  0.284  0.320  1.0
  Ni  Ni8  1  0.501  0.499  0.811  1.0
  Ni  Ni9  1  0.499  0.502  0.188  1.0
  Ni  Ni10  1  0.999  0.951  0.306  1.0
  Ni  Ni11  1  0.001  0.048  0.695  1.0
  B  B12  1  0.500  0.008  0.429  1.0
  B  B13  1  0.498  0.991  0.572  1.0
  B  B14  1  0.997  0.452  0.927  1.0
  B  B15  1  0.003  0.548  0.072  1.0
  B  B16  1  0.501  0.121  0.308  1.0
  B  B17  1  0.499  0.877  0.692  1.0
  B  B18  1  0.001  0.310  0.792  1.0
  B  B19  1  0.999  0.690  0.208  1.0
[/CIF]
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The compound described by Sr(NiB)2 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 15-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ni(6), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(7), one B(1), one B(2), one B(6), and two equivalent B(8) atoms. In the second Sr site, Sr(2) is bonded in a 15-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ni(5), two equivalent Ni(3), two equivalent Ni(4), two equivalent Ni(8), one B(1), one B(2), one B(5), and two equivalent B(7) atoms. In the third Sr site, Sr(3) is bonded in a 15-coordinate geometry to one Sr(4), two equivalent Sr(3), one Ni(3), one Ni(8), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(5), one B(3), one B(4), and two equivalent B(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 15-coordinate geometry to one Sr(3), two equivalent Sr(4), one Ni(4), one Ni(7), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(6), one B(3), one B(4), and two equivalent B(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(6), and two equivalent B(8) atoms. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(5), and two equivalent B(7) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), two equivalent Ni(5), and two equivalent B(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), two equivalent Ni(6), and two equivalent B(5) atoms. In the fifth Ni site, Ni(5) is bonded in a 10-coordinate geometry to one Sr(2), two equivalent Sr(3), one Ni(2), two equivalent Ni(3), two equivalent B(3), and two equivalent B(7) atoms. In the sixth Ni site, Ni(6) is bonded in a 10-coordinate geometry to one Sr(1), two equivalent Sr(4), one Ni(1), two equivalent Ni(4), two equivalent B(4), and two equivalent B(8) atoms. In the seventh Ni site, Ni(7) is bonded in a 5-coordinate geometry to one Sr(4), two equivalent Sr(1), one B(8), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Ni site, Ni(8) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(2), one B(7), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Ni(7), one B(2), and one B(5) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Ni(8), one B(1), and one B(6) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), two equivalent Ni(5), one B(4), and one B(7) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), two equivalent Ni(6), one B(3), and one B(8) atom. In the fifth B site, B(5) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(4), two equivalent Ni(4), two equivalent Ni(7), and one B(1) atom. In the sixth B site, B(6) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Ni(3), two equivalent Ni(8), and one B(2) atom. In the seventh B site, B(7) is bonded in a 8-coordinate geometry to two equivalent Sr(2), one Ni(8), two equivalent Ni(2), two equivalent Ni(5), and one B(3) atom. In the eighth B site, B(8) is bonded in a 8-coordinate geometry to two equivalent Sr(1), one Ni(7), two equivalent Ni(1), two equivalent Ni(6), and one B(4) atom. is represented by the CIF file [CIF]
data_Sr(NiB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.212
_cell_length_b   7.712
_cell_length_c   11.138
_cell_angle_alpha   98.600
_cell_angle_beta   90.351
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   272.758
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.504  0.666  0.431  1.0
  Sr  Sr1  1  0.498  0.333  0.569  1.0
  Sr  Sr2  1  0.001  0.818  0.917  1.0
  Sr  Sr3  1  0.998  0.183  0.083  1.0
  Ni  Ni4  1  0.497  0.812  0.156  1.0
  Ni  Ni5  1  0.502  0.191  0.844  1.0
  Ni  Ni6  1  0.999  0.715  0.679  1.0
  Ni  Ni7  1  0.003  0.284  0.320  1.0
  Ni  Ni8  1  0.501  0.499  0.811  1.0
  Ni  Ni9  1  0.499  0.502  0.188  1.0
  Ni  Ni10  1  0.999  0.951  0.306  1.0
  Ni  Ni11  1  0.001  0.048  0.695  1.0
  B  B12  1  0.500  0.008  0.429  1.0
  B  B13  1  0.498  0.991  0.572  1.0
  B  B14  1  0.997  0.452  0.927  1.0
  B  B15  1  0.003  0.548  0.072  1.0
  B  B16  1  0.501  0.121  0.308  1.0
  B  B17  1  0.499  0.877  0.692  1.0
  B  B18  1  0.001  0.310  0.792  1.0
  B  B19  1  0.999  0.690  0.208  1.0
[/CIF]
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