The compound described by Li2Ni5Si4O14 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one Ni(3), one O(1), one O(4), and one O(5) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to two equivalent O(2) and two equivalent O(5) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the second Si site, Si(2) is bonded in a distorted water-like geometry to one O(1) and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one Si(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ni(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Ni(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Li(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ni(3) and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Si4Ni5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.924
_cell_length_c   5.421
_cell_angle_alpha   91.010
_cell_angle_beta   105.249
_cell_angle_gamma   114.339
_symmetry_Int_Tables_number   1
_cell_volume   279.967
_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
  Li  Li0  1  0.453  0.229  0.104  1.0
  Li  Li1  1  0.547  0.771  0.896  1.0
  Si  Si2  1  0.861  0.498  0.225  1.0
  Si  Si3  1  0.392  0.791  0.212  1.0
  Si  Si4  1  0.608  0.209  0.788  1.0
  Si  Si5  1  0.139  0.502  0.775  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.810  0.078  0.399  1.0
  Ni  Ni8  1  0.704  0.633  0.583  1.0
  Ni  Ni9  1  0.296  0.367  0.417  1.0
  Ni  Ni10  1  0.190  0.922  0.601  1.0
  O  O11  1  0.573  0.885  0.184  1.0
  O  O12  1  0.959  0.798  0.343  1.0
  O  O13  1  0.276  0.527  0.017  1.0
  O  O14  1  0.733  0.403  0.329  1.0
  O  O15  1  0.267  0.031  0.192  1.0
  O  O16  1  0.434  0.689  0.412  1.0
  O  O17  1  0.018  0.306  0.226  1.0
  O  O18  1  0.982  0.694  0.774  1.0
  O  O19  1  0.566  0.311  0.588  1.0
  O  O20  1  0.733  0.969  0.808  1.0
  O  O21  1  0.267  0.597  0.671  1.0
  O  O22  1  0.724  0.473  0.983  1.0
  O  O23  1  0.041  0.202  0.657  1.0
  O  O24  1  0.427  0.115  0.816  1.0
[/CIF]
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The compound described by Li2Ni5Si4O14 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one Ni(3), one O(1), one O(4), and one O(5) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to two equivalent O(2) and two equivalent O(5) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the second Si site, Si(2) is bonded in a distorted water-like geometry to one O(1) and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one Si(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ni(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Li(1), one Ni(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Li(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ni(3) and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Si4Ni5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.924
_cell_length_c   5.421
_cell_angle_alpha   91.010
_cell_angle_beta   105.249
_cell_angle_gamma   114.339
_symmetry_Int_Tables_number   1
_cell_volume   279.967
_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
  Li  Li0  1  0.453  0.229  0.104  1.0
  Li  Li1  1  0.547  0.771  0.896  1.0
  Si  Si2  1  0.861  0.498  0.225  1.0
  Si  Si3  1  0.392  0.791  0.212  1.0
  Si  Si4  1  0.608  0.209  0.788  1.0
  Si  Si5  1  0.139  0.502  0.775  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  Ni  Ni7  1  0.810  0.078  0.399  1.0
  Ni  Ni8  1  0.704  0.633  0.583  1.0
  Ni  Ni9  1  0.296  0.367  0.417  1.0
  Ni  Ni10  1  0.190  0.922  0.601  1.0
  O  O11  1  0.573  0.885  0.184  1.0
  O  O12  1  0.959  0.798  0.343  1.0
  O  O13  1  0.276  0.527  0.017  1.0
  O  O14  1  0.733  0.403  0.329  1.0
  O  O15  1  0.267  0.031  0.192  1.0
  O  O16  1  0.434  0.689  0.412  1.0
  O  O17  1  0.018  0.306  0.226  1.0
  O  O18  1  0.982  0.694  0.774  1.0
  O  O19  1  0.566  0.311  0.588  1.0
  O  O20  1  0.733  0.969  0.808  1.0
  O  O21  1  0.267  0.597  0.671  1.0
  O  O22  1  0.724  0.473  0.983  1.0
  O  O23  1  0.041  0.202  0.657  1.0
  O  O24  1  0.427  0.115  0.816  1.0
[/CIF]
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