The material described by Li2Ni5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. In the second P site, P(2) is bonded in a distorted water-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.887
_cell_length_c   5.196
_cell_angle_alpha   93.852
_cell_angle_beta   98.316
_cell_angle_gamma   110.331
_symmetry_Int_Tables_number   1
_cell_volume   295.656
_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  0.283  0.629  0.042  1.0
  Li  Li1  1  0.717  0.371  0.958  1.0
  Ni  Ni2  1  0.770  0.102  0.255  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.670  0.635  0.406  1.0
  Ni  Ni5  1  0.330  0.365  0.594  1.0
  Ni  Ni6  1  0.230  0.898  0.745  1.0
  P  P7  1  0.579  0.852  0.794  1.0
  P  P8  1  0.971  0.359  0.697  1.0
  P  P9  1  0.029  0.641  0.303  1.0
  P  P10  1  0.421  0.148  0.206  1.0
  O  O11  1  0.055  0.645  0.794  1.0
  O  O12  1  0.124  0.209  0.659  1.0
  O  O13  1  0.747  0.902  0.983  1.0
  O  O14  1  0.491  0.111  0.768  1.0
  O  O15  1  0.433  0.655  0.825  1.0
  O  O16  1  0.945  0.355  0.206  1.0
  O  O17  1  0.876  0.791  0.341  1.0
  O  O18  1  0.253  0.098  0.017  1.0
  O  O19  1  0.509  0.889  0.232  1.0
  O  O20  1  0.567  0.345  0.175  1.0
  O  O21  1  0.104  0.769  0.174  1.0
  O  O22  1  0.815  0.345  0.507  1.0
  O  O23  1  0.369  0.276  0.363  1.0
  O  O24  1  0.631  0.724  0.637  1.0
  O  O25  1  0.185  0.655  0.493  1.0
  O  O26  1  0.896  0.231  0.826  1.0
[/CIF]
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The material described by Li2Ni5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. In the second P site, P(2) is bonded in a distorted water-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.887
_cell_length_c   5.196
_cell_angle_alpha   93.852
_cell_angle_beta   98.316
_cell_angle_gamma   110.331
_symmetry_Int_Tables_number   1
_cell_volume   295.656
_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  0.283  0.629  0.042  1.0
  Li  Li1  1  0.717  0.371  0.958  1.0
  Ni  Ni2  1  0.770  0.102  0.255  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ni  Ni4  1  0.670  0.635  0.406  1.0
  Ni  Ni5  1  0.330  0.365  0.594  1.0
  Ni  Ni6  1  0.230  0.898  0.745  1.0
  P  P7  1  0.579  0.852  0.794  1.0
  P  P8  1  0.971  0.359  0.697  1.0
  P  P9  1  0.029  0.641  0.303  1.0
  P  P10  1  0.421  0.148  0.206  1.0
  O  O11  1  0.055  0.645  0.794  1.0
  O  O12  1  0.124  0.209  0.659  1.0
  O  O13  1  0.747  0.902  0.983  1.0
  O  O14  1  0.491  0.111  0.768  1.0
  O  O15  1  0.433  0.655  0.825  1.0
  O  O16  1  0.945  0.355  0.206  1.0
  O  O17  1  0.876  0.791  0.341  1.0
  O  O18  1  0.253  0.098  0.017  1.0
  O  O19  1  0.509  0.889  0.232  1.0
  O  O20  1  0.567  0.345  0.175  1.0
  O  O21  1  0.104  0.769  0.174  1.0
  O  O22  1  0.815  0.345  0.507  1.0
  O  O23  1  0.369  0.276  0.363  1.0
  O  O24  1  0.631  0.724  0.637  1.0
  O  O25  1  0.185  0.655  0.493  1.0
  O  O26  1  0.896  0.231  0.826  1.0
[/CIF]
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