The material described by Li7VP4 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(2) atoms. In the second Li site, Li(2) is bonded in a single-bond geometry to one P(2) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(4) and one P(8) atom. In the fourth Li site, Li(4) is bonded in a linear geometry to one P(2) and one P(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(8) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one P(5), one P(7), and two equivalent P(6) atoms. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one V(1), one P(2), one P(4), one P(5), and two equivalent P(3) atoms. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one P(1), one P(5), and one P(7) atom. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one P(3) and one P(4) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one P(1), one P(6), and two equivalent P(5) atoms. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one P(7) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one V(1), one P(1), one P(8), and two equivalent P(7) atoms. In the thirteenth Li site, Li(13) is bonded in a distorted L-shaped geometry to one P(2) and one P(8) atom. In the fourteenth Li site, Li(14) is bonded in a distorted single-bond geometry to one P(6) and one P(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 9-coordinate geometry to one Li(12), one Li(7), one P(3), one P(5), one P(6), one P(7), one P(8), and two equivalent P(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one P(2), one P(3), one P(5), one P(8), and two equivalent P(1) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(5), one Li(8), two equivalent V(2), and one P(5) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), one Li(7), two equivalent Li(1), and one V(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(9), two equivalent Li(7), one V(1), and one V(2) atom. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), two equivalent V(1), and one P(7) atom. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Li(6), one Li(7), one Li(8), two equivalent Li(10), one V(1), one V(2), and one P(1) atom. In the sixth P site, P(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(4), two equivalent Li(6), one V(1), and one P(7) atom. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Li(11), one Li(14), one Li(6), one Li(8), two equivalent Li(12), one V(1), one P(4), and one P(6) atom. In the eighth P site, P(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(3), two equivalent Li(5), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.542
_cell_length_b   8.090
_cell_length_c   9.146
_cell_angle_alpha   87.907
_cell_angle_beta   103.808
_cell_angle_gamma   103.398
_symmetry_Int_Tables_number   1
_cell_volume   317.422
_cell_formula_units_Z   2
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  0.769  0.849  0.638  1.0
  Li  Li1  1  0.092  0.114  0.474  1.0
  Li  Li2  1  0.076  0.446  0.718  1.0
  Li  Li3  1  0.206  0.807  0.469  1.0
  Li  Li4  1  0.342  0.222  0.802  1.0
  Li  Li5  1  0.553  0.652  0.332  1.0
  Li  Li6  1  0.250  0.725  0.795  1.0
  Li  Li7  1  0.564  0.076  0.268  1.0
  Li  Li8  1  0.614  0.518  0.690  1.0
  Li  Li9  1  0.966  0.904  0.193  1.0
  Li  Li10  1  0.556  0.323  0.441  1.0
  Li  Li11  1  0.085  0.254  0.177  1.0
  Li  Li12  1  0.788  0.159  0.656  1.0
  Li  Li13  1  0.094  0.456  0.461  1.0
  V  V14  1  0.044  0.546  0.035  1.0
  V  V15  1  0.666  0.998  0.922  1.0
  P  P16  1  0.232  0.054  0.019  1.0
  P  P17  1  0.331  0.978  0.675  1.0
  P  P18  1  0.805  0.741  0.887  1.0
  P  P19  1  0.474  0.506  0.928  1.0
  P  P20  1  0.419  0.822  0.092  1.0
  P  P21  1  0.008  0.631  0.264  1.0
  P  P22  1  0.662  0.395  0.201  1.0
  P  P23  1  0.896  0.283  0.900  1.0
[/CIF]
.
The material described by Li7VP4 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(2) atoms. In the second Li site, Li(2) is bonded in a single-bond geometry to one P(2) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(4) and one P(8) atom. In the fourth Li site, Li(4) is bonded in a linear geometry to one P(2) and one P(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(8) atoms. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one P(5), one P(7), and two equivalent P(6) atoms. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one V(1), one P(2), one P(4), one P(5), and two equivalent P(3) atoms. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one P(1), one P(5), and one P(7) atom. In the ninth Li site, Li(9) is bonded in a 2-coordinate geometry to one P(3) and one P(4) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one P(1), one P(6), and two equivalent P(5) atoms. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one P(7) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one V(1), one P(1), one P(8), and two equivalent P(7) atoms. In the thirteenth Li site, Li(13) is bonded in a distorted L-shaped geometry to one P(2) and one P(8) atom. In the fourteenth Li site, Li(14) is bonded in a distorted single-bond geometry to one P(6) and one P(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 9-coordinate geometry to one Li(12), one Li(7), one P(3), one P(5), one P(6), one P(7), one P(8), and two equivalent P(4) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one P(2), one P(3), one P(5), one P(8), and two equivalent P(1) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), one Li(5), one Li(8), two equivalent V(2), and one P(5) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Li(13), one Li(2), one Li(4), one Li(5), one Li(7), two equivalent Li(1), and one V(2) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(9), two equivalent Li(7), one V(1), and one V(2) atom. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), two equivalent V(1), and one P(7) atom. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Li(6), one Li(7), one Li(8), two equivalent Li(10), one V(1), one V(2), and one P(1) atom. In the sixth P site, P(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(4), two equivalent Li(6), one V(1), and one P(7) atom. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Li(11), one Li(14), one Li(6), one Li(8), two equivalent Li(12), one V(1), one P(4), and one P(6) atom. In the eighth P site, P(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(3), two equivalent Li(5), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7VP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.542
_cell_length_b   8.090
_cell_length_c   9.146
_cell_angle_alpha   87.907
_cell_angle_beta   103.808
_cell_angle_gamma   103.398
_symmetry_Int_Tables_number   1
_cell_volume   317.422
_cell_formula_units_Z   2
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  0.769  0.849  0.638  1.0
  Li  Li1  1  0.092  0.114  0.474  1.0
  Li  Li2  1  0.076  0.446  0.718  1.0
  Li  Li3  1  0.206  0.807  0.469  1.0
  Li  Li4  1  0.342  0.222  0.802  1.0
  Li  Li5  1  0.553  0.652  0.332  1.0
  Li  Li6  1  0.250  0.725  0.795  1.0
  Li  Li7  1  0.564  0.076  0.268  1.0
  Li  Li8  1  0.614  0.518  0.690  1.0
  Li  Li9  1  0.966  0.904  0.193  1.0
  Li  Li10  1  0.556  0.323  0.441  1.0
  Li  Li11  1  0.085  0.254  0.177  1.0
  Li  Li12  1  0.788  0.159  0.656  1.0
  Li  Li13  1  0.094  0.456  0.461  1.0
  V  V14  1  0.044  0.546  0.035  1.0
  V  V15  1  0.666  0.998  0.922  1.0
  P  P16  1  0.232  0.054  0.019  1.0
  P  P17  1  0.331  0.978  0.675  1.0
  P  P18  1  0.805  0.741  0.887  1.0
  P  P19  1  0.474  0.506  0.928  1.0
  P  P20  1  0.419  0.822  0.092  1.0
  P  P21  1  0.008  0.631  0.264  1.0
  P  P22  1  0.662  0.395  0.201  1.0
  P  P23  1  0.896  0.283  0.900  1.0
[/CIF]
.