The material described by Li5V3(FeO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(2), two equivalent V(1), and one Fe(1) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4VFe octahedra,  an edgeedge with one O(1)Li2V3Fe octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(2)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to two equivalent Li(2), one V(2), two equivalent V(1), and one Fe(1) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(2)Li2V3Fe octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(1)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(2)Li2V3Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra, edges with two equivalent O(1)Li2V3Fe octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(4)Li3V2Fe octahedra, edges with three equivalent O(1)Li2V3Fe octahedra, edges with three equivalent O(2)Li2V3Fe octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi4VFe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(1)Li2V3Fe octahedra,  an edgeedge with one O(5)Li4VFe octahedra, edges with two equivalent O(1)Li2V3Fe octahedra, edges with two equivalent O(2)Li2V3Fe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. is represented by the CIF card [CIF]
data_Li5V3(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.242
_cell_length_c   7.939
_cell_angle_alpha   108.136
_cell_angle_beta   102.289
_cell_angle_gamma   100.714
_symmetry_Int_Tables_number   1
_cell_volume   189.893
_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  0.206  0.926  0.414  1.0
  Li  Li1  1  0.390  0.282  0.776  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.610  0.718  0.224  1.0
  Li  Li4  1  0.794  0.074  0.586  1.0
  V  V5  1  0.700  0.898  0.894  1.0
  V  V6  1  0.300  0.102  0.106  1.0
  V  V7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.093  0.673  0.673  1.0
  Fe  Fe9  1  0.907  0.327  0.327  1.0
  O  O10  1  0.056  0.110  0.866  1.0
  O  O11  1  0.340  0.727  0.955  1.0
  O  O12  1  0.146  0.300  0.550  1.0
  O  O13  1  0.233  0.473  0.229  1.0
  O  O14  1  0.468  0.895  0.675  1.0
  O  O15  1  0.532  0.105  0.325  1.0
  O  O16  1  0.767  0.527  0.771  1.0
  O  O17  1  0.854  0.700  0.450  1.0
  O  O18  1  0.660  0.273  0.045  1.0
  O  O19  1  0.944  0.890  0.134  1.0
[/CIF]
.
The material described by Li5V3(FeO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-20°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(2), two equivalent V(1), and one Fe(1) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4VFe octahedra,  an edgeedge with one O(1)Li2V3Fe octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(2)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to two equivalent Li(2), one V(2), two equivalent V(1), and one Fe(1) atom to form OLi2V3Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(2)Li2V3Fe octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(1)Li2V3Fe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(2)Li2V3Fe octahedra,  an edgeedge with one O(2)Li2V3Fe octahedra, edges with two equivalent O(1)Li2V3Fe octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Fe(1) atom to form OLi3V2Fe octahedra that share  a cornercorner with one O(1)Li2V3Fe octahedra,  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(4)Li3V2Fe octahedra, edges with three equivalent O(1)Li2V3Fe octahedra, edges with three equivalent O(2)Li2V3Fe octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(1) atom to form OLi4VFe octahedra that share  a cornercorner with one O(2)Li2V3Fe octahedra,  a cornercorner with one O(4)Li3V2Fe octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(1)Li2V3Fe octahedra,  an edgeedge with one O(5)Li4VFe octahedra, edges with two equivalent O(1)Li2V3Fe octahedra, edges with two equivalent O(2)Li2V3Fe octahedra, edges with three equivalent O(4)Li3V2Fe octahedra, and edges with four equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. is represented by the CIF card [CIF]
data_Li5V3(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.242
_cell_length_c   7.939
_cell_angle_alpha   108.136
_cell_angle_beta   102.289
_cell_angle_gamma   100.714
_symmetry_Int_Tables_number   1
_cell_volume   189.893
_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  0.206  0.926  0.414  1.0
  Li  Li1  1  0.390  0.282  0.776  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.610  0.718  0.224  1.0
  Li  Li4  1  0.794  0.074  0.586  1.0
  V  V5  1  0.700  0.898  0.894  1.0
  V  V6  1  0.300  0.102  0.106  1.0
  V  V7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.093  0.673  0.673  1.0
  Fe  Fe9  1  0.907  0.327  0.327  1.0
  O  O10  1  0.056  0.110  0.866  1.0
  O  O11  1  0.340  0.727  0.955  1.0
  O  O12  1  0.146  0.300  0.550  1.0
  O  O13  1  0.233  0.473  0.229  1.0
  O  O14  1  0.468  0.895  0.675  1.0
  O  O15  1  0.532  0.105  0.325  1.0
  O  O16  1  0.767  0.527  0.771  1.0
  O  O17  1  0.854  0.700  0.450  1.0
  O  O18  1  0.660  0.273  0.045  1.0
  O  O19  1  0.944  0.890  0.134  1.0
[/CIF]
.