The material described by LiV2Zn2(SiO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one Zn(1), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one Zn(1), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Zn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2Zn2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   7.259
_cell_length_c   8.088
_cell_angle_alpha   90.512
_cell_angle_beta   40.778
_cell_angle_gamma   106.680
_symmetry_Int_Tables_number   1
_cell_volume   189.415
_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  0.001  0.499  1.000  1.0
  V  V1  1  0.502  0.499  0.500  1.0
  V  V2  1  0.501  0.999  0.500  1.0
  Zn  Zn3  1  0.339  0.179  0.264  1.0
  Zn  Zn4  1  0.663  0.819  0.736  1.0
  Si  Si5  1  0.548  0.253  0.830  1.0
  Si  Si6  1  0.455  0.745  0.170  1.0
  O  O7  1  0.702  0.106  0.639  1.0
  O  O8  1  0.489  0.420  0.742  1.0
  O  O9  1  0.300  0.893  0.361  1.0
  O  O10  1  0.515  0.579  0.257  1.0
  O  O11  1  0.141  0.646  0.169  1.0
  O  O12  1  0.889  0.892  0.853  1.0
  O  O13  1  0.862  0.352  0.831  1.0
  O  O14  1  0.113  0.107  0.147  1.0
  O  O15  1  0.467  0.731  0.606  1.0
  O  O16  1  0.535  0.267  0.394  1.0
[/CIF]
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The material described by LiV2Zn2(SiO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one Zn(1), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one Zn(1), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Zn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2Zn2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   7.259
_cell_length_c   8.088
_cell_angle_alpha   90.512
_cell_angle_beta   40.778
_cell_angle_gamma   106.680
_symmetry_Int_Tables_number   1
_cell_volume   189.415
_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  0.001  0.499  1.000  1.0
  V  V1  1  0.502  0.499  0.500  1.0
  V  V2  1  0.501  0.999  0.500  1.0
  Zn  Zn3  1  0.339  0.179  0.264  1.0
  Zn  Zn4  1  0.663  0.819  0.736  1.0
  Si  Si5  1  0.548  0.253  0.830  1.0
  Si  Si6  1  0.455  0.745  0.170  1.0
  O  O7  1  0.702  0.106  0.639  1.0
  O  O8  1  0.489  0.420  0.742  1.0
  O  O9  1  0.300  0.893  0.361  1.0
  O  O10  1  0.515  0.579  0.257  1.0
  O  O11  1  0.141  0.646  0.169  1.0
  O  O12  1  0.889  0.892  0.853  1.0
  O  O13  1  0.862  0.352  0.831  1.0
  O  O14  1  0.113  0.107  0.147  1.0
  O  O15  1  0.467  0.731  0.606  1.0
  O  O16  1  0.535  0.267  0.394  1.0
[/CIF]
.