The crystal structure described by CaV2Zn2(SiO5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(9) atom. 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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Zn(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. 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 V(1)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-53°. 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 V(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one V(1), one Zn(1), and one Si(2) atom to form distorted corner-sharing OCaVZnSi trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded to one Ca(1), one V(1), one V(2), and one Zn(2) atom to form distorted corner-sharing OCaV2Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_CaV2Zn2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.577
_cell_length_b   7.297
_cell_length_c   8.107
_cell_angle_alpha   91.313
_cell_angle_beta   46.377
_cell_angle_gamma   110.229
_symmetry_Int_Tables_number   1
_cell_volume   212.489
_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
  Ca  Ca0  1  0.104  0.788  0.963  1.0
  V  V1  1  0.443  0.487  0.538  1.0
  V  V2  1  0.635  0.042  0.430  1.0
  Zn  Zn3  1  0.474  0.270  0.203  1.0
  Zn  Zn4  1  0.828  0.774  0.642  1.0
  Si  Si5  1  0.557  0.280  0.832  1.0
  Si  Si6  1  0.377  0.711  0.195  1.0
  O  O7  1  0.601  0.113  0.690  1.0
  O  O8  1  0.523  0.463  0.751  1.0
  O  O9  1  0.364  0.886  0.333  1.0
  O  O10  1  0.440  0.544  0.280  1.0
  O  O11  1  0.015  0.623  0.246  1.0
  O  O12  1  0.761  0.825  0.905  1.0
  O  O13  1  0.877  0.371  0.831  1.0
  O  O14  1  0.173  0.148  0.130  1.0
  O  O15  1  0.524  0.773  0.582  1.0
  O  O16  1  0.457  0.232  0.444  1.0
[/CIF]
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The crystal structure described by CaV2Zn2(SiO5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(9) atom. 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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Zn(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(8), and one O(9) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. 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 V(1)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-53°. 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 V(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  a cornercorner with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), one V(1), one Zn(1), and one Si(2) atom to form distorted corner-sharing OCaVZnSi trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded to one Ca(1), one V(1), one V(2), and one Zn(2) atom to form distorted corner-sharing OCaV2Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_CaV2Zn2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.577
_cell_length_b   7.297
_cell_length_c   8.107
_cell_angle_alpha   91.313
_cell_angle_beta   46.377
_cell_angle_gamma   110.229
_symmetry_Int_Tables_number   1
_cell_volume   212.489
_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
  Ca  Ca0  1  0.104  0.788  0.963  1.0
  V  V1  1  0.443  0.487  0.538  1.0
  V  V2  1  0.635  0.042  0.430  1.0
  Zn  Zn3  1  0.474  0.270  0.203  1.0
  Zn  Zn4  1  0.828  0.774  0.642  1.0
  Si  Si5  1  0.557  0.280  0.832  1.0
  Si  Si6  1  0.377  0.711  0.195  1.0
  O  O7  1  0.601  0.113  0.690  1.0
  O  O8  1  0.523  0.463  0.751  1.0
  O  O9  1  0.364  0.886  0.333  1.0
  O  O10  1  0.440  0.544  0.280  1.0
  O  O11  1  0.015  0.623  0.246  1.0
  O  O12  1  0.761  0.825  0.905  1.0
  O  O13  1  0.877  0.371  0.831  1.0
  O  O14  1  0.173  0.148  0.130  1.0
  O  O15  1  0.524  0.773  0.582  1.0
  O  O16  1  0.457  0.232  0.444  1.0
[/CIF]
.