The material structure described by CaMg6V is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form CaMg10V2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10V2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent V(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Mg(4)Mg10V2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Ca(1)Mg10V2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(4)Mg10V2 cuboctahedra, edges with four equivalent V(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(4)Mg10V2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent V(1)Ca2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra, corners with four equivalent V(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(4)Mg10V2 cuboctahedra, edges with two equivalent V(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form MgMg10V2 cuboctahedra that share corners with four equivalent V(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10V2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent V(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Ca(1)Mg10V2 cuboctahedra. V(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form VCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra, corners with six equivalent V(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(4)Mg10V2 cuboctahedra, edges with four equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg6V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   6.502
_cell_length_c   6.502
_cell_angle_alpha   119.934
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.226
_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  0.000  0.171  0.829  1.0
  Mg  Mg1  1  0.000  0.655  0.824  1.0
  Mg  Mg2  1  0.000  0.176  0.345  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.826  0.663  1.0
  Mg  Mg5  1  0.500  0.337  0.174  1.0
  Mg  Mg6  1  0.500  0.834  0.166  1.0
  V  V7  1  0.500  0.337  0.663  1.0
[/CIF]
.
The material structure described by CaMg6V is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form CaMg10V2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10V2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent V(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Mg(4)Mg10V2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Ca(1)Mg10V2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(4)Mg10V2 cuboctahedra, edges with four equivalent V(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with two equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, edges with four equivalent Mg(4)Mg10V2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent V(1)Ca2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra, corners with four equivalent V(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(4)Mg10V2 cuboctahedra, edges with two equivalent V(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form MgMg10V2 cuboctahedra that share corners with four equivalent V(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10V2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent V(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Ca(1)Mg10V2 cuboctahedra. V(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form VCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra, corners with six equivalent V(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with two equivalent Mg(4)Mg10V2 cuboctahedra, edges with four equivalent Ca(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with two equivalent Ca(1)Mg10V2 cuboctahedra, faces with two equivalent Mg(4)Mg10V2 cuboctahedra, faces with two equivalent V(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8V2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8V2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg6V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   6.502
_cell_length_c   6.502
_cell_angle_alpha   119.934
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.226
_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  0.000  0.171  0.829  1.0
  Mg  Mg1  1  0.000  0.655  0.824  1.0
  Mg  Mg2  1  0.000  0.176  0.345  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.826  0.663  1.0
  Mg  Mg5  1  0.500  0.337  0.174  1.0
  Mg  Mg6  1  0.500  0.834  0.166  1.0
  V  V7  1  0.500  0.337  0.663  1.0
[/CIF]
.