The material structure described by MgV(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. is represented by the CIF file [CIF]
data_MgV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   6.169
_cell_length_c   4.707
_cell_angle_alpha   118.591
_cell_angle_beta   61.823
_cell_angle_gamma   108.981
_symmetry_Int_Tables_number   1
_cell_volume   110.644
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.602  0.761  0.547  1.0
  C  C3  1  0.398  0.239  0.453  1.0
  O  O4  1  0.333  0.751  0.555  1.0
  O  O5  1  0.367  0.221  0.184  1.0
  O  O6  1  0.166  0.268  0.751  1.0
  O  O7  1  0.834  0.732  0.249  1.0
  O  O8  1  0.633  0.779  0.816  1.0
  O  O9  1  0.667  0.249  0.445  1.0
[/CIF]
.
The material structure described by MgV(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. is represented by the CIF file [CIF]
data_MgV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   6.169
_cell_length_c   4.707
_cell_angle_alpha   118.591
_cell_angle_beta   61.823
_cell_angle_gamma   108.981
_symmetry_Int_Tables_number   1
_cell_volume   110.644
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.602  0.761  0.547  1.0
  C  C3  1  0.398  0.239  0.453  1.0
  O  O4  1  0.333  0.751  0.555  1.0
  O  O5  1  0.367  0.221  0.184  1.0
  O  O6  1  0.166  0.268  0.751  1.0
  O  O7  1  0.834  0.732  0.249  1.0
  O  O8  1  0.633  0.779  0.816  1.0
  O  O9  1  0.667  0.249  0.445  1.0
[/CIF]
.