The compound described by MgV2Mn2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.662
_cell_length_c   6.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.356
_symmetry_Int_Tables_number   1
_cell_volume   184.168
_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  0.837  0.837  0.750  1.0
  Mn  Mn1  1  0.081  0.081  0.475  1.0
  Mn  Mn2  1  0.081  0.081  0.025  1.0
  V  V3  1  0.569  0.569  0.750  1.0
  V  V4  1  0.398  0.398  0.250  1.0
  O  O5  1  0.293  0.293  0.460  1.0
  O  O6  1  0.761  0.241  0.250  1.0
  O  O7  1  0.241  0.761  0.250  1.0
  O  O8  1  0.207  0.775  0.750  1.0
  O  O9  1  0.293  0.293  0.040  1.0
  O  O10  1  0.682  0.682  0.946  1.0
  O  O11  1  0.775  0.207  0.750  1.0
  O  O12  1  0.682  0.682  0.554  1.0
[/CIF]
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The compound described by MgV2Mn2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.662
_cell_length_c   6.609
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.356
_symmetry_Int_Tables_number   1
_cell_volume   184.168
_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  0.837  0.837  0.750  1.0
  Mn  Mn1  1  0.081  0.081  0.475  1.0
  Mn  Mn2  1  0.081  0.081  0.025  1.0
  V  V3  1  0.569  0.569  0.750  1.0
  V  V4  1  0.398  0.398  0.250  1.0
  O  O5  1  0.293  0.293  0.460  1.0
  O  O6  1  0.761  0.241  0.250  1.0
  O  O7  1  0.241  0.761  0.250  1.0
  O  O8  1  0.207  0.775  0.750  1.0
  O  O9  1  0.293  0.293  0.040  1.0
  O  O10  1  0.682  0.682  0.946  1.0
  O  O11  1  0.775  0.207  0.750  1.0
  O  O12  1  0.682  0.682  0.554  1.0
[/CIF]
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