The crystal structure described by MgV2Mn2(CuO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(2) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one O(6) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), two equivalent Mn(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_MgMn2V2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   5.935
_cell_length_c   6.345
_cell_angle_alpha   89.997
_cell_angle_beta   90.001
_cell_angle_gamma   120.477
_symmetry_Int_Tables_number   1
_cell_volume   193.472
_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  0.150  0.840  0.750  1.0
  Mn  Mn1  1  0.930  0.074  0.023  1.0
  Mn  Mn2  1  0.930  0.074  0.477  1.0
  V  V3  1  0.424  0.575  0.750  1.0
  V  V4  1  0.603  0.398  0.250  1.0
  Cu  Cu5  1  0.702  0.294  0.750  1.0
  Cu  Cu6  1  0.305  0.694  0.250  1.0
  O  O7  1  0.297  0.700  0.957  1.0
  O  O8  1  0.726  0.273  0.465  1.0
  O  O9  1  0.727  0.274  0.036  1.0
  O  O10  1  0.297  0.699  0.543  1.0
  O  O11  1  0.218  0.214  0.750  1.0
  O  O12  1  0.774  0.754  0.250  1.0
  O  O13  1  0.783  0.784  0.750  1.0
  O  O14  1  0.248  0.228  0.250  1.0
[/CIF]
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The crystal structure described by MgV2Mn2(CuO4)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted tetrahedral geometry to one O(3), one O(5), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(2) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one O(6) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), two equivalent Mn(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_MgMn2V2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   5.935
_cell_length_c   6.345
_cell_angle_alpha   89.997
_cell_angle_beta   90.001
_cell_angle_gamma   120.477
_symmetry_Int_Tables_number   1
_cell_volume   193.472
_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  0.150  0.840  0.750  1.0
  Mn  Mn1  1  0.930  0.074  0.023  1.0
  Mn  Mn2  1  0.930  0.074  0.477  1.0
  V  V3  1  0.424  0.575  0.750  1.0
  V  V4  1  0.603  0.398  0.250  1.0
  Cu  Cu5  1  0.702  0.294  0.750  1.0
  Cu  Cu6  1  0.305  0.694  0.250  1.0
  O  O7  1  0.297  0.700  0.957  1.0
  O  O8  1  0.726  0.273  0.465  1.0
  O  O9  1  0.727  0.274  0.036  1.0
  O  O10  1  0.297  0.699  0.543  1.0
  O  O11  1  0.218  0.214  0.750  1.0
  O  O12  1  0.774  0.754  0.250  1.0
  O  O13  1  0.783  0.784  0.750  1.0
  O  O14  1  0.248  0.228  0.250  1.0
[/CIF]
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