The structure described by Ba3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(2), one Ba(3), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Ba(3), one Mg(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Mg(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one V(2) atom. is represented by the CIF card [CIF]
data_Ba3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   7.581
_cell_length_c   8.194
_cell_angle_alpha   48.120
_cell_angle_beta   43.606
_cell_angle_gamma   48.120
_symmetry_Int_Tables_number   1
_cell_volume   243.978
_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
  Ba  Ba0  1  0.199  0.226  0.199  1.0
  Ba  Ba1  1  0.856  0.720  0.856  1.0
  Ba  Ba2  1  0.943  0.086  0.943  1.0
  Mg  Mg3  1  0.553  0.018  0.553  1.0
  V  V4  1  0.603  0.564  0.603  1.0
  V  V5  1  0.375  0.478  0.375  1.0
  O  O6  1  0.691  0.657  0.691  1.0
  O  O7  1  0.360  0.249  0.360  1.0
  O  O8  1  0.260  0.701  0.753  1.0
  O  O9  1  0.753  0.701  0.260  1.0
  O  O10  1  0.728  0.219  0.728  1.0
  O  O11  1  0.718  0.298  0.264  1.0
  O  O12  1  0.245  0.810  0.245  1.0
  O  O13  1  0.264  0.298  0.718  1.0
[/CIF]
.
The structure described by Ba3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(2), one Ba(3), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Ba(3), one Mg(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Mg(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one V(2) atom. is represented by the CIF card [CIF]
data_Ba3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.194
_cell_length_b   7.581
_cell_length_c   8.194
_cell_angle_alpha   48.120
_cell_angle_beta   43.606
_cell_angle_gamma   48.120
_symmetry_Int_Tables_number   1
_cell_volume   243.978
_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
  Ba  Ba0  1  0.199  0.226  0.199  1.0
  Ba  Ba1  1  0.856  0.720  0.856  1.0
  Ba  Ba2  1  0.943  0.086  0.943  1.0
  Mg  Mg3  1  0.553  0.018  0.553  1.0
  V  V4  1  0.603  0.564  0.603  1.0
  V  V5  1  0.375  0.478  0.375  1.0
  O  O6  1  0.691  0.657  0.691  1.0
  O  O7  1  0.360  0.249  0.360  1.0
  O  O8  1  0.260  0.701  0.753  1.0
  O  O9  1  0.753  0.701  0.260  1.0
  O  O10  1  0.728  0.219  0.728  1.0
  O  O11  1  0.718  0.298  0.264  1.0
  O  O12  1  0.245  0.810  0.245  1.0
  O  O13  1  0.264  0.298  0.718  1.0
[/CIF]
.