The compound described by Ba3MgV2O8 crystallizes in the triclinic P1 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(3), one O(4), one O(6), one O(7), one O(8), 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(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted MgO4 tetrahedra that share  an edgeedge with one V(1)O4 tetrahedra and  an edgeedge with one V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-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 distorted rectangular see-saw-like geometry to one Ba(1), one Ba(3), one Mg(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like 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 distorted L-shaped geometry to one Ba(1), one Ba(2), one Mg(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Ba(3), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(2), one Mg(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.899
_cell_length_c   7.888
_cell_angle_alpha   49.827
_cell_angle_beta   46.039
_cell_angle_gamma   45.986
_symmetry_Int_Tables_number   1
_cell_volume   242.264
_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  0.182  0.164  0.242  1.0
  Ba  Ba1  1  0.819  0.757  0.835  1.0
  Ba  Ba2  1  0.001  0.118  0.881  1.0
  Mg  Mg3  1  1.000  0.637  0.362  1.0
  V  V4  1  0.577  0.575  0.604  1.0
  V  V5  1  0.422  0.397  0.422  1.0
  O  O6  1  0.702  0.623  0.698  1.0
  O  O7  1  0.298  0.302  0.376  1.0
  O  O8  1  0.242  0.783  0.669  1.0
  O  O9  1  0.805  0.677  0.257  1.0
  O  O10  1  0.715  0.245  0.713  1.0
  O  O11  1  0.758  0.331  0.216  1.0
  O  O12  1  0.195  0.744  0.320  1.0
  O  O13  1  0.284  0.290  0.753  1.0
[/CIF]
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The compound described by Ba3MgV2O8 crystallizes in the triclinic P1 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(3), one O(4), one O(6), one O(7), one O(8), 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(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted MgO4 tetrahedra that share  an edgeedge with one V(1)O4 tetrahedra and  an edgeedge with one V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-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 distorted rectangular see-saw-like geometry to one Ba(1), one Ba(3), one Mg(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like 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 distorted L-shaped geometry to one Ba(1), one Ba(2), one Mg(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Ba(3), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Ba(1), one Ba(2), one Mg(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.899
_cell_length_c   7.888
_cell_angle_alpha   49.827
_cell_angle_beta   46.039
_cell_angle_gamma   45.986
_symmetry_Int_Tables_number   1
_cell_volume   242.264
_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  0.182  0.164  0.242  1.0
  Ba  Ba1  1  0.819  0.757  0.835  1.0
  Ba  Ba2  1  0.001  0.118  0.881  1.0
  Mg  Mg3  1  1.000  0.637  0.362  1.0
  V  V4  1  0.577  0.575  0.604  1.0
  V  V5  1  0.422  0.397  0.422  1.0
  O  O6  1  0.702  0.623  0.698  1.0
  O  O7  1  0.298  0.302  0.376  1.0
  O  O8  1  0.242  0.783  0.669  1.0
  O  O9  1  0.805  0.677  0.257  1.0
  O  O10  1  0.715  0.245  0.713  1.0
  O  O11  1  0.758  0.331  0.216  1.0
  O  O12  1  0.195  0.744  0.320  1.0
  O  O13  1  0.284  0.290  0.753  1.0
[/CIF]
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