The material described by Sr3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent Sr(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom to form distorted edge-sharing OSr3V tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   8.418
_cell_length_c   6.716
_cell_angle_alpha   51.707
_cell_angle_beta   51.897
_cell_angle_gamma   51.707
_symmetry_Int_Tables_number   1
_cell_volume   216.511
_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
  Sr  Sr0  1  0.765  0.872  0.765  1.0
  Sr  Sr1  1  0.224  0.181  0.224  1.0
  Sr  Sr2  1  0.097  0.824  0.097  1.0
  Mg  Mg3  1  0.861  0.349  0.861  1.0
  V  V4  1  0.539  0.654  0.539  1.0
  V  V5  1  0.439  0.358  0.439  1.0
  O  O6  1  0.693  0.350  0.693  1.0
  O  O7  1  0.192  0.851  0.666  1.0
  O  O8  1  0.666  0.851  0.192  1.0
  O  O9  1  0.379  0.624  0.379  1.0
  O  O10  1  0.798  0.191  0.269  1.0
  O  O11  1  0.265  0.423  0.265  1.0
  O  O12  1  0.698  0.666  0.698  1.0
  O  O13  1  0.269  0.191  0.798  1.0
[/CIF]
.
The material described by Sr3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent Sr(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom to form distorted edge-sharing OSr3V tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Sr3MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   8.418
_cell_length_c   6.716
_cell_angle_alpha   51.707
_cell_angle_beta   51.897
_cell_angle_gamma   51.707
_symmetry_Int_Tables_number   1
_cell_volume   216.511
_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
  Sr  Sr0  1  0.765  0.872  0.765  1.0
  Sr  Sr1  1  0.224  0.181  0.224  1.0
  Sr  Sr2  1  0.097  0.824  0.097  1.0
  Mg  Mg3  1  0.861  0.349  0.861  1.0
  V  V4  1  0.539  0.654  0.539  1.0
  V  V5  1  0.439  0.358  0.439  1.0
  O  O6  1  0.693  0.350  0.693  1.0
  O  O7  1  0.192  0.851  0.666  1.0
  O  O8  1  0.666  0.851  0.192  1.0
  O  O9  1  0.379  0.624  0.379  1.0
  O  O10  1  0.798  0.191  0.269  1.0
  O  O11  1  0.265  0.423  0.265  1.0
  O  O12  1  0.698  0.666  0.698  1.0
  O  O13  1  0.269  0.191  0.798  1.0
[/CIF]
.