The material described by MgV5(MoO5)5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 pentagonal pyramid,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(2)O6 pentagonal pyramid. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(25), one O(3), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded to one O(10), one O(12), one O(14), one O(7), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(4)O6 octahedra and  a cornercorner with one Mo(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 8-36°. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(19) atom to form distorted VO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(3)O5 trigonal bipyramids, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. In the fifth V site, V(5) is bonded to one O(17), one O(18), one O(19), one O(20), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(4) atom to form distorted MoO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mo(2)O6 pentagonal pyramids,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-26°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MoO6 pentagonal pyramids that share corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-36°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(16), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(15), one O(16), one O(17), one O(18), and one O(21) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-29°. In the fifth Mo site, Mo(5) is bonded to one O(18), one O(20), one O(21), one O(22), one O(23), and one O(25) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are twenty-five 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(3) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(4), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(4), one Mo(3), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(4) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Mo(3) and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one Mo(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one V(5), one Mo(4), and one Mo(5) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one V(4) and one V(5) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one V(5) and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a distorted linear geometry to one Mo(4) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one V(5), one Mo(1), and one Mo(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one V(5) and one Mo(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted linear geometry to one V(1) and one Mo(5) atom. is represented by the CIF card [CIF]
data_MgV5(MoO5)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.057
_cell_length_b   5.491
_cell_length_c   6.437
_cell_angle_alpha   99.620
_cell_angle_beta   104.742
_cell_angle_gamma   47.098
_symmetry_Int_Tables_number   1
_cell_volume   477.152
_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  0.173  0.617  0.284  1.0
  V  V1  1  0.030  0.181  0.608  1.0
  V  V2  1  0.228  0.191  0.620  1.0
  V  V3  1  0.414  0.909  0.986  1.0
  V  V4  1  0.598  0.966  0.979  1.0
  V  V5  1  0.780  0.046  0.982  1.0
  Mo  Mo6  1  0.974  0.100  0.008  1.0
  Mo  Mo7  1  0.183  0.083  0.012  1.0
  Mo  Mo8  1  0.429  0.125  0.579  1.0
  Mo  Mo9  1  0.636  0.111  0.579  1.0
  Mo  Mo10  1  0.836  0.124  0.579  1.0
  O  O11  1  0.030  0.061  0.298  1.0
  O  O12  1  0.052  0.167  0.921  1.0
  O  O13  1  0.147  0.123  0.677  1.0
  O  O14  1  0.085  0.610  0.009  1.0
  O  O15  1  0.224  0.164  0.314  1.0
  O  O16  1  0.155  0.614  0.608  1.0
  O  O17  1  0.283  0.054  0.934  1.0
  O  O18  1  0.364  0.013  0.665  1.0
  O  O19  1  0.231  0.695  0.102  1.0
  O  O20  1  0.419  0.045  0.292  1.0
  O  O21  1  0.334  0.556  0.570  1.0
  O  O22  1  0.476  0.046  0.915  1.0
  O  O23  1  0.548  0.063  0.649  1.0
  O  O24  1  0.494  0.498  0.003  1.0
  O  O25  1  0.623  0.022  0.297  1.0
  O  O26  1  0.551  0.545  0.576  1.0
  O  O27  1  0.675  0.049  0.911  1.0
  O  O28  1  0.755  0.041  0.643  1.0
  O  O29  1  0.682  0.542  0.978  1.0
  O  O30  1  0.812  0.090  0.297  1.0
  O  O31  1  0.744  0.559  0.606  1.0
  O  O32  1  0.882  0.037  0.927  1.0
  O  O33  1  0.946  0.093  0.650  1.0
  O  O34  1  0.876  0.551  0.012  1.0
  O  O35  1  0.941  0.595  0.573  1.0
[/CIF]
.
The material described by MgV5(MoO5)5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 pentagonal pyramid,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(2)O6 pentagonal pyramid. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(25), one O(3), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded to one O(10), one O(12), one O(14), one O(7), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(4)O6 octahedra and  a cornercorner with one Mo(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 8-36°. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(19) atom to form distorted VO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(3)O5 trigonal bipyramids, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. In the fifth V site, V(5) is bonded to one O(17), one O(18), one O(19), one O(20), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(4) atom to form distorted MoO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mo(2)O6 pentagonal pyramids,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-26°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MoO6 pentagonal pyramids that share corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-36°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(16), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(15), one O(16), one O(17), one O(18), and one O(21) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-29°. In the fifth Mo site, Mo(5) is bonded to one O(18), one O(20), one O(21), one O(22), one O(23), and one O(25) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are twenty-five 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(3) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(4), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one V(4), one Mo(3), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one V(3) and one V(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(4) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Mo(3) and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one V(4), one V(5), and one Mo(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one V(5), one Mo(4), and one Mo(5) atom. In the nineteenth O site, O(19) is bonded in a linear geometry to one V(4) and one V(5) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one V(5) and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a distorted linear geometry to one Mo(4) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one V(5), one Mo(1), and one Mo(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one V(5) and one Mo(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted linear geometry to one V(1) and one Mo(5) atom. is represented by the CIF card [CIF]
data_MgV5(MoO5)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.057
_cell_length_b   5.491
_cell_length_c   6.437
_cell_angle_alpha   99.620
_cell_angle_beta   104.742
_cell_angle_gamma   47.098
_symmetry_Int_Tables_number   1
_cell_volume   477.152
_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  0.173  0.617  0.284  1.0
  V  V1  1  0.030  0.181  0.608  1.0
  V  V2  1  0.228  0.191  0.620  1.0
  V  V3  1  0.414  0.909  0.986  1.0
  V  V4  1  0.598  0.966  0.979  1.0
  V  V5  1  0.780  0.046  0.982  1.0
  Mo  Mo6  1  0.974  0.100  0.008  1.0
  Mo  Mo7  1  0.183  0.083  0.012  1.0
  Mo  Mo8  1  0.429  0.125  0.579  1.0
  Mo  Mo9  1  0.636  0.111  0.579  1.0
  Mo  Mo10  1  0.836  0.124  0.579  1.0
  O  O11  1  0.030  0.061  0.298  1.0
  O  O12  1  0.052  0.167  0.921  1.0
  O  O13  1  0.147  0.123  0.677  1.0
  O  O14  1  0.085  0.610  0.009  1.0
  O  O15  1  0.224  0.164  0.314  1.0
  O  O16  1  0.155  0.614  0.608  1.0
  O  O17  1  0.283  0.054  0.934  1.0
  O  O18  1  0.364  0.013  0.665  1.0
  O  O19  1  0.231  0.695  0.102  1.0
  O  O20  1  0.419  0.045  0.292  1.0
  O  O21  1  0.334  0.556  0.570  1.0
  O  O22  1  0.476  0.046  0.915  1.0
  O  O23  1  0.548  0.063  0.649  1.0
  O  O24  1  0.494  0.498  0.003  1.0
  O  O25  1  0.623  0.022  0.297  1.0
  O  O26  1  0.551  0.545  0.576  1.0
  O  O27  1  0.675  0.049  0.911  1.0
  O  O28  1  0.755  0.041  0.643  1.0
  O  O29  1  0.682  0.542  0.978  1.0
  O  O30  1  0.812  0.090  0.297  1.0
  O  O31  1  0.744  0.559  0.606  1.0
  O  O32  1  0.882  0.037  0.927  1.0
  O  O33  1  0.946  0.093  0.650  1.0
  O  O34  1  0.876  0.551  0.012  1.0
  O  O35  1  0.941  0.595  0.573  1.0
[/CIF]
.