The material described by Ba2MgMo4(Se2O11)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(16), one O(17), one O(18), one O(2), one O(20), one O(22), one O(3), one O(5), and one O(6) atom. Mg(1) is bonded in a distorted trigonal planar geometry to one O(11), one O(15), and one O(19) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(13), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mo site, Mo(2) is bonded in a distorted octahedral geometry to one O(10), one O(15), one O(16), one O(18), one O(22), and one O(9) atom. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(2), one O(20), one O(4), and one O(5) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(17), one O(21), one O(7), and one O(8) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(12), one O(13), and one O(8) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one O(17), one O(3), and one O(9) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one O(10), one O(19), and one O(4) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(18), one O(21), and one O(5) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2) and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one Mo(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(3), and one Se(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(3), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mo(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(3) and one Se(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Mo(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(2), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(4), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(2), and one Se(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Se(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Mo(4) and one Se(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(2) atom. is represented by the CIF file [CIF]
data_Ba2MgMo4(Se2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.121
_cell_length_b   8.058
_cell_length_c   9.214
_cell_angle_alpha   117.132
_cell_angle_beta   89.697
_cell_angle_gamma   89.836
_symmetry_Int_Tables_number   1
_cell_volume   536.575
_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  0.662  0.258  0.033  1.0
  Ba  Ba1  1  0.155  0.760  0.989  1.0
  Mg  Mg2  1  0.554  0.167  0.655  1.0
  Mo  Mo3  1  0.657  0.847  0.210  1.0
  Mo  Mo4  1  0.152  0.152  0.774  1.0
  Mo  Mo5  1  0.660  0.632  0.773  1.0
  Mo  Mo6  1  0.168  0.370  0.209  1.0
  Se  Se7  1  0.827  0.291  0.411  1.0
  Se  Se8  1  0.294  0.124  0.412  1.0
  Se  Se9  1  0.809  0.876  0.592  1.0
  Se  Se10  1  0.305  0.698  0.579  1.0
  O  O11  1  0.135  0.567  0.180  1.0
  O  O12  1  0.577  0.809  0.008  1.0
  O  O13  1  0.401  0.920  0.295  1.0
  O  O14  1  0.643  0.870  0.708  1.0
  O  O15  1  0.395  0.627  0.712  1.0
  O  O16  1  0.869  0.847  0.174  1.0
  O  O17  1  0.383  0.344  0.194  1.0
  O  O18  1  0.903  0.358  0.270  1.0
  O  O19  1  0.164  0.048  0.520  1.0
  O  O20  1  0.887  0.082  0.738  1.0
  O  O21  1  0.628  0.415  0.796  1.0
  O  O22  1  0.705  0.488  0.525  1.0
  O  O23  1  0.664  0.153  0.296  1.0
  O  O24  1  0.632  0.628  0.204  1.0
  O  O25  1  0.383  0.147  0.790  1.0
  O  O26  1  0.108  0.180  0.004  1.0
  O  O27  1  0.159  0.123  0.269  1.0
  O  O28  1  0.157  0.847  0.710  1.0
  O  O29  1  0.695  0.975  0.484  1.0
  O  O30  1  0.864  0.704  0.825  1.0
  O  O31  1  0.177  0.506  0.468  1.0
  O  O32  1  0.098  0.382  0.822  1.0
[/CIF]
.
The material described by Ba2MgMo4(Se2O11)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(4), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(16), one O(17), one O(18), one O(2), one O(20), one O(22), one O(3), one O(5), and one O(6) atom. Mg(1) is bonded in a distorted trigonal planar geometry to one O(11), one O(15), and one O(19) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(13), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mo site, Mo(2) is bonded in a distorted octahedral geometry to one O(10), one O(15), one O(16), one O(18), one O(22), and one O(9) atom. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(2), one O(20), one O(4), and one O(5) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(17), one O(21), one O(7), and one O(8) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(12), one O(13), and one O(8) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one O(17), one O(3), and one O(9) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one O(10), one O(19), and one O(4) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(18), one O(21), and one O(5) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2) and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one Mo(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(3), and one Se(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(3), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ba(1) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mo(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(3) and one Se(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mg(1), and one Mo(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(2), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(4), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(2), and one Se(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Se(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Mo(4) and one Se(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(2) atom. is represented by the CIF file [CIF]
data_Ba2MgMo4(Se2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.121
_cell_length_b   8.058
_cell_length_c   9.214
_cell_angle_alpha   117.132
_cell_angle_beta   89.697
_cell_angle_gamma   89.836
_symmetry_Int_Tables_number   1
_cell_volume   536.575
_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  0.662  0.258  0.033  1.0
  Ba  Ba1  1  0.155  0.760  0.989  1.0
  Mg  Mg2  1  0.554  0.167  0.655  1.0
  Mo  Mo3  1  0.657  0.847  0.210  1.0
  Mo  Mo4  1  0.152  0.152  0.774  1.0
  Mo  Mo5  1  0.660  0.632  0.773  1.0
  Mo  Mo6  1  0.168  0.370  0.209  1.0
  Se  Se7  1  0.827  0.291  0.411  1.0
  Se  Se8  1  0.294  0.124  0.412  1.0
  Se  Se9  1  0.809  0.876  0.592  1.0
  Se  Se10  1  0.305  0.698  0.579  1.0
  O  O11  1  0.135  0.567  0.180  1.0
  O  O12  1  0.577  0.809  0.008  1.0
  O  O13  1  0.401  0.920  0.295  1.0
  O  O14  1  0.643  0.870  0.708  1.0
  O  O15  1  0.395  0.627  0.712  1.0
  O  O16  1  0.869  0.847  0.174  1.0
  O  O17  1  0.383  0.344  0.194  1.0
  O  O18  1  0.903  0.358  0.270  1.0
  O  O19  1  0.164  0.048  0.520  1.0
  O  O20  1  0.887  0.082  0.738  1.0
  O  O21  1  0.628  0.415  0.796  1.0
  O  O22  1  0.705  0.488  0.525  1.0
  O  O23  1  0.664  0.153  0.296  1.0
  O  O24  1  0.632  0.628  0.204  1.0
  O  O25  1  0.383  0.147  0.790  1.0
  O  O26  1  0.108  0.180  0.004  1.0
  O  O27  1  0.159  0.123  0.269  1.0
  O  O28  1  0.157  0.847  0.710  1.0
  O  O29  1  0.695  0.975  0.484  1.0
  O  O30  1  0.864  0.704  0.825  1.0
  O  O31  1  0.177  0.506  0.468  1.0
  O  O32  1  0.098  0.382  0.822  1.0
[/CIF]
.