The material structure described by Ba10MgAs6(O12Cl)2 crystallizes in the triclinic P-1 space group. There are five 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(12), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(5), one O(7), one O(8), one O(9), one Cl(1), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), one O(5), one O(9), one Cl(1), and one Cl(2) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(6), one O(8), one Cl(1), and one Cl(2) atom. Mg(1) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(9) atom. In the second As site, As(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third As site, As(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(4), one Ba(5), and one As(2) atom to form distorted OBa3As tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra and  an edgeedge with one Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one As(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), one Mg(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), and one As(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one As(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one As(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and one As(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), and one As(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), and one As(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), and one As(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form ClBa6 octahedra that share edges with two equivalent O(1)Ba3As tetrahedra and faces with two equivalent Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form ClBa6 octahedra that share corners with four equivalent O(1)Ba3As tetrahedra and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.828
_cell_length_b   11.138
_cell_length_c   7.756
_cell_angle_alpha   88.564
_cell_angle_beta   92.618
_cell_angle_gamma   120.312
_symmetry_Int_Tables_number   1
_cell_volume   806.743
_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  0.688  0.323  0.499  1.0
  Ba  Ba1  1  0.312  0.677  0.501  1.0
  Ba  Ba2  1  0.005  0.251  0.262  1.0
  Ba  Ba3  1  0.343  0.674  0.007  1.0
  Ba  Ba4  1  0.741  0.746  0.255  1.0
  Ba  Ba5  1  0.255  0.006  0.238  1.0
  Ba  Ba6  1  0.745  0.994  0.762  1.0
  Ba  Ba7  1  0.995  0.749  0.738  1.0
  Ba  Ba8  1  0.657  0.326  0.993  1.0
  Ba  Ba9  1  0.259  0.254  0.745  1.0
  Mg  Mg10  1  0.500  0.500  0.500  1.0
  As  As11  1  0.962  0.594  0.233  1.0
  As  As12  1  0.598  0.611  0.798  1.0
  As  As13  1  0.370  0.965  0.741  1.0
  As  As14  1  0.402  0.389  0.202  1.0
  As  As15  1  0.038  0.406  0.767  1.0
  As  As16  1  0.630  0.035  0.259  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  Cl  Cl18  1  0.000  0.000  0.500  1.0
  O  O19  1  0.624  0.747  0.943  1.0
  O  O20  1  0.417  0.562  0.295  1.0
  O  O21  1  0.324  0.295  0.396  1.0
  O  O22  1  0.414  0.544  0.724  1.0
  O  O23  1  0.090  0.359  0.585  1.0
  O  O24  1  0.583  0.438  0.705  1.0
  O  O25  1  0.854  0.322  0.773  1.0
  O  O26  1  0.112  0.585  0.759  1.0
  O  O27  1  0.586  0.456  0.276  1.0
  O  O28  1  0.738  0.087  0.084  1.0
  O  O29  1  0.114  0.368  0.945  1.0
  O  O30  1  0.888  0.415  0.241  1.0
  O  O31  1  0.463  0.876  0.751  1.0
  O  O32  1  0.886  0.632  0.055  1.0
  O  O33  1  0.910  0.641  0.415  1.0
  O  O34  1  0.482  0.141  0.730  1.0
  O  O35  1  0.376  0.253  0.057  1.0
  O  O36  1  0.745  0.099  0.440  1.0
  O  O37  1  0.146  0.678  0.227  1.0
  O  O38  1  0.262  0.913  0.916  1.0
  O  O39  1  0.518  0.859  0.270  1.0
  O  O40  1  0.255  0.901  0.560  1.0
  O  O41  1  0.676  0.705  0.604  1.0
  O  O42  1  0.537  0.124  0.249  1.0
[/CIF]
.
The material structure described by Ba10MgAs6(O12Cl)2 crystallizes in the triclinic P-1 space group. There are five 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(12), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(5), one O(7), one O(8), one O(9), one Cl(1), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), one O(5), one O(9), one Cl(1), and one Cl(2) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(6), one O(8), one Cl(1), and one Cl(2) atom. Mg(1) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(9) atom. In the second As site, As(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third As site, As(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(4), one Ba(5), and one As(2) atom to form distorted OBa3As tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra and  an edgeedge with one Cl(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 47-72°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one As(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), one Mg(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), and one As(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), and one As(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one As(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one As(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and one As(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), and one As(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), and one As(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), and one As(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form ClBa6 octahedra that share edges with two equivalent O(1)Ba3As tetrahedra and faces with two equivalent Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form ClBa6 octahedra that share corners with four equivalent O(1)Ba3As tetrahedra and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.828
_cell_length_b   11.138
_cell_length_c   7.756
_cell_angle_alpha   88.564
_cell_angle_beta   92.618
_cell_angle_gamma   120.312
_symmetry_Int_Tables_number   1
_cell_volume   806.743
_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  0.688  0.323  0.499  1.0
  Ba  Ba1  1  0.312  0.677  0.501  1.0
  Ba  Ba2  1  0.005  0.251  0.262  1.0
  Ba  Ba3  1  0.343  0.674  0.007  1.0
  Ba  Ba4  1  0.741  0.746  0.255  1.0
  Ba  Ba5  1  0.255  0.006  0.238  1.0
  Ba  Ba6  1  0.745  0.994  0.762  1.0
  Ba  Ba7  1  0.995  0.749  0.738  1.0
  Ba  Ba8  1  0.657  0.326  0.993  1.0
  Ba  Ba9  1  0.259  0.254  0.745  1.0
  Mg  Mg10  1  0.500  0.500  0.500  1.0
  As  As11  1  0.962  0.594  0.233  1.0
  As  As12  1  0.598  0.611  0.798  1.0
  As  As13  1  0.370  0.965  0.741  1.0
  As  As14  1  0.402  0.389  0.202  1.0
  As  As15  1  0.038  0.406  0.767  1.0
  As  As16  1  0.630  0.035  0.259  1.0
  Cl  Cl17  1  0.000  0.000  0.000  1.0
  Cl  Cl18  1  0.000  0.000  0.500  1.0
  O  O19  1  0.624  0.747  0.943  1.0
  O  O20  1  0.417  0.562  0.295  1.0
  O  O21  1  0.324  0.295  0.396  1.0
  O  O22  1  0.414  0.544  0.724  1.0
  O  O23  1  0.090  0.359  0.585  1.0
  O  O24  1  0.583  0.438  0.705  1.0
  O  O25  1  0.854  0.322  0.773  1.0
  O  O26  1  0.112  0.585  0.759  1.0
  O  O27  1  0.586  0.456  0.276  1.0
  O  O28  1  0.738  0.087  0.084  1.0
  O  O29  1  0.114  0.368  0.945  1.0
  O  O30  1  0.888  0.415  0.241  1.0
  O  O31  1  0.463  0.876  0.751  1.0
  O  O32  1  0.886  0.632  0.055  1.0
  O  O33  1  0.910  0.641  0.415  1.0
  O  O34  1  0.482  0.141  0.730  1.0
  O  O35  1  0.376  0.253  0.057  1.0
  O  O36  1  0.745  0.099  0.440  1.0
  O  O37  1  0.146  0.678  0.227  1.0
  O  O38  1  0.262  0.913  0.916  1.0
  O  O39  1  0.518  0.859  0.270  1.0
  O  O40  1  0.255  0.901  0.560  1.0
  O  O41  1  0.676  0.705  0.604  1.0
  O  O42  1  0.537  0.124  0.249  1.0
[/CIF]
.