The material structure described by Ba10MgAs6(O12Cl)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(24), one O(3), one O(6), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(13), one O(19), one O(2), one O(21), one O(23), one O(4), and one O(5) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(18), one O(2), one O(5), one Cl(1), and one Cl(2) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(19), one O(2), one O(20), one O(21), and one O(4) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(14), one O(15), one O(21), one O(23), one O(9), one Cl(1), and one Cl(2) atom. In the sixth Ba site, Ba(6) is bonded in a 6-coordinate geometry to one O(17), one O(19), one O(20), one O(22), one O(24), one O(3), one Cl(1), and one Cl(2) atom. In the seventh Ba site, Ba(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(18), one O(23), one O(7), and one Cl(2) atom. In the eighth Ba site, Ba(8) is bonded in a 9-coordinate geometry to one O(1), one O(14), one O(15), one O(20), one O(22), one O(6), one O(8), one Cl(1), and one Cl(2) atom. In the ninth Ba site, Ba(9) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(17), one O(24), one O(6), one O(7), and one O(9) atom. In the tenth Ba site, Ba(10) is bonded in a 8-coordinate geometry to one O(11), one O(16), one O(17), one O(3), one O(4), one O(5), one Cl(1), and one Cl(2) atom. Mg(1) is bonded to one O(15), one O(19), one O(22), and one O(8) atom to form MgO4 tetrahedra that share  a cornercorner with one As(3)O4 tetrahedra and  a cornercorner with one As(5)O4 tetrahedra. There are six inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(14), and one O(15) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(23), one O(4), and one O(6) atom. In the third As site, As(3) is bonded to one O(13), one O(16), one O(20), and one O(22) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra. In the fourth As site, As(4) is bonded in a tetrahedral geometry to one O(17), one O(2), one O(3), and one O(9) atom. In the fifth As site, As(5) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra. In the sixth As site, As(6) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(21), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), one Ba(8), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and one As(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(10), one Ba(6), and one As(4) atom. In the fourth O site, O(4) is bonded to one Ba(10), one Ba(2), one Ba(4), and one As(2) atom to form distorted OBa3As trigonal pyramids that share  a cornercorner with one Cl(2)Ba6 octahedra and  a cornercorner with one Cl(1)Ba5 square pyramid. The corner-sharing octahedral tilt angles are 36°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(10), one Ba(2), one Ba(3), and one As(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(8), one Ba(9), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(7), one Ba(9), and one As(5) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(8), one Mg(1), and one As(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), one Ba(9), and one As(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(7), one Ba(9), and one As(6) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(10), one Ba(3), one Ba(4), and one As(5) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(3), one Ba(9), and one As(1) atom to form distorted OBa3As tetrahedra that share  a cornercorner with one Cl(2)Ba6 octahedra,  a cornercorner with one Cl(1)Ba5 square pyramid, and  an edgeedge with one O(14)Ba3As tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(7), and one As(3) atom. In the fourteenth O site, O(14) is bonded to one Ba(5), one Ba(8), one Ba(9), and one As(1) atom to form distorted OBa3As tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra,  an edgeedge with one Cl(1)Ba5 square pyramid, and  an edgeedge with one O(12)Ba3As tetrahedra. The corner-sharing octahedral tilt angles range from 29-62°. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Ba(5), one Ba(8), one Mg(1), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(10), one Ba(9), and one As(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(10), one Ba(6), one Ba(9), and one As(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(7), and one As(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(6), and one Mg(1) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Ba(8), and one As(3) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Ba(5), and one As(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Ba(6), one Ba(8), one Mg(1), and one As(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Ba(7), and one As(2) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(6), one Ba(9), and one As(6) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(10), one Ba(3), one Ba(5), one Ba(6), and one Ba(8) atom to form distorted ClBa5 square pyramids that share  a cornercorner with one O(12)Ba3As tetrahedra,  a cornercorner with one O(4)Ba3As trigonal pyramid,  an edgeedge with one Cl(2)Ba6 octahedra,  an edgeedge with one O(14)Ba3As tetrahedra, and  a faceface with one Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to one Ba(10), one Ba(3), one Ba(5), one Ba(6), one Ba(7), and one Ba(8) atom to form distorted ClBa6 octahedra that share  a cornercorner with one O(12)Ba3As tetrahedra, corners with two equivalent O(14)Ba3As tetrahedra,  a cornercorner with one O(4)Ba3As trigonal pyramid,  an edgeedge with one Cl(1)Ba5 square pyramid, and  a faceface with one Cl(1)Ba5 square pyramid. is represented by the CIF card [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   10.748
_cell_length_c   7.896
_cell_angle_alpha   90.137
_cell_angle_beta   89.261
_cell_angle_gamma   120.112
_symmetry_Int_Tables_number   1
_cell_volume   817.422
_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  0.652  0.315  0.497  1.0
  Ba  Ba1  1  0.386  0.652  0.490  1.0
  Ba  Ba2  1  0.996  0.265  0.255  1.0
  Ba  Ba3  1  0.309  0.670  0.025  1.0
  Ba  Ba4  1  0.760  0.751  0.252  1.0
  Ba  Ba5  1  0.253  0.990  0.257  1.0
  Ba  Ba6  1  0.736  0.004  0.745  1.0
  Ba  Ba7  1  0.956  0.759  0.791  1.0
  Ba  Ba8  1  0.655  0.324  0.002  1.0
  Ba  Ba9  1  0.256  0.255  0.756  1.0
  Mg  Mg10  1  0.127  0.708  0.497  1.0
  As  As11  1  0.966  0.581  0.193  1.0
  As  As12  1  0.610  0.626  0.756  1.0
  As  As13  1  0.350  0.955  0.758  1.0
  As  As14  1  0.399  0.363  0.246  1.0
  As  As15  1  0.026  0.414  0.738  1.0
  As  As16  1  0.634  0.025  0.241  1.0
  Cl  Cl17  1  0.015  0.021  0.027  1.0
  Cl  Cl18  1  0.989  0.010  0.528  1.0
  O  O19  1  0.703  0.754  0.907  1.0
  O  O20  1  0.315  0.460  0.234  1.0
  O  O21  1  0.348  0.256  0.427  1.0
  O  O22  1  0.433  0.539  0.791  1.0
  O  O23  1  0.104  0.373  0.574  1.0
  O  O24  1  0.671  0.507  0.737  1.0
  O  O25  1  0.847  0.316  0.737  1.0
  O  O26  1  0.084  0.598  0.713  1.0
  O  O27  1  0.578  0.468  0.261  1.0
  O  O28  1  0.739  0.102  0.064  1.0
  O  O29  1  0.094  0.391  0.923  1.0
  O  O30  1  0.850  0.400  0.261  1.0
  O  O31  1  0.444  0.867  0.735  1.0
  O  O32  1  0.853  0.609  0.060  1.0
  O  O33  1  0.960  0.682  0.380  1.0
  O  O34  1  0.459  0.138  0.749  1.0
  O  O35  1  0.368  0.255  0.071  1.0
  O  O36  1  0.736  0.089  0.419  1.0
  O  O37  1  0.253  0.734  0.319  1.0
  O  O38  1  0.255  0.894  0.944  1.0
  O  O39  1  0.557  0.841  0.229  1.0
  O  O40  1  0.222  0.905  0.606  1.0
  O  O41  1  0.648  0.727  0.572  1.0
  O  O42  1  0.525  0.097  0.250  1.0
[/CIF]
.
The material structure described by Ba10MgAs6(O12Cl)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(24), one O(3), one O(6), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(13), one O(19), one O(2), one O(21), one O(23), one O(4), and one O(5) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(18), one O(2), one O(5), one Cl(1), and one Cl(2) atom. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(19), one O(2), one O(20), one O(21), and one O(4) atom. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(1), one O(14), one O(15), one O(21), one O(23), one O(9), one Cl(1), and one Cl(2) atom. In the sixth Ba site, Ba(6) is bonded in a 6-coordinate geometry to one O(17), one O(19), one O(20), one O(22), one O(24), one O(3), one Cl(1), and one Cl(2) atom. In the seventh Ba site, Ba(7) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(18), one O(23), one O(7), and one Cl(2) atom. In the eighth Ba site, Ba(8) is bonded in a 9-coordinate geometry to one O(1), one O(14), one O(15), one O(20), one O(22), one O(6), one O(8), one Cl(1), and one Cl(2) atom. In the ninth Ba site, Ba(9) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(17), one O(24), one O(6), one O(7), and one O(9) atom. In the tenth Ba site, Ba(10) is bonded in a 8-coordinate geometry to one O(11), one O(16), one O(17), one O(3), one O(4), one O(5), one Cl(1), and one Cl(2) atom. Mg(1) is bonded to one O(15), one O(19), one O(22), and one O(8) atom to form MgO4 tetrahedra that share  a cornercorner with one As(3)O4 tetrahedra and  a cornercorner with one As(5)O4 tetrahedra. There are six inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(14), and one O(15) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(23), one O(4), and one O(6) atom. In the third As site, As(3) is bonded to one O(13), one O(16), one O(20), and one O(22) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra. In the fourth As site, As(4) is bonded in a tetrahedral geometry to one O(17), one O(2), one O(3), and one O(9) atom. In the fifth As site, As(5) is bonded to one O(11), one O(5), one O(7), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O4 tetrahedra. In the sixth As site, As(6) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(21), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), one Ba(8), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(4), and one As(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(10), one Ba(6), and one As(4) atom. In the fourth O site, O(4) is bonded to one Ba(10), one Ba(2), one Ba(4), and one As(2) atom to form distorted OBa3As trigonal pyramids that share  a cornercorner with one Cl(2)Ba6 octahedra and  a cornercorner with one Cl(1)Ba5 square pyramid. The corner-sharing octahedral tilt angles are 36°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(10), one Ba(2), one Ba(3), and one As(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(8), one Ba(9), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(7), one Ba(9), and one As(5) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(8), one Mg(1), and one As(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), one Ba(9), and one As(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(7), one Ba(9), and one As(6) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(10), one Ba(3), one Ba(4), and one As(5) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(3), one Ba(9), and one As(1) atom to form distorted OBa3As tetrahedra that share  a cornercorner with one Cl(2)Ba6 octahedra,  a cornercorner with one Cl(1)Ba5 square pyramid, and  an edgeedge with one O(14)Ba3As tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(7), and one As(3) atom. In the fourteenth O site, O(14) is bonded to one Ba(5), one Ba(8), one Ba(9), and one As(1) atom to form distorted OBa3As tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra,  an edgeedge with one Cl(1)Ba5 square pyramid, and  an edgeedge with one O(12)Ba3As tetrahedra. The corner-sharing octahedral tilt angles range from 29-62°. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one Ba(5), one Ba(8), one Mg(1), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(10), one Ba(9), and one As(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(10), one Ba(6), one Ba(9), and one As(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(7), and one As(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(6), and one Mg(1) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(6), one Ba(8), and one As(3) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Ba(5), and one As(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Ba(6), one Ba(8), one Mg(1), and one As(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Ba(7), and one As(2) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(6), one Ba(9), and one As(6) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ba(10), one Ba(3), one Ba(5), one Ba(6), and one Ba(8) atom to form distorted ClBa5 square pyramids that share  a cornercorner with one O(12)Ba3As tetrahedra,  a cornercorner with one O(4)Ba3As trigonal pyramid,  an edgeedge with one Cl(2)Ba6 octahedra,  an edgeedge with one O(14)Ba3As tetrahedra, and  a faceface with one Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to one Ba(10), one Ba(3), one Ba(5), one Ba(6), one Ba(7), and one Ba(8) atom to form distorted ClBa6 octahedra that share  a cornercorner with one O(12)Ba3As tetrahedra, corners with two equivalent O(14)Ba3As tetrahedra,  a cornercorner with one O(4)Ba3As trigonal pyramid,  an edgeedge with one Cl(1)Ba5 square pyramid, and  a faceface with one Cl(1)Ba5 square pyramid. is represented by the CIF card [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   10.748
_cell_length_c   7.896
_cell_angle_alpha   90.137
_cell_angle_beta   89.261
_cell_angle_gamma   120.112
_symmetry_Int_Tables_number   1
_cell_volume   817.422
_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  0.652  0.315  0.497  1.0
  Ba  Ba1  1  0.386  0.652  0.490  1.0
  Ba  Ba2  1  0.996  0.265  0.255  1.0
  Ba  Ba3  1  0.309  0.670  0.025  1.0
  Ba  Ba4  1  0.760  0.751  0.252  1.0
  Ba  Ba5  1  0.253  0.990  0.257  1.0
  Ba  Ba6  1  0.736  0.004  0.745  1.0
  Ba  Ba7  1  0.956  0.759  0.791  1.0
  Ba  Ba8  1  0.655  0.324  0.002  1.0
  Ba  Ba9  1  0.256  0.255  0.756  1.0
  Mg  Mg10  1  0.127  0.708  0.497  1.0
  As  As11  1  0.966  0.581  0.193  1.0
  As  As12  1  0.610  0.626  0.756  1.0
  As  As13  1  0.350  0.955  0.758  1.0
  As  As14  1  0.399  0.363  0.246  1.0
  As  As15  1  0.026  0.414  0.738  1.0
  As  As16  1  0.634  0.025  0.241  1.0
  Cl  Cl17  1  0.015  0.021  0.027  1.0
  Cl  Cl18  1  0.989  0.010  0.528  1.0
  O  O19  1  0.703  0.754  0.907  1.0
  O  O20  1  0.315  0.460  0.234  1.0
  O  O21  1  0.348  0.256  0.427  1.0
  O  O22  1  0.433  0.539  0.791  1.0
  O  O23  1  0.104  0.373  0.574  1.0
  O  O24  1  0.671  0.507  0.737  1.0
  O  O25  1  0.847  0.316  0.737  1.0
  O  O26  1  0.084  0.598  0.713  1.0
  O  O27  1  0.578  0.468  0.261  1.0
  O  O28  1  0.739  0.102  0.064  1.0
  O  O29  1  0.094  0.391  0.923  1.0
  O  O30  1  0.850  0.400  0.261  1.0
  O  O31  1  0.444  0.867  0.735  1.0
  O  O32  1  0.853  0.609  0.060  1.0
  O  O33  1  0.960  0.682  0.380  1.0
  O  O34  1  0.459  0.138  0.749  1.0
  O  O35  1  0.368  0.255  0.071  1.0
  O  O36  1  0.736  0.089  0.419  1.0
  O  O37  1  0.253  0.734  0.319  1.0
  O  O38  1  0.255  0.894  0.944  1.0
  O  O39  1  0.557  0.841  0.229  1.0
  O  O40  1  0.222  0.905  0.606  1.0
  O  O41  1  0.648  0.727  0.572  1.0
  O  O42  1  0.525  0.097  0.250  1.0
[/CIF]
.