The structure described by Ba10MgAs6(O12Cl)2 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(18), 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 3-coordinate geometry to one O(15), one O(17), and one O(2) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(11), one O(2), two equivalent O(10), two equivalent O(5), and two equivalent Cl(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(17), one O(9), two equivalent O(1), two equivalent O(13), and two equivalent Cl(1) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(15), one O(18), two equivalent O(16), two equivalent O(3), and two equivalent Cl(1) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(12), one O(7), two equivalent O(1), two equivalent O(10), and two equivalent Cl(1) atoms. In the seventh Ba site, Ba(7) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(13), two equivalent O(16), and two equivalent Cl(1) atoms. In the eighth Ba site, Ba(8) is bonded in a 8-coordinate geometry to one O(14), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent Cl(1) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(8) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(11), one O(15), and two equivalent O(13) atoms. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(1) atoms. In the third As site, As(3) is bonded in a tetrahedral geometry to one O(12), one O(14), and two equivalent O(16) atoms. In the fourth As site, As(4) is bonded in a tetrahedral geometry to one O(2), one O(9), and two equivalent O(3) atoms. In the fifth As site, As(5) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(5) atoms. In the sixth As site, As(6) is bonded in a tetrahedral geometry to one O(17), one O(18), and two equivalent O(10) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(6), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(2), and one As(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one As(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(8), one Mg(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(8), and one As(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(7), two equivalent Ba(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(6), two equivalent Ba(1), and one As(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(7), 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(4), two equivalent Ba(1), and one As(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(6), and one As(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one As(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ba(6), one Mg(1), and one As(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(8), two equivalent Ba(1), and one As(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(2), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), and one As(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one As(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(1), and one As(6) atom. Cl(1) is bonded to one Ba(3), one Ba(4), one Ba(5), one Ba(6), one Ba(7), and one Ba(8) atom to form face-sharing ClBa6 octahedra. is represented by the CIF card [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.774
_cell_length_c   8.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.076
_symmetry_Int_Tables_number   1
_cell_volume   835.271
_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  0.667  0.333  0.501  1.0
  Ba  Ba1  1  0.331  0.665  0.436  1.0
  Ba  Ba2  1  0.006  0.253  0.250  1.0
  Ba  Ba3  1  0.331  0.665  0.064  1.0
  Ba  Ba4  1  0.746  0.753  0.250  1.0
  Ba  Ba5  1  0.247  0.994  0.250  1.0
  Ba  Ba6  1  0.754  0.010  0.750  1.0
  Ba  Ba7  1  0.991  0.743  0.750  1.0
  Ba  Ba8  1  0.667  0.333  0.999  1.0
  Ba  Ba9  1  0.256  0.246  0.750  1.0
  Mg  Mg10  1  0.338  0.669  0.750  1.0
  As  As11  1  0.955  0.594  0.250  1.0
  As  As12  1  0.602  0.632  0.750  1.0
  As  As13  1  0.368  0.970  0.750  1.0
  As  As14  1  0.406  0.362  0.250  1.0
  As  As15  1  0.032  0.400  0.750  1.0
  As  As16  1  0.638  0.044  0.250  1.0
  Cl  Cl17  1  1.000  1.000  0.002  1.0
  Cl  Cl18  1  1.000  1.000  0.498  1.0
  O  O19  1  0.648  0.741  0.919  1.0
  O  O20  1  0.323  0.465  0.250  1.0
  O  O21  1  0.358  0.255  0.420  1.0
  O  O22  1  0.410  0.532  0.750  1.0
  O  O23  1  0.093  0.352  0.580  1.0
  O  O24  1  0.674  0.519  0.750  1.0
  O  O25  1  0.846  0.329  0.750  1.0
  O  O26  1  0.127  0.592  0.750  1.0
  O  O27  1  0.591  0.469  0.250  1.0
  O  O28  1  0.744  0.102  0.080  1.0
  O  O29  1  0.093  0.352  0.920  1.0
  O  O30  1  0.878  0.409  0.250  1.0
  O  O31  1  0.469  0.879  0.750  1.0
  O  O32  1  0.896  0.641  0.080  1.0
  O  O33  1  0.896  0.641  0.420  1.0
  O  O34  1  0.481  0.156  0.750  1.0
  O  O35  1  0.358  0.255  0.080  1.0
  O  O36  1  0.744  0.102  0.420  1.0
  O  O37  1  0.142  0.678  0.250  1.0
  O  O38  1  0.260  0.908  0.920  1.0
  O  O39  1  0.534  0.857  0.250  1.0
  O  O40  1  0.260  0.908  0.580  1.0
  O  O41  1  0.648  0.741  0.581  1.0
  O  O42  1  0.531  0.122  0.250  1.0
[/CIF]
.
The structure described by Ba10MgAs6(O12Cl)2 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(18), 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 3-coordinate geometry to one O(15), one O(17), and one O(2) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(11), one O(2), two equivalent O(10), two equivalent O(5), and two equivalent Cl(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(17), one O(9), two equivalent O(1), two equivalent O(13), and two equivalent Cl(1) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(15), one O(18), two equivalent O(16), two equivalent O(3), and two equivalent Cl(1) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(12), one O(7), two equivalent O(1), two equivalent O(10), and two equivalent Cl(1) atoms. In the seventh Ba site, Ba(7) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(13), two equivalent O(16), and two equivalent Cl(1) atoms. In the eighth Ba site, Ba(8) is bonded in a 8-coordinate geometry to one O(14), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent Cl(1) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(12), one O(4), and one O(8) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(11), one O(15), and two equivalent O(13) atoms. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(4), one O(6), and two equivalent O(1) atoms. In the third As site, As(3) is bonded in a tetrahedral geometry to one O(12), one O(14), and two equivalent O(16) atoms. In the fourth As site, As(4) is bonded in a tetrahedral geometry to one O(2), one O(9), and two equivalent O(3) atoms. In the fifth As site, As(5) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(5) atoms. In the sixth As site, As(6) is bonded in a tetrahedral geometry to one O(17), one O(18), and two equivalent O(10) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(6), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(2), and one As(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one As(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(8), one Mg(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(8), and one As(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(7), two equivalent Ba(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(6), two equivalent Ba(1), and one As(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(7), 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(4), two equivalent Ba(1), and one As(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(6), and one As(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one As(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ba(6), one Mg(1), and one As(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one As(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(8), two equivalent Ba(1), and one As(3) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(2), and one As(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), and one As(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one As(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ba(5), two equivalent Ba(1), and one As(6) atom. Cl(1) is bonded to one Ba(3), one Ba(4), one Ba(5), one Ba(6), one Ba(7), and one Ba(8) atom to form face-sharing ClBa6 octahedra. is represented by the CIF card [CIF]
data_Ba10MgAs6(ClO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.774
_cell_length_c   8.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.076
_symmetry_Int_Tables_number   1
_cell_volume   835.271
_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  0.667  0.333  0.501  1.0
  Ba  Ba1  1  0.331  0.665  0.436  1.0
  Ba  Ba2  1  0.006  0.253  0.250  1.0
  Ba  Ba3  1  0.331  0.665  0.064  1.0
  Ba  Ba4  1  0.746  0.753  0.250  1.0
  Ba  Ba5  1  0.247  0.994  0.250  1.0
  Ba  Ba6  1  0.754  0.010  0.750  1.0
  Ba  Ba7  1  0.991  0.743  0.750  1.0
  Ba  Ba8  1  0.667  0.333  0.999  1.0
  Ba  Ba9  1  0.256  0.246  0.750  1.0
  Mg  Mg10  1  0.338  0.669  0.750  1.0
  As  As11  1  0.955  0.594  0.250  1.0
  As  As12  1  0.602  0.632  0.750  1.0
  As  As13  1  0.368  0.970  0.750  1.0
  As  As14  1  0.406  0.362  0.250  1.0
  As  As15  1  0.032  0.400  0.750  1.0
  As  As16  1  0.638  0.044  0.250  1.0
  Cl  Cl17  1  1.000  1.000  0.002  1.0
  Cl  Cl18  1  1.000  1.000  0.498  1.0
  O  O19  1  0.648  0.741  0.919  1.0
  O  O20  1  0.323  0.465  0.250  1.0
  O  O21  1  0.358  0.255  0.420  1.0
  O  O22  1  0.410  0.532  0.750  1.0
  O  O23  1  0.093  0.352  0.580  1.0
  O  O24  1  0.674  0.519  0.750  1.0
  O  O25  1  0.846  0.329  0.750  1.0
  O  O26  1  0.127  0.592  0.750  1.0
  O  O27  1  0.591  0.469  0.250  1.0
  O  O28  1  0.744  0.102  0.080  1.0
  O  O29  1  0.093  0.352  0.920  1.0
  O  O30  1  0.878  0.409  0.250  1.0
  O  O31  1  0.469  0.879  0.750  1.0
  O  O32  1  0.896  0.641  0.080  1.0
  O  O33  1  0.896  0.641  0.420  1.0
  O  O34  1  0.481  0.156  0.750  1.0
  O  O35  1  0.358  0.255  0.080  1.0
  O  O36  1  0.744  0.102  0.420  1.0
  O  O37  1  0.142  0.678  0.250  1.0
  O  O38  1  0.260  0.908  0.920  1.0
  O  O39  1  0.534  0.857  0.250  1.0
  O  O40  1  0.260  0.908  0.580  1.0
  O  O41  1  0.648  0.741  0.581  1.0
  O  O42  1  0.531  0.122  0.250  1.0
[/CIF]
.