The compound described by MgMn2As2(PbO9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. As(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Pb(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1), one Pb(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one O(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. is represented by the CIF card [CIF]
data_MgMn2As2(PbO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.315
_cell_length_c   12.912
_cell_angle_alpha   99.986
_cell_angle_beta   100.574
_cell_angle_gamma   93.938
_symmetry_Int_Tables_number   1
_cell_volume   338.064
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.470  0.225  0.452  1.0
  Mn  Mn2  1  0.530  0.775  0.548  1.0
  As  As3  1  0.872  0.114  0.280  1.0
  As  As4  1  0.128  0.886  0.720  1.0
  Pb  Pb5  1  0.662  0.348  0.721  1.0
  Pb  Pb6  1  0.338  0.652  0.279  1.0
  O  O7  1  0.151  0.014  0.361  1.0
  O  O8  1  0.849  0.986  0.639  1.0
  O  O9  1  0.654  0.315  0.339  1.0
  O  O10  1  0.346  0.685  0.661  1.0
  O  O11  1  0.371  0.094  0.568  1.0
  O  O12  1  0.629  0.906  0.432  1.0
  O  O13  1  0.287  0.530  0.437  1.0
  O  O14  1  0.713  0.470  0.563  1.0
  O  O15  1  0.829  0.277  0.869  1.0
  O  O16  1  0.171  0.723  0.131  1.0
  O  O17  1  0.664  0.760  0.969  1.0
  O  O18  1  0.336  0.240  0.031  1.0
  O  O19  1  0.584  0.281  0.050  1.0
  O  O20  1  0.416  0.719  0.950  1.0
  O  O21  1  0.016  0.299  0.206  1.0
  O  O22  1  0.984  0.701  0.794  1.0
  O  O23  1  0.697  0.827  0.218  1.0
  O  O24  1  0.303  0.173  0.782  1.0
[/CIF]
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The compound described by MgMn2As2(PbO9)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. As(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Pb(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1), one Pb(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one O(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. is represented by the CIF card [CIF]
data_MgMn2As2(PbO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.116
_cell_length_b   5.315
_cell_length_c   12.912
_cell_angle_alpha   99.986
_cell_angle_beta   100.574
_cell_angle_gamma   93.938
_symmetry_Int_Tables_number   1
_cell_volume   338.064
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.470  0.225  0.452  1.0
  Mn  Mn2  1  0.530  0.775  0.548  1.0
  As  As3  1  0.872  0.114  0.280  1.0
  As  As4  1  0.128  0.886  0.720  1.0
  Pb  Pb5  1  0.662  0.348  0.721  1.0
  Pb  Pb6  1  0.338  0.652  0.279  1.0
  O  O7  1  0.151  0.014  0.361  1.0
  O  O8  1  0.849  0.986  0.639  1.0
  O  O9  1  0.654  0.315  0.339  1.0
  O  O10  1  0.346  0.685  0.661  1.0
  O  O11  1  0.371  0.094  0.568  1.0
  O  O12  1  0.629  0.906  0.432  1.0
  O  O13  1  0.287  0.530  0.437  1.0
  O  O14  1  0.713  0.470  0.563  1.0
  O  O15  1  0.829  0.277  0.869  1.0
  O  O16  1  0.171  0.723  0.131  1.0
  O  O17  1  0.664  0.760  0.969  1.0
  O  O18  1  0.336  0.240  0.031  1.0
  O  O19  1  0.584  0.281  0.050  1.0
  O  O20  1  0.416  0.719  0.950  1.0
  O  O21  1  0.016  0.299  0.206  1.0
  O  O22  1  0.984  0.701  0.794  1.0
  O  O23  1  0.697  0.827  0.218  1.0
  O  O24  1  0.303  0.173  0.782  1.0
[/CIF]
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