The material structure described by MgTaBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Ta(1)O4 tetrahedra and  an edgeedge with one Mg(1)O6 octahedra. Ta(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form TaO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OMg2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ta(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgTaBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   7.993
_cell_length_c   12.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.136
_symmetry_Int_Tables_number   1
_cell_volume   499.826
_cell_formula_units_Z   4
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  0.624  0.171  0.923  1.0
  Mg  Mg1  1  0.376  0.829  0.077  1.0
  Mg  Mg2  1  0.876  0.329  0.423  1.0
  Mg  Mg3  1  0.124  0.671  0.577  1.0
  Ta  Ta4  1  0.785  0.969  0.645  1.0
  Ta  Ta5  1  0.215  0.031  0.355  1.0
  Ta  Ta6  1  0.715  0.531  0.145  1.0
  Ta  Ta7  1  0.285  0.469  0.855  1.0
  Bi  Bi8  1  0.113  0.166  0.093  1.0
  Bi  Bi9  1  0.887  0.834  0.906  1.0
  Bi  Bi10  1  0.613  0.666  0.406  1.0
  Bi  Bi11  1  0.387  0.334  0.594  1.0
  O  O12  1  0.554  0.325  0.066  1.0
  O  O13  1  0.016  0.319  0.939  1.0
  O  O14  1  0.480  0.650  0.176  1.0
  O  O15  1  0.756  0.514  0.527  1.0
  O  O16  1  0.804  0.482  0.290  1.0
  O  O17  1  0.304  0.982  0.210  1.0
  O  O18  1  0.516  0.819  0.561  1.0
  O  O19  1  0.484  0.181  0.439  1.0
  O  O20  1  0.244  0.486  0.473  1.0
  O  O21  1  0.946  0.175  0.566  1.0
  O  O22  1  0.196  0.518  0.710  1.0
  O  O23  1  0.446  0.675  0.934  1.0
  O  O24  1  0.054  0.825  0.434  1.0
  O  O25  1  0.696  0.018  0.790  1.0
  O  O26  1  0.744  0.986  0.027  1.0
  O  O27  1  0.256  0.014  0.973  1.0
  O  O28  1  0.520  0.350  0.824  1.0
  O  O29  1  0.984  0.681  0.061  1.0
  O  O30  1  0.020  0.850  0.676  1.0
  O  O31  1  0.980  0.150  0.324  1.0
[/CIF]
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The material structure described by MgTaBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Ta(1)O4 tetrahedra and  an edgeedge with one Mg(1)O6 octahedra. Ta(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form TaO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OMg2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ta(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgTaBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.424
_cell_length_b   7.993
_cell_length_c   12.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.136
_symmetry_Int_Tables_number   1
_cell_volume   499.826
_cell_formula_units_Z   4
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  0.624  0.171  0.923  1.0
  Mg  Mg1  1  0.376  0.829  0.077  1.0
  Mg  Mg2  1  0.876  0.329  0.423  1.0
  Mg  Mg3  1  0.124  0.671  0.577  1.0
  Ta  Ta4  1  0.785  0.969  0.645  1.0
  Ta  Ta5  1  0.215  0.031  0.355  1.0
  Ta  Ta6  1  0.715  0.531  0.145  1.0
  Ta  Ta7  1  0.285  0.469  0.855  1.0
  Bi  Bi8  1  0.113  0.166  0.093  1.0
  Bi  Bi9  1  0.887  0.834  0.906  1.0
  Bi  Bi10  1  0.613  0.666  0.406  1.0
  Bi  Bi11  1  0.387  0.334  0.594  1.0
  O  O12  1  0.554  0.325  0.066  1.0
  O  O13  1  0.016  0.319  0.939  1.0
  O  O14  1  0.480  0.650  0.176  1.0
  O  O15  1  0.756  0.514  0.527  1.0
  O  O16  1  0.804  0.482  0.290  1.0
  O  O17  1  0.304  0.982  0.210  1.0
  O  O18  1  0.516  0.819  0.561  1.0
  O  O19  1  0.484  0.181  0.439  1.0
  O  O20  1  0.244  0.486  0.473  1.0
  O  O21  1  0.946  0.175  0.566  1.0
  O  O22  1  0.196  0.518  0.710  1.0
  O  O23  1  0.446  0.675  0.934  1.0
  O  O24  1  0.054  0.825  0.434  1.0
  O  O25  1  0.696  0.018  0.790  1.0
  O  O26  1  0.744  0.986  0.027  1.0
  O  O27  1  0.256  0.014  0.973  1.0
  O  O28  1  0.520  0.350  0.824  1.0
  O  O29  1  0.984  0.681  0.061  1.0
  O  O30  1  0.020  0.850  0.676  1.0
  O  O31  1  0.980  0.150  0.324  1.0
[/CIF]
.