The crystal structure described by ScMn3(BiO3)4 crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OScMnBi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_ScMn3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.654
_cell_length_b   5.654
_cell_length_c   9.947
_cell_angle_alpha   73.564
_cell_angle_beta   73.566
_cell_angle_gamma   61.598
_symmetry_Int_Tables_number   1
_cell_volume   264.048
_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
  Sc  Sc0  1  0.775  0.225  0.750  1.0
  Mn  Mn1  1  0.210  0.790  0.250  1.0
  Mn  Mn2  1  0.996  0.494  0.999  1.0
  Mn  Mn3  1  0.506  0.004  0.501  1.0
  Bi  Bi4  1  0.929  0.355  0.372  1.0
  Bi  Bi5  1  0.645  0.071  0.128  1.0
  Bi  Bi6  1  0.084  0.653  0.620  1.0
  Bi  Bi7  1  0.347  0.916  0.880  1.0
  O  O8  1  0.571  0.713  0.130  1.0
  O  O9  1  0.287  0.429  0.370  1.0
  O  O10  1  0.408  0.275  0.879  1.0
  O  O11  1  0.725  0.592  0.621  1.0
  O  O12  1  0.808  0.900  0.336  1.0
  O  O13  1  0.100  0.192  0.164  1.0
  O  O14  1  0.212  0.102  0.665  1.0
  O  O15  1  0.898  0.788  0.835  1.0
  O  O16  1  0.913  0.257  0.921  1.0
  O  O17  1  0.743  0.087  0.579  1.0
  O  O18  1  0.068  0.725  0.083  1.0
  O  O19  1  0.275  0.932  0.417  1.0
[/CIF]
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The crystal structure described by ScMn3(BiO3)4 crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OScMnBi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_ScMn3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.654
_cell_length_b   5.654
_cell_length_c   9.947
_cell_angle_alpha   73.564
_cell_angle_beta   73.566
_cell_angle_gamma   61.598
_symmetry_Int_Tables_number   1
_cell_volume   264.048
_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
  Sc  Sc0  1  0.775  0.225  0.750  1.0
  Mn  Mn1  1  0.210  0.790  0.250  1.0
  Mn  Mn2  1  0.996  0.494  0.999  1.0
  Mn  Mn3  1  0.506  0.004  0.501  1.0
  Bi  Bi4  1  0.929  0.355  0.372  1.0
  Bi  Bi5  1  0.645  0.071  0.128  1.0
  Bi  Bi6  1  0.084  0.653  0.620  1.0
  Bi  Bi7  1  0.347  0.916  0.880  1.0
  O  O8  1  0.571  0.713  0.130  1.0
  O  O9  1  0.287  0.429  0.370  1.0
  O  O10  1  0.408  0.275  0.879  1.0
  O  O11  1  0.725  0.592  0.621  1.0
  O  O12  1  0.808  0.900  0.336  1.0
  O  O13  1  0.100  0.192  0.164  1.0
  O  O14  1  0.212  0.102  0.665  1.0
  O  O15  1  0.898  0.788  0.835  1.0
  O  O16  1  0.913  0.257  0.921  1.0
  O  O17  1  0.743  0.087  0.579  1.0
  O  O18  1  0.068  0.725  0.083  1.0
  O  O19  1  0.275  0.932  0.417  1.0
[/CIF]
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