The material described by MgBi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(1), and two equivalent O(9) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(10), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(8) atoms. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Bi(2), and one Bi(3) atom to form corner-sharing OMg2Bi2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1), one Bi(1), and one Bi(4) atom to form corner-sharing OMg2Bi2 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Bi(1), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(4) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(2) and two equivalent Bi(3) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(2) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_MgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.676
_cell_length_b   5.179
_cell_length_c   12.841
_cell_angle_alpha   90.496
_cell_angle_beta   90.136
_cell_angle_gamma   90.397
_symmetry_Int_Tables_number   1
_cell_volume   244.427
_cell_formula_units_Z   2
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  0.819  0.193  0.732  1.0
  Mg  Mg1  1  0.316  0.807  0.225  1.0
  Bi  Bi2  1  0.318  0.708  0.895  1.0
  Bi  Bi3  1  0.804  0.348  0.110  1.0
  Bi  Bi4  1  0.800  0.299  0.389  1.0
  Bi  Bi5  1  0.322  0.642  0.612  1.0
  O  O6  1  0.808  0.570  0.259  1.0
  O  O7  1  0.317  0.437  0.762  1.0
  O  O8  1  0.803  0.407  0.948  1.0
  O  O9  1  0.305  0.549  0.102  1.0
  O  O10  1  0.819  0.439  0.604  1.0
  O  O11  1  0.317  0.592  0.449  1.0
  O  O12  1  0.327  0.027  0.643  1.0
  O  O13  1  0.305  0.136  0.304  1.0
  O  O14  1  0.806  0.960  0.134  1.0
  O  O15  1  0.814  0.876  0.814  1.0
[/CIF]
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The material described by MgBi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(1), and two equivalent O(9) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(10), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(1), one O(3), one O(9), and two equivalent O(4) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(8) atoms. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(2), one Bi(2), and one Bi(3) atom to form corner-sharing OMg2Bi2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1), one Bi(1), and one Bi(4) atom to form corner-sharing OMg2Bi2 tetrahedra. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one Bi(1), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(4) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(2) and two equivalent Bi(3) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(2) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_MgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.676
_cell_length_b   5.179
_cell_length_c   12.841
_cell_angle_alpha   90.496
_cell_angle_beta   90.136
_cell_angle_gamma   90.397
_symmetry_Int_Tables_number   1
_cell_volume   244.427
_cell_formula_units_Z   2
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  0.819  0.193  0.732  1.0
  Mg  Mg1  1  0.316  0.807  0.225  1.0
  Bi  Bi2  1  0.318  0.708  0.895  1.0
  Bi  Bi3  1  0.804  0.348  0.110  1.0
  Bi  Bi4  1  0.800  0.299  0.389  1.0
  Bi  Bi5  1  0.322  0.642  0.612  1.0
  O  O6  1  0.808  0.570  0.259  1.0
  O  O7  1  0.317  0.437  0.762  1.0
  O  O8  1  0.803  0.407  0.948  1.0
  O  O9  1  0.305  0.549  0.102  1.0
  O  O10  1  0.819  0.439  0.604  1.0
  O  O11  1  0.317  0.592  0.449  1.0
  O  O12  1  0.327  0.027  0.643  1.0
  O  O13  1  0.305  0.136  0.304  1.0
  O  O14  1  0.806  0.960  0.134  1.0
  O  O15  1  0.814  0.876  0.814  1.0
[/CIF]
.