The material described by MgSm2(BiO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MgO6 octahedra that share edges with two equivalent Bi(1)O6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2MgBi2 trigonal bipyramids that share corners with three equivalent O(3)Sm2MgBi2 trigonal bipyramids, edges with two equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(7)Sm2Bi2 tetrahedra, and  an edgeedge with one O(3)Sm2MgBi2 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2MgBi2 trigonal bipyramids that share corners with three equivalent O(2)Sm2MgBi2 trigonal bipyramids, edges with two equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(7)Sm2Bi2 tetrahedra, and  an edgeedge with one O(2)Sm2MgBi2 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2Bi2 tetrahedra that share corners with four equivalent O(7)Sm2Bi2 tetrahedra, edges with two equivalent O(2)Sm2MgBi2 trigonal bipyramids, and edges with two equivalent O(3)Sm2MgBi2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2Bi2 tetrahedra that share corners with four equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(2)Sm2MgBi2 trigonal bipyramids, and edges with two equivalent O(3)Sm2MgBi2 trigonal bipyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Sm2Mg(BiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   5.776
_cell_length_c   7.046
_cell_angle_alpha   70.215
_cell_angle_beta   71.217
_cell_angle_gamma   100.502
_symmetry_Int_Tables_number   1
_cell_volume   192.022
_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
  Sm  Sm0  1  0.371  0.122  0.760  1.0
  Sm  Sm1  1  0.626  0.879  0.248  1.0
  Mg  Mg2  1  0.676  0.429  0.148  1.0
  Bi  Bi3  1  0.077  0.329  0.348  1.0
  Bi  Bi4  1  0.912  0.663  0.679  1.0
  O  O5  1  0.605  0.272  0.935  1.0
  O  O6  1  0.332  0.090  0.406  1.0
  O  O7  1  0.762  0.509  0.406  1.0
  O  O8  1  0.979  0.252  0.106  1.0
  O  O9  1  0.962  0.798  0.934  1.0
  O  O10  1  0.219  0.454  0.568  1.0
  O  O11  1  0.714  0.982  0.568  1.0
  O  O12  1  0.416  0.648  0.107  1.0
[/CIF]
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The material described by MgSm2(BiO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MgO6 octahedra that share edges with two equivalent Bi(1)O6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2MgBi2 trigonal bipyramids that share corners with three equivalent O(3)Sm2MgBi2 trigonal bipyramids, edges with two equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(7)Sm2Bi2 tetrahedra, and  an edgeedge with one O(3)Sm2MgBi2 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2MgBi2 trigonal bipyramids that share corners with three equivalent O(2)Sm2MgBi2 trigonal bipyramids, edges with two equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(7)Sm2Bi2 tetrahedra, and  an edgeedge with one O(2)Sm2MgBi2 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2Bi2 tetrahedra that share corners with four equivalent O(7)Sm2Bi2 tetrahedra, edges with two equivalent O(2)Sm2MgBi2 trigonal bipyramids, and edges with two equivalent O(3)Sm2MgBi2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(2), one Bi(1), and one Bi(2) atom to form distorted OSm2Bi2 tetrahedra that share corners with four equivalent O(6)Sm2Bi2 tetrahedra, edges with two equivalent O(2)Sm2MgBi2 trigonal bipyramids, and edges with two equivalent O(3)Sm2MgBi2 trigonal bipyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Sm2Mg(BiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   5.776
_cell_length_c   7.046
_cell_angle_alpha   70.215
_cell_angle_beta   71.217
_cell_angle_gamma   100.502
_symmetry_Int_Tables_number   1
_cell_volume   192.022
_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
  Sm  Sm0  1  0.371  0.122  0.760  1.0
  Sm  Sm1  1  0.626  0.879  0.248  1.0
  Mg  Mg2  1  0.676  0.429  0.148  1.0
  Bi  Bi3  1  0.077  0.329  0.348  1.0
  Bi  Bi4  1  0.912  0.663  0.679  1.0
  O  O5  1  0.605  0.272  0.935  1.0
  O  O6  1  0.332  0.090  0.406  1.0
  O  O7  1  0.762  0.509  0.406  1.0
  O  O8  1  0.979  0.252  0.106  1.0
  O  O9  1  0.962  0.798  0.934  1.0
  O  O10  1  0.219  0.454  0.568  1.0
  O  O11  1  0.714  0.982  0.568  1.0
  O  O12  1  0.416  0.648  0.107  1.0
[/CIF]
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