The compound described by MgSm4(Mo2O7)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(5); one O(8); and four O(3,3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Sm(2)O8 hexagonal bipyramids and faces with two equivalent Mo(1)O6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1); one O(4); one O(7); one O(8); two O(2,2); and two O(3,3) atoms. In the second Sm site, Sm(2) is bonded to one O(4); one O(5); one O(6); one O(7); two O(2,2); and two O(3,3) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Sm(2)O8 hexagonal bipyramids, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5); one O(6); two O(2,2); and two O(3,3) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, edges with four equivalent Sm(2)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1); one O(8); two O(2,2); and two O(3,3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Mo(2) atoms to form OSm2Mo2 tetrahedra that share corners with two equivalent O(7)Sm4 tetrahedra; corners with eight O(2,2)Sm2Mo2 tetrahedra; and  an edgeedge with one O(4)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(6)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Mo2 tetrahedra, and  an edgeedge with one O(4)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom. In the fourth O site, O(2) is bonded to one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(6)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Mo2 tetrahedra, and  an edgeedge with one O(4)Sm4 tetrahedra. In the fifth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with four equivalent O(7)Sm4 tetrahedra;  an edgeedge with one O(1)Sm2Mo2 tetrahedra;  an edgeedge with one O(6)Sm2Mo2 tetrahedra; and edges with four O(2,2)Sm2Mo2 tetrahedra. In the sixth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(2), and two equivalent Mo(1) atoms. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom. In the eighth O site, O(6) is bonded to two equivalent Sm(2) and two equivalent Mo(1) atoms to form OSm2Mo2 tetrahedra that share corners with two equivalent O(7)Sm4 tetrahedra; corners with eight O(2,2)Sm2Mo2 tetrahedra; and  an edgeedge with one O(4)Sm4 tetrahedra. In the ninth O site, O(7) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra; corners with two equivalent O(6)Sm2Mo2 tetrahedra; corners with four equivalent O(4)Sm4 tetrahedra; and corners with eight O(2,2)Sm2Mo2 tetrahedra. In the tenth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4Mg(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.630
_cell_length_c   7.604
_cell_angle_alpha   59.885
_cell_angle_beta   59.532
_cell_angle_gamma   59.895
_symmetry_Int_Tables_number   1
_cell_volume   310.274
_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  0.498  0.005  0.497  1.0
  Sm  Sm1  1  0.497  0.500  0.499  1.0
  Sm  Sm2  1  0.491  0.504  0.001  1.0
  Sm  Sm3  1  0.000  0.504  0.491  1.0
  Mg  Mg4  1  0.132  0.118  0.132  1.0
  Mo  Mo5  1  0.991  0.995  0.991  1.0
  Mo  Mo6  1  0.987  0.991  0.531  1.0
  Mo  Mo7  1  0.531  0.991  0.987  1.0
  Mo  Mo8  1  0.991  0.522  0.991  1.0
  O  O9  1  0.646  0.104  0.646  1.0
  O  O10  1  0.080  0.654  0.668  1.0
  O  O11  1  0.931  0.332  0.323  1.0
  O  O12  1  0.668  0.654  0.080  1.0
  O  O13  1  0.372  0.378  0.373  1.0
  O  O14  1  0.932  0.317  0.933  1.0
  O  O15  1  0.079  0.098  0.668  1.0
  O  O16  1  0.323  0.914  0.931  1.0
  O  O17  1  0.323  0.332  0.931  1.0
  O  O18  1  0.088  0.663  0.087  1.0
  O  O19  1  0.624  0.626  0.624  1.0
  O  O20  1  0.338  0.912  0.338  1.0
  O  O21  1  0.931  0.914  0.323  1.0
  O  O22  1  0.668  0.098  0.080  1.0
[/CIF]
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The compound described by MgSm4(Mo2O7)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(5); one O(8); and four O(3,3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Sm(2)O8 hexagonal bipyramids and faces with two equivalent Mo(1)O6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1); one O(4); one O(7); one O(8); two O(2,2); and two O(3,3) atoms. In the second Sm site, Sm(2) is bonded to one O(4); one O(5); one O(6); one O(7); two O(2,2); and two O(3,3) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Sm(2)O8 hexagonal bipyramids, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5); one O(6); two O(2,2); and two O(3,3) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, edges with four equivalent Sm(2)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1); one O(8); two O(2,2); and two O(3,3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Mo(2) atoms to form OSm2Mo2 tetrahedra that share corners with two equivalent O(7)Sm4 tetrahedra; corners with eight O(2,2)Sm2Mo2 tetrahedra; and  an edgeedge with one O(4)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(6)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Mo2 tetrahedra, and  an edgeedge with one O(4)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom. In the fourth O site, O(2) is bonded to one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(6)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Mo2 tetrahedra, and  an edgeedge with one O(4)Sm4 tetrahedra. In the fifth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with four equivalent O(7)Sm4 tetrahedra;  an edgeedge with one O(1)Sm2Mo2 tetrahedra;  an edgeedge with one O(6)Sm2Mo2 tetrahedra; and edges with four O(2,2)Sm2Mo2 tetrahedra. In the sixth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(2), and two equivalent Mo(1) atoms. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), one Mo(1), and one Mo(2) atom. In the eighth O site, O(6) is bonded to two equivalent Sm(2) and two equivalent Mo(1) atoms to form OSm2Mo2 tetrahedra that share corners with two equivalent O(7)Sm4 tetrahedra; corners with eight O(2,2)Sm2Mo2 tetrahedra; and  an edgeedge with one O(4)Sm4 tetrahedra. In the ninth O site, O(7) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra; corners with two equivalent O(6)Sm2Mo2 tetrahedra; corners with four equivalent O(4)Sm4 tetrahedra; and corners with eight O(2,2)Sm2Mo2 tetrahedra. In the tenth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4Mg(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.630
_cell_length_c   7.604
_cell_angle_alpha   59.885
_cell_angle_beta   59.532
_cell_angle_gamma   59.895
_symmetry_Int_Tables_number   1
_cell_volume   310.274
_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  0.498  0.005  0.497  1.0
  Sm  Sm1  1  0.497  0.500  0.499  1.0
  Sm  Sm2  1  0.491  0.504  0.001  1.0
  Sm  Sm3  1  0.000  0.504  0.491  1.0
  Mg  Mg4  1  0.132  0.118  0.132  1.0
  Mo  Mo5  1  0.991  0.995  0.991  1.0
  Mo  Mo6  1  0.987  0.991  0.531  1.0
  Mo  Mo7  1  0.531  0.991  0.987  1.0
  Mo  Mo8  1  0.991  0.522  0.991  1.0
  O  O9  1  0.646  0.104  0.646  1.0
  O  O10  1  0.080  0.654  0.668  1.0
  O  O11  1  0.931  0.332  0.323  1.0
  O  O12  1  0.668  0.654  0.080  1.0
  O  O13  1  0.372  0.378  0.373  1.0
  O  O14  1  0.932  0.317  0.933  1.0
  O  O15  1  0.079  0.098  0.668  1.0
  O  O16  1  0.323  0.914  0.931  1.0
  O  O17  1  0.323  0.332  0.931  1.0
  O  O18  1  0.088  0.663  0.087  1.0
  O  O19  1  0.624  0.626  0.624  1.0
  O  O20  1  0.338  0.912  0.338  1.0
  O  O21  1  0.931  0.914  0.323  1.0
  O  O22  1  0.668  0.098  0.080  1.0
[/CIF]
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