The material described by MgSm2Mo2(O15I4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(21), one O(23), one O(30), and one O(8) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(15), one O(17), one O(23), one O(27), one O(4), and one O(6) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(24), one O(28), one O(3), one O(5), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted octahedral geometry to one O(1), one O(13), one O(25), one O(27), one O(29), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(26), one O(28), one O(30), and one O(8) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(2) and one I(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sm(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sm(2) and one I(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sm(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one I(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Sm(1) and one I(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one I(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one I(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mo(2) and one I(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one I(6) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one I(2) and one I(7) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one I(1) and one I(8) atom. In the twenty-first O site, O(21) is bonded in an L-shaped geometry to one Mg(1) and one I(7) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one I(5) and one I(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sm(1), and one I(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(8) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one I(7) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted linear geometry to one Sm(1) and one Mo(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a single-bond geometry to one Mo(1) atom. In the thirtieth O site, O(30) is bonded in a water-like geometry to one Mg(1) and one Mo(2) atom. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(1), one O(20), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(19), one O(2), one O(4), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(11), one O(7), and one O(9) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(8) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one O(13), one O(15), one O(17), and one O(22) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(16), and one O(18) atom. In the seventh I site, I(7) is bonded in a distorted see-saw-like geometry to one O(19), one O(21), one O(23), and one O(25) atom. In the eighth I site, I(8) is bonded in a distorted trigonal non-coplanar geometry to one O(20), one O(22), and one O(24) atom. is represented by the CIF card [CIF]
data_Sm2MgMo2(I4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.141
_cell_length_b   7.168
_cell_length_c   14.548
_cell_angle_alpha   90.221
_cell_angle_beta   90.670
_cell_angle_gamma   113.779
_symmetry_Int_Tables_number   1
_cell_volume   681.408
_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  0.098  0.441  0.430  1.0
  Sm  Sm1  1  0.911  0.576  0.954  1.0
  Mg  Mg2  1  0.068  0.100  0.639  1.0
  Mo  Mo3  1  0.587  0.777  0.272  1.0
  Mo  Mo4  1  0.423  0.219  0.776  1.0
  I  I5  1  0.502  0.749  0.036  1.0
  I  I6  1  0.510  0.262  0.528  1.0
  I  I7  1  0.751  0.291  0.193  1.0
  I  I8  1  0.234  0.685  0.695  1.0
  I  I9  1  0.163  0.954  0.312  1.0
  I  I10  1  0.837  0.055  0.825  1.0
  I  I11  1  0.745  0.856  0.516  1.0
  I  I12  1  0.234  0.138  0.051  1.0
  O  O13  1  0.392  0.693  0.152  1.0
  O  O14  1  0.606  0.296  0.649  1.0
  O  O15  1  0.264  0.627  0.970  1.0
  O  O16  1  0.746  0.400  0.468  1.0
  O  O17  1  0.591  0.539  0.028  1.0
  O  O18  1  0.407  0.462  0.528  1.0
  O  O19  1  0.753  0.031  0.181  1.0
  O  O20  1  0.243  0.953  0.677  1.0
  O  O21  1  0.913  0.406  0.095  1.0
  O  O22  1  0.076  0.560  0.597  1.0
  O  O23  1  0.939  0.380  0.286  1.0
  O  O24  1  0.054  0.606  0.788  1.0
  O  O25  1  0.430  0.987  0.290  1.0
  O  O26  1  0.568  0.015  0.793  1.0
  O  O27  1  0.239  0.192  0.377  1.0
  O  O28  1  0.766  0.815  0.882  1.0
  O  O29  1  0.108  0.776  0.410  1.0
  O  O30  1  0.888  0.232  0.920  1.0
  O  O31  1  0.521  0.914  0.523  1.0
  O  O32  1  0.466  0.088  0.044  1.0
  O  O33  1  0.797  0.863  0.645  1.0
  O  O34  1  0.234  0.184  0.174  1.0
  O  O35  1  0.961  0.121  0.517  1.0
  O  O36  1  0.036  0.876  0.041  1.0
  O  O37  1  0.769  0.925  0.364  1.0
  O  O38  1  0.238  0.086  0.860  1.0
  O  O39  1  0.392  0.602  0.339  1.0
  O  O40  1  0.615  0.411  0.839  1.0
  O  O41  1  0.727  0.642  0.229  1.0
  O  O42  1  0.255  0.326  0.717  1.0
[/CIF]
.
The material described by MgSm2Mo2(O15I4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(21), one O(23), one O(30), and one O(8) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(15), one O(17), one O(23), one O(27), one O(4), and one O(6) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(12), one O(16), one O(18), one O(24), one O(28), one O(3), one O(5), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted octahedral geometry to one O(1), one O(13), one O(25), one O(27), one O(29), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(26), one O(28), one O(30), and one O(8) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(2) and one I(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sm(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sm(2) and one I(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sm(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one I(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Sm(1) and one I(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one I(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one I(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mo(2) and one I(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one I(6) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one I(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one I(2) and one I(7) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one I(1) and one I(8) atom. In the twenty-first O site, O(21) is bonded in an L-shaped geometry to one Mg(1) and one I(7) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one I(5) and one I(8) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sm(1), and one I(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Sm(2) and one I(8) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one I(7) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted linear geometry to one Sm(1) and one Mo(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Sm(2) and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a single-bond geometry to one Mo(1) atom. In the thirtieth O site, O(30) is bonded in a water-like geometry to one Mg(1) and one Mo(2) atom. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(1), one O(20), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(19), one O(2), one O(4), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(11), one O(7), and one O(9) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(8) atom. In the fifth I site, I(5) is bonded in a 3-coordinate geometry to one O(13), one O(15), one O(17), and one O(22) atom. In the sixth I site, I(6) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(16), and one O(18) atom. In the seventh I site, I(7) is bonded in a distorted see-saw-like geometry to one O(19), one O(21), one O(23), and one O(25) atom. In the eighth I site, I(8) is bonded in a distorted trigonal non-coplanar geometry to one O(20), one O(22), and one O(24) atom. is represented by the CIF card [CIF]
data_Sm2MgMo2(I4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.141
_cell_length_b   7.168
_cell_length_c   14.548
_cell_angle_alpha   90.221
_cell_angle_beta   90.670
_cell_angle_gamma   113.779
_symmetry_Int_Tables_number   1
_cell_volume   681.408
_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  0.098  0.441  0.430  1.0
  Sm  Sm1  1  0.911  0.576  0.954  1.0
  Mg  Mg2  1  0.068  0.100  0.639  1.0
  Mo  Mo3  1  0.587  0.777  0.272  1.0
  Mo  Mo4  1  0.423  0.219  0.776  1.0
  I  I5  1  0.502  0.749  0.036  1.0
  I  I6  1  0.510  0.262  0.528  1.0
  I  I7  1  0.751  0.291  0.193  1.0
  I  I8  1  0.234  0.685  0.695  1.0
  I  I9  1  0.163  0.954  0.312  1.0
  I  I10  1  0.837  0.055  0.825  1.0
  I  I11  1  0.745  0.856  0.516  1.0
  I  I12  1  0.234  0.138  0.051  1.0
  O  O13  1  0.392  0.693  0.152  1.0
  O  O14  1  0.606  0.296  0.649  1.0
  O  O15  1  0.264  0.627  0.970  1.0
  O  O16  1  0.746  0.400  0.468  1.0
  O  O17  1  0.591  0.539  0.028  1.0
  O  O18  1  0.407  0.462  0.528  1.0
  O  O19  1  0.753  0.031  0.181  1.0
  O  O20  1  0.243  0.953  0.677  1.0
  O  O21  1  0.913  0.406  0.095  1.0
  O  O22  1  0.076  0.560  0.597  1.0
  O  O23  1  0.939  0.380  0.286  1.0
  O  O24  1  0.054  0.606  0.788  1.0
  O  O25  1  0.430  0.987  0.290  1.0
  O  O26  1  0.568  0.015  0.793  1.0
  O  O27  1  0.239  0.192  0.377  1.0
  O  O28  1  0.766  0.815  0.882  1.0
  O  O29  1  0.108  0.776  0.410  1.0
  O  O30  1  0.888  0.232  0.920  1.0
  O  O31  1  0.521  0.914  0.523  1.0
  O  O32  1  0.466  0.088  0.044  1.0
  O  O33  1  0.797  0.863  0.645  1.0
  O  O34  1  0.234  0.184  0.174  1.0
  O  O35  1  0.961  0.121  0.517  1.0
  O  O36  1  0.036  0.876  0.041  1.0
  O  O37  1  0.769  0.925  0.364  1.0
  O  O38  1  0.238  0.086  0.860  1.0
  O  O39  1  0.392  0.602  0.339  1.0
  O  O40  1  0.615  0.411  0.839  1.0
  O  O41  1  0.727  0.642  0.229  1.0
  O  O42  1  0.255  0.326  0.717  1.0
[/CIF]
.