The compound described by K2SmMoPO8 crystallizes in the orthorhombic Ibca space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Sm(1) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SmO8 hexagonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Sm(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. Mo(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form MoO4 tetrahedra that share corners with two equivalent Sm(1)O8 hexagonal bipyramids. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Sm(1)O8 hexagonal bipyramids and edges with two equivalent Sm(1)O8 hexagonal bipyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent Sm(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sm(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SmMoPO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.320
_cell_length_b   12.320
_cell_length_c   12.320
_cell_angle_alpha   146.510
_cell_angle_beta   119.128
_cell_angle_gamma   71.292
_symmetry_Int_Tables_number   1
_cell_volume   887.196
_cell_formula_units_Z   4
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
  K  K0  1  0.735  0.690  0.113  1.0
  K  K1  1  0.423  0.810  0.545  1.0
  K  K2  1  0.765  0.878  0.955  1.0
  K  K3  1  0.077  0.622  0.387  1.0
  K  K4  1  0.265  0.310  0.887  1.0
  K  K5  1  0.577  0.190  0.455  1.0
  K  K6  1  0.235  0.122  0.045  1.0
  K  K7  1  0.923  0.378  0.613  1.0
  Sm  Sm8  1  0.326  0.750  0.076  1.0
  Sm  Sm9  1  0.174  0.250  0.424  1.0
  Sm  Sm10  1  0.674  0.250  0.924  1.0
  Sm  Sm11  1  0.826  0.750  0.576  1.0
  Mo  Mo12  1  0.417  0.667  0.750  1.0
  Mo  Mo13  1  0.083  0.833  0.250  1.0
  Mo  Mo14  1  0.583  0.333  0.250  1.0
  Mo  Mo15  1  0.917  0.167  0.750  1.0
  P  P16  1  0.572  0.750  0.322  1.0
  P  P17  1  0.928  0.250  0.178  1.0
  P  P18  1  0.428  0.250  0.678  1.0
  P  P19  1  0.072  0.750  0.822  1.0
  O  O20  1  0.641  0.910  0.570  1.0
  O  O21  1  0.660  0.590  0.231  1.0
  O  O22  1  0.859  0.429  0.269  1.0
  O  O23  1  0.840  0.071  0.930  1.0
  O  O24  1  0.359  0.090  0.430  1.0
  O  O25  1  0.340  0.410  0.769  1.0
  O  O26  1  0.141  0.571  0.731  1.0
  O  O27  1  0.160  0.929  0.070  1.0
  O  O28  1  0.559  0.835  0.271  1.0
  O  O29  1  0.436  0.665  0.224  1.0
  O  O30  1  0.941  0.212  0.276  1.0
  O  O31  1  0.064  0.288  0.229  1.0
  O  O32  1  0.441  0.165  0.729  1.0
  O  O33  1  0.564  0.335  0.776  1.0
  O  O34  1  0.059  0.788  0.724  1.0
  O  O35  1  0.936  0.712  0.771  1.0
  O  O36  1  0.398  0.821  0.986  1.0
  O  O37  1  0.165  0.679  0.077  1.0
  O  O38  1  0.102  0.088  0.423  1.0
  O  O39  1  0.335  0.412  0.514  1.0
  O  O40  1  0.602  0.179  0.014  1.0
  O  O41  1  0.835  0.321  0.923  1.0
  O  O42  1  0.898  0.912  0.577  1.0
  O  O43  1  0.665  0.588  0.486  1.0
  O  O44  1  0.581  0.659  0.804  1.0
  O  O45  1  0.145  0.841  0.422  1.0
  O  O46  1  0.919  0.724  0.078  1.0
  O  O47  1  0.355  0.776  0.696  1.0
  O  O48  1  0.419  0.341  0.196  1.0
  O  O49  1  0.855  0.159  0.578  1.0
  O  O50  1  0.081  0.276  0.922  1.0
  O  O51  1  0.645  0.224  0.304  1.0
[/CIF]
.
The compound described by K2SmMoPO8 crystallizes in the orthorhombic Ibca space group. K(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Sm(1) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SmO8 hexagonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Sm(1)O8 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. Mo(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form MoO4 tetrahedra that share corners with two equivalent Sm(1)O8 hexagonal bipyramids. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Sm(1)O8 hexagonal bipyramids and edges with two equivalent Sm(1)O8 hexagonal bipyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent Sm(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sm(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Sm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2SmMoPO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.320
_cell_length_b   12.320
_cell_length_c   12.320
_cell_angle_alpha   146.510
_cell_angle_beta   119.128
_cell_angle_gamma   71.292
_symmetry_Int_Tables_number   1
_cell_volume   887.196
_cell_formula_units_Z   4
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
  K  K0  1  0.735  0.690  0.113  1.0
  K  K1  1  0.423  0.810  0.545  1.0
  K  K2  1  0.765  0.878  0.955  1.0
  K  K3  1  0.077  0.622  0.387  1.0
  K  K4  1  0.265  0.310  0.887  1.0
  K  K5  1  0.577  0.190  0.455  1.0
  K  K6  1  0.235  0.122  0.045  1.0
  K  K7  1  0.923  0.378  0.613  1.0
  Sm  Sm8  1  0.326  0.750  0.076  1.0
  Sm  Sm9  1  0.174  0.250  0.424  1.0
  Sm  Sm10  1  0.674  0.250  0.924  1.0
  Sm  Sm11  1  0.826  0.750  0.576  1.0
  Mo  Mo12  1  0.417  0.667  0.750  1.0
  Mo  Mo13  1  0.083  0.833  0.250  1.0
  Mo  Mo14  1  0.583  0.333  0.250  1.0
  Mo  Mo15  1  0.917  0.167  0.750  1.0
  P  P16  1  0.572  0.750  0.322  1.0
  P  P17  1  0.928  0.250  0.178  1.0
  P  P18  1  0.428  0.250  0.678  1.0
  P  P19  1  0.072  0.750  0.822  1.0
  O  O20  1  0.641  0.910  0.570  1.0
  O  O21  1  0.660  0.590  0.231  1.0
  O  O22  1  0.859  0.429  0.269  1.0
  O  O23  1  0.840  0.071  0.930  1.0
  O  O24  1  0.359  0.090  0.430  1.0
  O  O25  1  0.340  0.410  0.769  1.0
  O  O26  1  0.141  0.571  0.731  1.0
  O  O27  1  0.160  0.929  0.070  1.0
  O  O28  1  0.559  0.835  0.271  1.0
  O  O29  1  0.436  0.665  0.224  1.0
  O  O30  1  0.941  0.212  0.276  1.0
  O  O31  1  0.064  0.288  0.229  1.0
  O  O32  1  0.441  0.165  0.729  1.0
  O  O33  1  0.564  0.335  0.776  1.0
  O  O34  1  0.059  0.788  0.724  1.0
  O  O35  1  0.936  0.712  0.771  1.0
  O  O36  1  0.398  0.821  0.986  1.0
  O  O37  1  0.165  0.679  0.077  1.0
  O  O38  1  0.102  0.088  0.423  1.0
  O  O39  1  0.335  0.412  0.514  1.0
  O  O40  1  0.602  0.179  0.014  1.0
  O  O41  1  0.835  0.321  0.923  1.0
  O  O42  1  0.898  0.912  0.577  1.0
  O  O43  1  0.665  0.588  0.486  1.0
  O  O44  1  0.581  0.659  0.804  1.0
  O  O45  1  0.145  0.841  0.422  1.0
  O  O46  1  0.919  0.724  0.078  1.0
  O  O47  1  0.355  0.776  0.696  1.0
  O  O48  1  0.419  0.341  0.196  1.0
  O  O49  1  0.855  0.159  0.578  1.0
  O  O50  1  0.081  0.276  0.922  1.0
  O  O51  1  0.645  0.224  0.304  1.0
[/CIF]
.