The structure described by Ca3Fe2(MoO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the second Mo site, Mo(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mo(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Mo(1), and one Fe(2) atom to form distorted OCa2FeMo trigonal pyramids that share corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(3)Ca2FeMo trigonal pyramid,  a cornercorner with one O(6)Ca2FeMo trigonal pyramid, corners with two equivalent O(7)Ca2FeMo trigonal pyramids,  an edgeedge with one O(11)Ca2FeMo tetrahedra,  an edgeedge with one O(4)Ca3FeMo trigonal bipyramid, and  an edgeedge with one O(6)Ca2FeMo trigonal pyramid. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Mo(2), and one Fe(1) atom to form distorted OCa2FeMo trigonal pyramids that share corners with three equivalent O(11)Ca2FeMo tetrahedra, corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(2)Ca2FeMo trigonal pyramid,  a cornercorner with one O(7)Ca2FeMo trigonal pyramid,  an edgeedge with one O(6)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(7)Ca2FeMo trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), one Mo(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OCa3FeMo trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mo(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Mo(1), and one Fe(2) atom to form distorted OCa2FeMo trigonal pyramids that share corners with three equivalent O(11)Ca2FeMo tetrahedra,  a cornercorner with one O(2)Ca2FeMo trigonal pyramid,  a cornercorner with one O(7)Ca2FeMo trigonal pyramid, edges with two equivalent O(4)Ca3FeMo trigonal bipyramids,  an edgeedge with one O(2)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(3)Ca2FeMo trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Mo(2), and one Fe(1) atom to form distorted OCa2FeMo trigonal pyramids that share corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(3)Ca2FeMo trigonal pyramid,  a cornercorner with one O(6)Ca2FeMo trigonal pyramid, corners with two equivalent O(2)Ca2FeMo trigonal pyramids,  an edgeedge with one O(11)Ca2FeMo tetrahedra, and  an edgeedge with one O(3)Ca2FeMo trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mo(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mo(1), and one Fe(1) atom to form distorted OCa2FeMo tetrahedra that share  a cornercorner with one O(4)Ca3FeMo trigonal bipyramid, corners with three equivalent O(3)Ca2FeMo trigonal pyramids, corners with three equivalent O(6)Ca2FeMo trigonal pyramids,  an edgeedge with one O(4)Ca3FeMo trigonal bipyramid,  an edgeedge with one O(2)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(7)Ca2FeMo trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Mo(2), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Fe2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.349
_cell_length_b   5.463
_cell_length_c   7.681
_cell_angle_alpha   89.634
_cell_angle_beta   89.776
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   224.443
_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
  Ca  Ca0  1  0.991  0.953  0.753  1.0
  Ca  Ca1  1  0.007  0.044  0.251  1.0
  Ca  Ca2  1  0.485  0.557  0.251  1.0
  Fe  Fe3  1  0.493  0.018  0.493  1.0
  Fe  Fe4  1  0.989  0.512  0.008  1.0
  Mo  Mo5  1  0.501  0.019  0.987  1.0
  Mo  Mo6  1  0.991  0.497  0.518  1.0
  O  O7  1  0.722  0.700  0.533  1.0
  O  O8  1  0.799  0.197  0.968  1.0
  O  O9  1  0.280  0.292  0.446  1.0
  O  O10  1  0.215  0.798  0.038  1.0
  O  O11  1  0.204  0.780  0.461  1.0
  O  O12  1  0.299  0.280  0.050  1.0
  O  O13  1  0.815  0.195  0.532  1.0
  O  O14  1  0.709  0.728  0.965  1.0
  O  O15  1  0.070  0.506  0.746  1.0
  O  O16  1  0.424  0.022  0.755  1.0
  O  O17  1  0.575  0.980  0.246  1.0
  O  O18  1  0.916  0.481  0.253  1.0
[/CIF]
.
The structure described by Ca3Fe2(MoO6)2 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the second Mo site, Mo(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-33°. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mo(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Mo(1), and one Fe(2) atom to form distorted OCa2FeMo trigonal pyramids that share corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(3)Ca2FeMo trigonal pyramid,  a cornercorner with one O(6)Ca2FeMo trigonal pyramid, corners with two equivalent O(7)Ca2FeMo trigonal pyramids,  an edgeedge with one O(11)Ca2FeMo tetrahedra,  an edgeedge with one O(4)Ca3FeMo trigonal bipyramid, and  an edgeedge with one O(6)Ca2FeMo trigonal pyramid. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Mo(2), and one Fe(1) atom to form distorted OCa2FeMo trigonal pyramids that share corners with three equivalent O(11)Ca2FeMo tetrahedra, corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(2)Ca2FeMo trigonal pyramid,  a cornercorner with one O(7)Ca2FeMo trigonal pyramid,  an edgeedge with one O(6)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(7)Ca2FeMo trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), one Ca(3), one Mo(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OCa3FeMo trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mo(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Mo(1), and one Fe(2) atom to form distorted OCa2FeMo trigonal pyramids that share corners with three equivalent O(11)Ca2FeMo tetrahedra,  a cornercorner with one O(2)Ca2FeMo trigonal pyramid,  a cornercorner with one O(7)Ca2FeMo trigonal pyramid, edges with two equivalent O(4)Ca3FeMo trigonal bipyramids,  an edgeedge with one O(2)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(3)Ca2FeMo trigonal pyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Mo(2), and one Fe(1) atom to form distorted OCa2FeMo trigonal pyramids that share corners with two equivalent O(4)Ca3FeMo trigonal bipyramids,  a cornercorner with one O(3)Ca2FeMo trigonal pyramid,  a cornercorner with one O(6)Ca2FeMo trigonal pyramid, corners with two equivalent O(2)Ca2FeMo trigonal pyramids,  an edgeedge with one O(11)Ca2FeMo tetrahedra, and  an edgeedge with one O(3)Ca2FeMo trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mo(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(1), one Mo(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mo(1), and one Fe(1) atom to form distorted OCa2FeMo tetrahedra that share  a cornercorner with one O(4)Ca3FeMo trigonal bipyramid, corners with three equivalent O(3)Ca2FeMo trigonal pyramids, corners with three equivalent O(6)Ca2FeMo trigonal pyramids,  an edgeedge with one O(4)Ca3FeMo trigonal bipyramid,  an edgeedge with one O(2)Ca2FeMo trigonal pyramid, and  an edgeedge with one O(7)Ca2FeMo trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Mo(2), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Fe2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.349
_cell_length_b   5.463
_cell_length_c   7.681
_cell_angle_alpha   89.634
_cell_angle_beta   89.776
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   224.443
_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
  Ca  Ca0  1  0.991  0.953  0.753  1.0
  Ca  Ca1  1  0.007  0.044  0.251  1.0
  Ca  Ca2  1  0.485  0.557  0.251  1.0
  Fe  Fe3  1  0.493  0.018  0.493  1.0
  Fe  Fe4  1  0.989  0.512  0.008  1.0
  Mo  Mo5  1  0.501  0.019  0.987  1.0
  Mo  Mo6  1  0.991  0.497  0.518  1.0
  O  O7  1  0.722  0.700  0.533  1.0
  O  O8  1  0.799  0.197  0.968  1.0
  O  O9  1  0.280  0.292  0.446  1.0
  O  O10  1  0.215  0.798  0.038  1.0
  O  O11  1  0.204  0.780  0.461  1.0
  O  O12  1  0.299  0.280  0.050  1.0
  O  O13  1  0.815  0.195  0.532  1.0
  O  O14  1  0.709  0.728  0.965  1.0
  O  O15  1  0.070  0.506  0.746  1.0
  O  O16  1  0.424  0.022  0.755  1.0
  O  O17  1  0.575  0.980  0.246  1.0
  O  O18  1  0.916  0.481  0.253  1.0
[/CIF]
.