The structure described by Ca2MoAlO5 crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. Mo(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-33°. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Al(1) atoms to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(4)Ca2Mo2 trigonal pyramids, and corners with two equivalent O(5)Ca2Mo2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(2), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mo(1) atoms to form distorted OCa2Mo2 trigonal pyramids that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(4)Ca2Mo2 trigonal pyramids, corners with four equivalent O(5)Ca2Mo2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Mo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), and two equivalent Mo(1) atoms to form distorted OCa2Mo2 trigonal pyramids that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(5)Ca2Mo2 trigonal pyramids, corners with four equivalent O(4)Ca2Mo2 trigonal pyramids, and  an edgeedge with one O(4)Ca2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2AlMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.259
_cell_length_c   5.654
_cell_angle_alpha   71.479
_cell_angle_beta   71.479
_cell_angle_gamma   42.108
_symmetry_Int_Tables_number   1
_cell_volume   243.143
_cell_formula_units_Z   2
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  0.656  0.075  0.922  1.0
  Ca  Ca1  1  0.921  0.348  0.582  1.0
  Ca  Ca2  1  0.348  0.921  0.082  1.0
  Ca  Ca3  1  0.075  0.656  0.422  1.0
  Al  Al4  1  0.334  0.671  0.707  1.0
  Al  Al5  1  0.671  0.334  0.207  1.0
  Mo  Mo6  1  0.500  0.002  0.504  1.0
  Mo  Mo7  1  0.002  0.500  0.004  1.0
  O  O8  1  0.423  0.584  0.395  1.0
  O  O9  1  0.584  0.423  0.895  1.0
  O  O10  1  0.725  0.074  0.328  1.0
  O  O11  1  0.273  0.930  0.686  1.0
  O  O12  1  0.074  0.725  0.828  1.0
  O  O13  1  0.930  0.273  0.186  1.0
  O  O14  1  0.795  0.670  0.703  1.0
  O  O15  1  0.332  0.207  0.804  1.0
  O  O16  1  0.207  0.332  0.304  1.0
  O  O17  1  0.670  0.795  0.203  1.0
[/CIF]
.
The structure described by Ca2MoAlO5 crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. Mo(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-33°. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Al(1) atoms to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(4)Ca2Mo2 trigonal pyramids, and corners with two equivalent O(5)Ca2Mo2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(2), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mo(1) atoms to form distorted OCa2Mo2 trigonal pyramids that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(4)Ca2Mo2 trigonal pyramids, corners with four equivalent O(5)Ca2Mo2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Mo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), and two equivalent Mo(1) atoms to form distorted OCa2Mo2 trigonal pyramids that share corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(5)Ca2Mo2 trigonal pyramids, corners with four equivalent O(4)Ca2Mo2 trigonal pyramids, and  an edgeedge with one O(4)Ca2Mo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2AlMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.259
_cell_length_b   8.259
_cell_length_c   5.654
_cell_angle_alpha   71.479
_cell_angle_beta   71.479
_cell_angle_gamma   42.108
_symmetry_Int_Tables_number   1
_cell_volume   243.143
_cell_formula_units_Z   2
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  0.656  0.075  0.922  1.0
  Ca  Ca1  1  0.921  0.348  0.582  1.0
  Ca  Ca2  1  0.348  0.921  0.082  1.0
  Ca  Ca3  1  0.075  0.656  0.422  1.0
  Al  Al4  1  0.334  0.671  0.707  1.0
  Al  Al5  1  0.671  0.334  0.207  1.0
  Mo  Mo6  1  0.500  0.002  0.504  1.0
  Mo  Mo7  1  0.002  0.500  0.004  1.0
  O  O8  1  0.423  0.584  0.395  1.0
  O  O9  1  0.584  0.423  0.895  1.0
  O  O10  1  0.725  0.074  0.328  1.0
  O  O11  1  0.273  0.930  0.686  1.0
  O  O12  1  0.074  0.725  0.828  1.0
  O  O13  1  0.930  0.273  0.186  1.0
  O  O14  1  0.795  0.670  0.703  1.0
  O  O15  1  0.332  0.207  0.804  1.0
  O  O16  1  0.207  0.332  0.304  1.0
  O  O17  1  0.670  0.795  0.203  1.0
[/CIF]
.