The structure described by Ca(MoO2)2 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mo(10)O6 octahedra,  a cornercorner with one Mo(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mo(7)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Mo(11)O4 tetrahedra, corners with three equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mo(10)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(7)O6 octahedra, and  an edgeedge with one Mo(8)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Mo(5)O6 octahedra, and edges with two equivalent Mo(7)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(10)O6 octahedra, and edges with two equivalent Mo(8)O6 octahedra. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form MoO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-66°. In the third Mo site, Mo(3) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mo(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(10)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Mo(8)O6 octahedra. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. In the fifth Mo site, Mo(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mo(7)O6 octahedra. In the sixth Mo site, Mo(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra,  a cornercorner with one Mo(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-77°. In the seventh Mo site, Mo(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. In the eighth Mo site, Mo(8) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form MoO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mo(10)O6 octahedra. In the ninth Mo site, Mo(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra,  a cornercorner with one Mo(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the tenth Mo site, Mo(10) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form MoO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mo(8)O6 octahedra. In the eleventh Mo site, Mo(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mo(10)O6 octahedra,  a cornercorner with one Mo(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-76°. In the twelfth Mo site, Mo(12) is bonded to one O(10), one O(21), one O(22), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(3), one Mo(1), and one Mo(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Mo(1), one Mo(2), and one Mo(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(3), one Mo(3), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Mo(1), one Mo(3), and one Mo(4) atom to form distorted corner-sharing OCaMo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mo(2), and one Mo(5) atom. In the sixth O site, O(6) is bonded to one Ca(2), one Mo(1), one Mo(4), and one Mo(9) atom to form corner-sharing OCaMo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal pyramidal geometry to one Ca(5), one Mo(5), one Mo(6), and one Mo(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mo(4), and one Mo(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mo(2), and one Mo(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Mo(1), one Mo(12), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mo(2), one Mo(5), and one Mo(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mo(1), and one Mo(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mo(6), and one Mo(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mo(11), one Mo(5), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mo(11), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mo(10), and one Mo(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(6), one Mo(10), and one Mo(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mo(5), one Mo(7), and one Mo(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mo(10), one Mo(6), and one Mo(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mo(11), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Mo(10), one Mo(12), one Mo(3), and one Mo(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mo(10), one Mo(12), and one Mo(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal pyramidal geometry to one Ca(6), one Mo(10), one Mo(11), and one Mo(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mo(12), one Mo(3), and one Mo(8) atom. is represented by the CIF file [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.537
_cell_length_c   16.139
_cell_angle_alpha   91.245
_cell_angle_beta   91.860
_cell_angle_gamma   119.351
_symmetry_Int_Tables_number   1
_cell_volume   591.675
_cell_formula_units_Z   6
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  0.168  0.345  0.045  1.0
  Ca  Ca1  1  0.838  0.666  0.330  1.0
  Ca  Ca2  1  0.168  0.850  0.167  1.0
  Ca  Ca3  1  0.169  0.332  0.667  1.0
  Ca  Ca4  1  0.516  0.489  0.500  1.0
  Ca  Ca5  1  0.815  0.162  0.832  1.0
  Mo  Mo6  1  0.669  0.846  0.166  1.0
  Mo  Mo7  1  0.501  0.969  0.371  1.0
  Mo  Mo8  1  0.491  0.998  0.004  1.0
  Mo  Mo9  1  0.667  0.340  0.165  1.0
  Mo  Mo10  1  0.012  0.498  0.497  1.0
  Mo  Mo11  1  0.812  0.681  0.700  1.0
  Mo  Mo12  1  0.023  0.006  0.500  1.0
  Mo  Mo13  1  0.317  0.160  0.836  1.0
  Mo  Mo14  1  0.177  0.361  0.296  1.0
  Mo  Mo15  1  0.307  0.650  0.834  1.0
  Mo  Mo16  1  0.526  0.981  0.628  1.0
  Mo  Mo17  1  0.813  0.659  0.956  1.0
  O  O18  1  0.366  0.719  0.083  1.0
  O  O19  1  0.536  0.031  0.245  1.0
  O  O20  1  0.358  0.158  0.084  1.0
  O  O21  1  0.792  0.148  0.090  1.0
  O  O22  1  0.699  0.346  0.411  1.0
  O  O23  1  0.512  0.522  0.231  1.0
  O  O24  1  0.885  0.692  0.571  1.0
  O  O25  1  0.000  0.512  0.235  1.0
  O  O26  1  0.691  0.838  0.423  1.0
  O  O27  1  0.802  0.654  0.082  1.0
  O  O28  1  0.178  0.828  0.425  1.0
  O  O29  1  0.987  0.001  0.250  1.0
  O  O30  1  0.006  0.015  0.758  1.0
  O  O31  1  0.858  0.178  0.566  1.0
  O  O32  1  0.345  0.167  0.583  1.0
  O  O33  1  0.990  0.491  0.756  1.0
  O  O34  1  0.175  0.341  0.906  1.0
  O  O35  1  0.149  0.306  0.424  1.0
  O  O36  1  0.484  0.488  0.773  1.0
  O  O37  1  0.325  0.640  0.580  1.0
  O  O38  1  0.155  0.831  0.919  1.0
  O  O39  1  0.636  0.823  0.923  1.0
  O  O40  1  0.445  0.964  0.764  1.0
  O  O41  1  0.636  0.315  0.926  1.0
[/CIF]
.
The structure described by Ca(MoO2)2 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form CaO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mo(10)O6 octahedra,  a cornercorner with one Mo(8)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Ca site, Ca(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with three equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mo(7)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(13), one O(14), one O(15), one O(16), one O(19), and one O(20) atom to form CaO6 octahedra that share corners with three equivalent Mo(11)O4 tetrahedra, corners with three equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mo(10)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(7)O6 octahedra, and  an edgeedge with one Mo(8)O6 octahedra. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(18), one O(20), one O(5), one O(7), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Mo(5)O6 octahedra, and edges with two equivalent Mo(7)O6 octahedra. In the sixth Ca site, Ca(6) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form CaO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(10)O6 octahedra, and edges with two equivalent Mo(8)O6 octahedra. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form MoO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-66°. In the third Mo site, Mo(3) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Mo(12)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(10)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Mo(8)O6 octahedra. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Mo(12)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Mo(9)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. In the fifth Mo site, Mo(5) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mo(7)O6 octahedra. In the sixth Mo site, Mo(6) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra,  a cornercorner with one Mo(7)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-77°. In the seventh Mo site, Mo(7) is bonded to one O(11), one O(14), one O(15), one O(18), one O(7), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(9)O4 tetrahedra, corners with two equivalent Mo(11)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. In the eighth Mo site, Mo(8) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form MoO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mo(10)O6 octahedra. In the ninth Mo site, Mo(9) is bonded to one O(12), one O(18), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra,  a cornercorner with one Mo(7)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, and corners with three equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. In the tenth Mo site, Mo(10) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form MoO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Mo(11)O4 tetrahedra, corners with two equivalent Mo(12)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent Mo(8)O6 octahedra. In the eleventh Mo site, Mo(11) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(6)O6 octahedra,  a cornercorner with one Mo(10)O6 octahedra,  a cornercorner with one Mo(8)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra, and corners with three equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-76°. In the twelfth Mo site, Mo(12) is bonded to one O(10), one O(21), one O(22), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(3), one Mo(1), and one Mo(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Mo(1), one Mo(2), and one Mo(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(3), one Mo(3), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Mo(1), one Mo(3), and one Mo(4) atom to form distorted corner-sharing OCaMo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mo(2), and one Mo(5) atom. In the sixth O site, O(6) is bonded to one Ca(2), one Mo(1), one Mo(4), and one Mo(9) atom to form corner-sharing OCaMo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal pyramidal geometry to one Ca(5), one Mo(5), one Mo(6), and one Mo(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mo(4), and one Mo(9) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(5), one Mo(2), and one Mo(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(3), one Mo(1), one Mo(12), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Mo(2), one Mo(5), and one Mo(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Ca(2), one Ca(3), one Mo(1), and one Mo(9) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mo(6), and one Mo(8) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mo(11), one Mo(5), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mo(11), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(6), one Mo(10), and one Mo(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ca(6), one Mo(10), and one Mo(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Ca(5), one Mo(5), one Mo(7), and one Mo(9) atom. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Mo(10), one Mo(6), and one Mo(8) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Ca(4), one Ca(5), one Mo(11), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Mo(10), one Mo(12), one Mo(3), and one Mo(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mo(10), one Mo(12), and one Mo(3) atom. In the twenty-third O site, O(23) is bonded in a trigonal pyramidal geometry to one Ca(6), one Mo(10), one Mo(11), and one Mo(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Ca(6), one Mo(12), one Mo(3), and one Mo(8) atom. is represented by the CIF file [CIF]
data_Ca(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   6.537
_cell_length_c   16.139
_cell_angle_alpha   91.245
_cell_angle_beta   91.860
_cell_angle_gamma   119.351
_symmetry_Int_Tables_number   1
_cell_volume   591.675
_cell_formula_units_Z   6
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  0.168  0.345  0.045  1.0
  Ca  Ca1  1  0.838  0.666  0.330  1.0
  Ca  Ca2  1  0.168  0.850  0.167  1.0
  Ca  Ca3  1  0.169  0.332  0.667  1.0
  Ca  Ca4  1  0.516  0.489  0.500  1.0
  Ca  Ca5  1  0.815  0.162  0.832  1.0
  Mo  Mo6  1  0.669  0.846  0.166  1.0
  Mo  Mo7  1  0.501  0.969  0.371  1.0
  Mo  Mo8  1  0.491  0.998  0.004  1.0
  Mo  Mo9  1  0.667  0.340  0.165  1.0
  Mo  Mo10  1  0.012  0.498  0.497  1.0
  Mo  Mo11  1  0.812  0.681  0.700  1.0
  Mo  Mo12  1  0.023  0.006  0.500  1.0
  Mo  Mo13  1  0.317  0.160  0.836  1.0
  Mo  Mo14  1  0.177  0.361  0.296  1.0
  Mo  Mo15  1  0.307  0.650  0.834  1.0
  Mo  Mo16  1  0.526  0.981  0.628  1.0
  Mo  Mo17  1  0.813  0.659  0.956  1.0
  O  O18  1  0.366  0.719  0.083  1.0
  O  O19  1  0.536  0.031  0.245  1.0
  O  O20  1  0.358  0.158  0.084  1.0
  O  O21  1  0.792  0.148  0.090  1.0
  O  O22  1  0.699  0.346  0.411  1.0
  O  O23  1  0.512  0.522  0.231  1.0
  O  O24  1  0.885  0.692  0.571  1.0
  O  O25  1  0.000  0.512  0.235  1.0
  O  O26  1  0.691  0.838  0.423  1.0
  O  O27  1  0.802  0.654  0.082  1.0
  O  O28  1  0.178  0.828  0.425  1.0
  O  O29  1  0.987  0.001  0.250  1.0
  O  O30  1  0.006  0.015  0.758  1.0
  O  O31  1  0.858  0.178  0.566  1.0
  O  O32  1  0.345  0.167  0.583  1.0
  O  O33  1  0.990  0.491  0.756  1.0
  O  O34  1  0.175  0.341  0.906  1.0
  O  O35  1  0.149  0.306  0.424  1.0
  O  O36  1  0.484  0.488  0.773  1.0
  O  O37  1  0.325  0.640  0.580  1.0
  O  O38  1  0.155  0.831  0.919  1.0
  O  O39  1  0.636  0.823  0.923  1.0
  O  O40  1  0.445  0.964  0.764  1.0
  O  O41  1  0.636  0.315  0.926  1.0
[/CIF]
.