The compound described by Ca2MnWO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. is represented by the CIF card [CIF]
data_Ca2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.621
_cell_length_c   5.728
_cell_angle_alpha   119.353
_cell_angle_beta   90.045
_cell_angle_gamma   119.974
_symmetry_Int_Tables_number   1
_cell_volume   129.183
_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  0.721  0.461  0.185  1.0
  Ca  Ca1  1  0.223  0.464  0.689  1.0
  Mn  Mn2  1  0.493  0.004  0.499  1.0
  O  O3  1  0.860  0.128  0.807  1.0
  O  O4  1  0.139  0.945  0.283  1.0
  O  O5  1  0.251  0.945  0.808  1.0
  O  O6  1  0.676  0.554  0.806  1.0
  O  O7  1  0.335  0.493  0.283  1.0
  O  O8  1  0.787  0.141  0.283  1.0
  W  W9  1  1.000  0.018  0.021  1.0
[/CIF]
.
The compound described by Ca2MnWO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. is represented by the CIF card [CIF]
data_Ca2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.621
_cell_length_c   5.728
_cell_angle_alpha   119.353
_cell_angle_beta   90.045
_cell_angle_gamma   119.974
_symmetry_Int_Tables_number   1
_cell_volume   129.183
_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  0.721  0.461  0.185  1.0
  Ca  Ca1  1  0.223  0.464  0.689  1.0
  Mn  Mn2  1  0.493  0.004  0.499  1.0
  O  O3  1  0.860  0.128  0.807  1.0
  O  O4  1  0.139  0.945  0.283  1.0
  O  O5  1  0.251  0.945  0.808  1.0
  O  O6  1  0.676  0.554  0.806  1.0
  O  O7  1  0.335  0.493  0.283  1.0
  O  O8  1  0.787  0.141  0.283  1.0
  W  W9  1  1.000  0.018  0.021  1.0
[/CIF]
.