The material structure described by CaWMnO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. 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 20-26°. 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 20-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_CaMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.390
_cell_length_c   7.576
_cell_angle_alpha   89.995
_cell_angle_beta   90.041
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.406
_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  0.510  0.543  0.249  1.0
  Ca  Ca1  1  0.010  0.957  0.749  1.0
  Mn  Mn2  1  0.003  0.499  0.500  1.0
  Mn  Mn3  1  0.503  0.001  0.000  1.0
  W  W4  1  0.502  0.009  0.499  1.0
  W  W5  1  0.002  0.491  0.999  1.0
  O  O6  1  0.712  0.293  0.462  1.0
  O  O7  1  0.212  0.207  0.962  1.0
  O  O8  1  0.782  0.781  0.032  1.0
  O  O9  1  0.281  0.719  0.532  1.0
  O  O10  1  0.208  0.213  0.536  1.0
  O  O11  1  0.708  0.287  0.036  1.0
  O  O12  1  0.286  0.717  0.969  1.0
  O  O13  1  0.785  0.783  0.469  1.0
  O  O14  1  0.073  0.489  0.251  1.0
  O  O15  1  0.573  0.011  0.751  1.0
  O  O16  1  0.439  0.989  0.248  1.0
  O  O17  1  0.939  0.511  0.748  1.0
[/CIF]
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The material structure described by CaWMnO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. 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 20-26°. 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 20-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_CaMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.390
_cell_length_c   7.576
_cell_angle_alpha   89.995
_cell_angle_beta   90.041
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.406
_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  0.510  0.543  0.249  1.0
  Ca  Ca1  1  0.010  0.957  0.749  1.0
  Mn  Mn2  1  0.003  0.499  0.500  1.0
  Mn  Mn3  1  0.503  0.001  0.000  1.0
  W  W4  1  0.502  0.009  0.499  1.0
  W  W5  1  0.002  0.491  0.999  1.0
  O  O6  1  0.712  0.293  0.462  1.0
  O  O7  1  0.212  0.207  0.962  1.0
  O  O8  1  0.782  0.781  0.032  1.0
  O  O9  1  0.281  0.719  0.532  1.0
  O  O10  1  0.208  0.213  0.536  1.0
  O  O11  1  0.708  0.287  0.036  1.0
  O  O12  1  0.286  0.717  0.969  1.0
  O  O13  1  0.785  0.783  0.469  1.0
  O  O14  1  0.073  0.489  0.251  1.0
  O  O15  1  0.573  0.011  0.751  1.0
  O  O16  1  0.439  0.989  0.248  1.0
  O  O17  1  0.939  0.511  0.748  1.0
[/CIF]
.