The material structure described by Ca2TaAgO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 36°. Ag(1) is bonded in a square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ta(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ta(1), and one Ag(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Ag(1) atoms to form corner-sharing OCa2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_Ca2TaAgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.626
_cell_length_b   5.856
_cell_length_c   6.074
_cell_angle_alpha   79.133
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.355
_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  0.750  0.966  0.070  1.0
  Ca  Ca1  1  0.750  0.476  0.561  1.0
  Ca  Ca2  1  0.250  0.524  0.439  1.0
  Ca  Ca3  1  0.250  0.034  0.930  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.500  0.000  0.500  1.0
  Ag  Ag6  1  0.000  0.500  0.000  1.0
  Ag  Ag7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.450  0.174  0.184  1.0
  O  O9  1  0.552  0.732  0.358  1.0
  O  O10  1  0.550  0.826  0.816  1.0
  O  O11  1  0.052  0.268  0.642  1.0
  O  O12  1  0.250  0.894  0.541  1.0
  O  O13  1  0.448  0.268  0.642  1.0
  O  O14  1  0.948  0.732  0.358  1.0
  O  O15  1  0.050  0.174  0.184  1.0
  O  O16  1  0.750  0.379  0.948  1.0
  O  O17  1  0.950  0.826  0.816  1.0
  O  O18  1  0.250  0.621  0.052  1.0
  O  O19  1  0.750  0.106  0.459  1.0
[/CIF]
.
The material structure described by Ca2TaAgO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 36°. Ag(1) is bonded in a square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ta(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ta(1), and one Ag(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Ag(1) atoms to form corner-sharing OCa2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_Ca2TaAgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.626
_cell_length_b   5.856
_cell_length_c   6.074
_cell_angle_alpha   79.133
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.355
_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  0.750  0.966  0.070  1.0
  Ca  Ca1  1  0.750  0.476  0.561  1.0
  Ca  Ca2  1  0.250  0.524  0.439  1.0
  Ca  Ca3  1  0.250  0.034  0.930  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.500  0.000  0.500  1.0
  Ag  Ag6  1  0.000  0.500  0.000  1.0
  Ag  Ag7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.450  0.174  0.184  1.0
  O  O9  1  0.552  0.732  0.358  1.0
  O  O10  1  0.550  0.826  0.816  1.0
  O  O11  1  0.052  0.268  0.642  1.0
  O  O12  1  0.250  0.894  0.541  1.0
  O  O13  1  0.448  0.268  0.642  1.0
  O  O14  1  0.948  0.732  0.358  1.0
  O  O15  1  0.050  0.174  0.184  1.0
  O  O16  1  0.750  0.379  0.948  1.0
  O  O17  1  0.950  0.826  0.816  1.0
  O  O18  1  0.250  0.621  0.052  1.0
  O  O19  1  0.750  0.106  0.459  1.0
[/CIF]
.