The crystal structure described by CaAgBiO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted edge-sharing BiO6 pentagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ag(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_CaAgBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.072
_cell_length_b   5.885
_cell_length_c   8.962
_cell_angle_alpha   72.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.545
_cell_formula_units_Z   4
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  0.106  0.521  0.841  1.0
  Ca  Ca1  1  0.894  0.479  0.159  1.0
  Ca  Ca2  1  0.606  0.479  0.659  1.0
  Ca  Ca3  1  0.394  0.521  0.341  1.0
  Ag  Ag4  1  0.371  0.060  0.114  1.0
  Ag  Ag5  1  0.629  0.940  0.886  1.0
  Ag  Ag6  1  0.871  0.940  0.386  1.0
  Ag  Ag7  1  0.129  0.060  0.614  1.0
  Bi  Bi8  1  0.912  0.040  0.839  1.0
  Bi  Bi9  1  0.088  0.960  0.161  1.0
  Bi  Bi10  1  0.588  0.040  0.339  1.0
  Bi  Bi11  1  0.412  0.960  0.661  1.0
  O  O12  1  0.980  0.853  0.680  1.0
  O  O13  1  0.023  0.304  0.683  1.0
  O  O14  1  0.755  0.229  0.309  1.0
  O  O15  1  0.464  0.776  0.494  1.0
  O  O16  1  0.714  0.762  0.453  1.0
  O  O17  1  0.786  0.762  0.953  1.0
  O  O18  1  0.477  0.304  0.183  1.0
  O  O19  1  0.523  0.696  0.817  1.0
  O  O20  1  0.536  0.224  0.506  1.0
  O  O21  1  0.480  0.147  0.820  1.0
  O  O22  1  0.286  0.238  0.547  1.0
  O  O23  1  0.020  0.147  0.320  1.0
  O  O24  1  0.520  0.853  0.180  1.0
  O  O25  1  0.214  0.238  0.047  1.0
  O  O26  1  0.964  0.224  0.006  1.0
  O  O27  1  0.036  0.776  0.994  1.0
  O  O28  1  0.245  0.771  0.691  1.0
  O  O29  1  0.977  0.696  0.317  1.0
  O  O30  1  0.255  0.771  0.191  1.0
  O  O31  1  0.745  0.229  0.809  1.0
[/CIF]
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The crystal structure described by CaAgBiO5 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted edge-sharing BiO6 pentagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ca(1), one Ag(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form edge-sharing OCa2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ag(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_CaAgBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.072
_cell_length_b   5.885
_cell_length_c   8.962
_cell_angle_alpha   72.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.545
_cell_formula_units_Z   4
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  0.106  0.521  0.841  1.0
  Ca  Ca1  1  0.894  0.479  0.159  1.0
  Ca  Ca2  1  0.606  0.479  0.659  1.0
  Ca  Ca3  1  0.394  0.521  0.341  1.0
  Ag  Ag4  1  0.371  0.060  0.114  1.0
  Ag  Ag5  1  0.629  0.940  0.886  1.0
  Ag  Ag6  1  0.871  0.940  0.386  1.0
  Ag  Ag7  1  0.129  0.060  0.614  1.0
  Bi  Bi8  1  0.912  0.040  0.839  1.0
  Bi  Bi9  1  0.088  0.960  0.161  1.0
  Bi  Bi10  1  0.588  0.040  0.339  1.0
  Bi  Bi11  1  0.412  0.960  0.661  1.0
  O  O12  1  0.980  0.853  0.680  1.0
  O  O13  1  0.023  0.304  0.683  1.0
  O  O14  1  0.755  0.229  0.309  1.0
  O  O15  1  0.464  0.776  0.494  1.0
  O  O16  1  0.714  0.762  0.453  1.0
  O  O17  1  0.786  0.762  0.953  1.0
  O  O18  1  0.477  0.304  0.183  1.0
  O  O19  1  0.523  0.696  0.817  1.0
  O  O20  1  0.536  0.224  0.506  1.0
  O  O21  1  0.480  0.147  0.820  1.0
  O  O22  1  0.286  0.238  0.547  1.0
  O  O23  1  0.020  0.147  0.320  1.0
  O  O24  1  0.520  0.853  0.180  1.0
  O  O25  1  0.214  0.238  0.047  1.0
  O  O26  1  0.964  0.224  0.006  1.0
  O  O27  1  0.036  0.776  0.994  1.0
  O  O28  1  0.245  0.771  0.691  1.0
  O  O29  1  0.977  0.696  0.317  1.0
  O  O30  1  0.255  0.771  0.191  1.0
  O  O31  1  0.745  0.229  0.809  1.0
[/CIF]
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