The material described by Cr3AgO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Ag(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Ag(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Ag(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Ag(1) atom. is represented by the CIF card [CIF]
data_Cr3AgO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   6.844
_cell_angle_alpha   88.228
_cell_angle_beta   88.228
_cell_angle_gamma   66.245
_symmetry_Int_Tables_number   1
_cell_volume   158.209
_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
  Ag  Ag0  1  0.000  1.000  0.000  1.0
  Cr  Cr1  1  0.000  1.000  0.500  1.0
  Cr  Cr2  1  0.354  0.354  0.723  1.0
  Cr  Cr3  1  0.646  0.646  0.277  1.0
  O  O4  1  0.738  0.738  0.066  1.0
  O  O5  1  0.262  0.262  0.934  1.0
  O  O6  1  0.776  0.776  0.452  1.0
  O  O7  1  0.224  0.224  0.548  1.0
  O  O8  1  0.720  0.214  0.704  1.0
  O  O9  1  0.214  0.720  0.704  1.0
  O  O10  1  0.280  0.786  0.296  1.0
  O  O11  1  0.786  0.280  0.296  1.0
[/CIF]
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The material described by Cr3AgO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Ag(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Ag(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Cr(2)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Ag(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Ag(1) atom. is represented by the CIF card [CIF]
data_Cr3AgO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   6.844
_cell_angle_alpha   88.228
_cell_angle_beta   88.228
_cell_angle_gamma   66.245
_symmetry_Int_Tables_number   1
_cell_volume   158.209
_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
  Ag  Ag0  1  0.000  1.000  0.000  1.0
  Cr  Cr1  1  0.000  1.000  0.500  1.0
  Cr  Cr2  1  0.354  0.354  0.723  1.0
  Cr  Cr3  1  0.646  0.646  0.277  1.0
  O  O4  1  0.738  0.738  0.066  1.0
  O  O5  1  0.262  0.262  0.934  1.0
  O  O6  1  0.776  0.776  0.452  1.0
  O  O7  1  0.224  0.224  0.548  1.0
  O  O8  1  0.720  0.214  0.704  1.0
  O  O9  1  0.214  0.720  0.704  1.0
  O  O10  1  0.280  0.786  0.296  1.0
  O  O11  1  0.786  0.280  0.296  1.0
[/CIF]
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