The material described by CaAgAsO4 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Ca(1)O6 octahedra. Ag(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ag(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. is represented by the CIF card [CIF]
data_CaAgAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   7.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.057
_symmetry_Int_Tables_number   1
_cell_volume   202.657
_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  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.312  0.688  0.750  1.0
  Ag  Ag3  1  0.688  0.312  0.250  1.0
  As  As4  1  0.652  0.348  0.750  1.0
  As  As5  1  0.348  0.652  0.250  1.0
  O  O6  1  0.758  0.242  0.558  1.0
  O  O7  1  0.242  0.758  0.442  1.0
  O  O8  1  0.242  0.758  0.058  1.0
  O  O9  1  0.758  0.242  0.942  1.0
  O  O10  1  0.775  0.693  0.750  1.0
  O  O11  1  0.225  0.307  0.250  1.0
  O  O12  1  0.307  0.225  0.750  1.0
  O  O13  1  0.693  0.775  0.250  1.0
[/CIF]
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The material described by CaAgAsO4 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Ca(1)O6 octahedra. Ag(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ag(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. is represented by the CIF card [CIF]
data_CaAgAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   7.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.057
_symmetry_Int_Tables_number   1
_cell_volume   202.657
_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  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.312  0.688  0.750  1.0
  Ag  Ag3  1  0.688  0.312  0.250  1.0
  As  As4  1  0.652  0.348  0.750  1.0
  As  As5  1  0.348  0.652  0.250  1.0
  O  O6  1  0.758  0.242  0.558  1.0
  O  O7  1  0.242  0.758  0.442  1.0
  O  O8  1  0.242  0.758  0.058  1.0
  O  O9  1  0.758  0.242  0.942  1.0
  O  O10  1  0.775  0.693  0.750  1.0
  O  O11  1  0.225  0.307  0.250  1.0
  O  O12  1  0.307  0.225  0.750  1.0
  O  O13  1  0.693  0.775  0.250  1.0
[/CIF]
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