The material structure described by CaAgAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ag(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ag(1), and one As(1) atom to form distorted corner-sharing OCaAg2As tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_CaAgAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   7.609
_cell_length_c   9.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.731
_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  0.495  0.677  0.334  1.0
  Ca  Ca1  1  0.005  0.323  0.834  1.0
  Ca  Ca2  1  0.505  0.177  0.166  1.0
  Ca  Ca3  1  0.995  0.823  0.666  1.0
  Ag  Ag4  1  0.747  0.750  0.000  1.0
  Ag  Ag5  1  0.753  0.250  0.500  1.0
  Ag  Ag6  1  0.253  0.250  0.500  1.0
  Ag  Ag7  1  0.247  0.750  1.000  1.0
  As  As8  1  0.971  0.393  0.166  1.0
  As  As9  1  0.529  0.607  0.666  1.0
  As  As10  1  0.029  0.893  0.334  1.0
  As  As11  1  0.471  0.107  0.834  1.0
  O  O12  1  0.999  0.556  0.032  1.0
  O  O13  1  0.501  0.444  0.532  1.0
  O  O14  1  0.001  0.056  0.468  1.0
  O  O15  1  0.499  0.944  0.968  1.0
  O  O16  1  0.888  0.223  0.066  1.0
  O  O17  1  0.612  0.777  0.566  1.0
  O  O18  1  0.112  0.723  0.434  1.0
  O  O19  1  0.388  0.277  0.934  1.0
  O  O20  1  0.226  0.380  0.242  1.0
  O  O21  1  0.274  0.620  0.742  1.0
  O  O22  1  0.774  0.880  0.258  1.0
  O  O23  1  0.726  0.120  0.758  1.0
  O  O24  1  0.753  0.436  0.272  1.0
  O  O25  1  0.747  0.564  0.772  1.0
  O  O26  1  0.247  0.936  0.228  1.0
  O  O27  1  0.253  0.064  0.728  1.0
  O  O28  1  0.496  0.626  0.096  1.0
  O  O29  1  0.004  0.374  0.596  1.0
  O  O30  1  0.504  0.126  0.404  1.0
  O  O31  1  0.996  0.874  0.904  1.0
[/CIF]
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The material structure described by CaAgAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ag(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Ag(1), and one As(1) atom to form distorted corner-sharing OCaAg2As tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ag(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_CaAgAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.020
_cell_length_b   7.609
_cell_length_c   9.863
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.731
_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  0.495  0.677  0.334  1.0
  Ca  Ca1  1  0.005  0.323  0.834  1.0
  Ca  Ca2  1  0.505  0.177  0.166  1.0
  Ca  Ca3  1  0.995  0.823  0.666  1.0
  Ag  Ag4  1  0.747  0.750  0.000  1.0
  Ag  Ag5  1  0.753  0.250  0.500  1.0
  Ag  Ag6  1  0.253  0.250  0.500  1.0
  Ag  Ag7  1  0.247  0.750  1.000  1.0
  As  As8  1  0.971  0.393  0.166  1.0
  As  As9  1  0.529  0.607  0.666  1.0
  As  As10  1  0.029  0.893  0.334  1.0
  As  As11  1  0.471  0.107  0.834  1.0
  O  O12  1  0.999  0.556  0.032  1.0
  O  O13  1  0.501  0.444  0.532  1.0
  O  O14  1  0.001  0.056  0.468  1.0
  O  O15  1  0.499  0.944  0.968  1.0
  O  O16  1  0.888  0.223  0.066  1.0
  O  O17  1  0.612  0.777  0.566  1.0
  O  O18  1  0.112  0.723  0.434  1.0
  O  O19  1  0.388  0.277  0.934  1.0
  O  O20  1  0.226  0.380  0.242  1.0
  O  O21  1  0.274  0.620  0.742  1.0
  O  O22  1  0.774  0.880  0.258  1.0
  O  O23  1  0.726  0.120  0.758  1.0
  O  O24  1  0.753  0.436  0.272  1.0
  O  O25  1  0.747  0.564  0.772  1.0
  O  O26  1  0.247  0.936  0.228  1.0
  O  O27  1  0.253  0.064  0.728  1.0
  O  O28  1  0.496  0.626  0.096  1.0
  O  O29  1  0.004  0.374  0.596  1.0
  O  O30  1  0.504  0.126  0.404  1.0
  O  O31  1  0.996  0.874  0.904  1.0
[/CIF]
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