The material structure described by CaAsO6 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one As(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ca(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Ca(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.603
_cell_length_c   5.934
_cell_angle_alpha   75.750
_cell_angle_beta   75.750
_cell_angle_gamma   127.721
_symmetry_Int_Tables_number   1
_cell_volume   225.009
_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  0.637  0.817  0.727  1.0
  Ca  Ca1  1  0.817  0.637  0.227  1.0
  As  As2  1  0.150  0.333  0.771  1.0
  As  As3  1  0.333  0.150  0.271  1.0
  O  O4  1  0.396  0.041  0.019  1.0
  O  O5  1  0.041  0.396  0.519  1.0
  O  O6  1  0.937  0.009  0.893  1.0
  O  O7  1  0.009  0.937  0.393  1.0
  O  O8  1  0.623  0.996  0.326  1.0
  O  O9  1  0.996  0.623  0.826  1.0
  O  O10  1  0.499  0.952  0.057  1.0
  O  O11  1  0.952  0.499  0.557  1.0
  O  O12  1  0.466  0.505  0.580  1.0
  O  O13  1  0.505  0.466  0.080  1.0
  O  O14  1  0.152  0.479  0.948  1.0
  O  O15  1  0.479  0.152  0.448  1.0
[/CIF]
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The material structure described by CaAsO6 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one As(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ca(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Ca(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.603
_cell_length_b   7.603
_cell_length_c   5.934
_cell_angle_alpha   75.750
_cell_angle_beta   75.750
_cell_angle_gamma   127.721
_symmetry_Int_Tables_number   1
_cell_volume   225.009
_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  0.637  0.817  0.727  1.0
  Ca  Ca1  1  0.817  0.637  0.227  1.0
  As  As2  1  0.150  0.333  0.771  1.0
  As  As3  1  0.333  0.150  0.271  1.0
  O  O4  1  0.396  0.041  0.019  1.0
  O  O5  1  0.041  0.396  0.519  1.0
  O  O6  1  0.937  0.009  0.893  1.0
  O  O7  1  0.009  0.937  0.393  1.0
  O  O8  1  0.623  0.996  0.326  1.0
  O  O9  1  0.996  0.623  0.826  1.0
  O  O10  1  0.499  0.952  0.057  1.0
  O  O11  1  0.952  0.499  0.557  1.0
  O  O12  1  0.466  0.505  0.580  1.0
  O  O13  1  0.505  0.466  0.080  1.0
  O  O14  1  0.152  0.479  0.948  1.0
  O  O15  1  0.479  0.152  0.448  1.0
[/CIF]
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