The material structure described by Ca5As3O14 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(3), and four equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Ca(2) and one O(3) atom to form OCa3O tetrahedra that share corners with three equivalent O(2)Ca3As tetrahedra and  a faceface with one O(3)Ca3O tetrahedra. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one As(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one As(1) atom. In the fourth O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one As(1) atom to form distorted OCa3As tetrahedra that share corners with two equivalent O(3)Ca3O tetrahedra and edges with two equivalent O(2)Ca3As tetrahedra. is represented by the CIF file [CIF]
data_Ca5As3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.937
_cell_length_b   9.937
_cell_length_c   7.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   599.789
_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  0.667  0.333  0.998  1.0
  Ca  Ca1  1  0.333  0.667  0.002  1.0
  Ca  Ca2  1  0.333  0.667  0.498  1.0
  Ca  Ca3  1  0.667  0.333  0.502  1.0
  Ca  Ca4  1  0.751  0.993  0.750  1.0
  Ca  Ca5  1  0.249  0.007  0.250  1.0
  Ca  Ca6  1  0.242  0.249  0.750  1.0
  Ca  Ca7  1  0.758  0.751  0.250  1.0
  Ca  Ca8  1  0.007  0.758  0.750  1.0
  Ca  Ca9  1  0.993  0.242  0.250  1.0
  As  As10  1  0.601  0.628  0.750  1.0
  As  As11  1  0.399  0.372  0.250  1.0
  As  As12  1  0.027  0.399  0.750  1.0
  As  As13  1  0.973  0.601  0.250  1.0
  As  As14  1  0.372  0.973  0.750  1.0
  As  As15  1  0.628  0.027  0.250  1.0
  O  O16  1  0.658  0.750  0.944  1.0
  O  O17  1  0.342  0.250  0.056  1.0
  O  O18  1  0.092  0.342  0.944  1.0
  O  O19  1  0.342  0.250  0.444  1.0
  O  O20  1  0.908  0.658  0.056  1.0
  O  O21  1  0.658  0.750  0.556  1.0
  O  O22  1  0.250  0.908  0.944  1.0
  O  O23  1  0.908  0.658  0.444  1.0
  O  O24  1  0.750  0.092  0.056  1.0
  O  O25  1  0.092  0.342  0.556  1.0
  O  O26  1  0.750  0.092  0.444  1.0
  O  O27  1  0.250  0.908  0.556  1.0
  O  O28  1  0.399  0.529  0.750  1.0
  O  O29  1  0.601  0.471  0.250  1.0
  O  O30  1  0.129  0.601  0.750  1.0
  O  O31  1  0.871  0.399  0.250  1.0
  O  O32  1  0.471  0.871  0.750  1.0
  O  O33  1  0.529  0.129  0.250  1.0
  O  O34  1  0.000  0.000  0.905  1.0
  O  O35  1  0.000  0.000  0.095  1.0
  O  O36  1  0.000  0.000  0.405  1.0
  O  O37  1  0.000  0.000  0.595  1.0
  O  O38  1  0.829  0.323  0.750  1.0
  O  O39  1  0.171  0.677  0.250  1.0
  O  O40  1  0.494  0.171  0.750  1.0
  O  O41  1  0.506  0.829  0.250  1.0
  O  O42  1  0.677  0.506  0.750  1.0
  O  O43  1  0.323  0.494  0.250  1.0
[/CIF]
.
The material structure described by Ca5As3O14 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(3), and four equivalent O(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Ca(2) and one O(3) atom to form OCa3O tetrahedra that share corners with three equivalent O(2)Ca3As tetrahedra and  a faceface with one O(3)Ca3O tetrahedra. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one As(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one As(1) atom. In the fourth O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one As(1) atom to form distorted OCa3As tetrahedra that share corners with two equivalent O(3)Ca3O tetrahedra and edges with two equivalent O(2)Ca3As tetrahedra. is represented by the CIF file [CIF]
data_Ca5As3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.937
_cell_length_b   9.937
_cell_length_c   7.014
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   599.789
_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  0.667  0.333  0.998  1.0
  Ca  Ca1  1  0.333  0.667  0.002  1.0
  Ca  Ca2  1  0.333  0.667  0.498  1.0
  Ca  Ca3  1  0.667  0.333  0.502  1.0
  Ca  Ca4  1  0.751  0.993  0.750  1.0
  Ca  Ca5  1  0.249  0.007  0.250  1.0
  Ca  Ca6  1  0.242  0.249  0.750  1.0
  Ca  Ca7  1  0.758  0.751  0.250  1.0
  Ca  Ca8  1  0.007  0.758  0.750  1.0
  Ca  Ca9  1  0.993  0.242  0.250  1.0
  As  As10  1  0.601  0.628  0.750  1.0
  As  As11  1  0.399  0.372  0.250  1.0
  As  As12  1  0.027  0.399  0.750  1.0
  As  As13  1  0.973  0.601  0.250  1.0
  As  As14  1  0.372  0.973  0.750  1.0
  As  As15  1  0.628  0.027  0.250  1.0
  O  O16  1  0.658  0.750  0.944  1.0
  O  O17  1  0.342  0.250  0.056  1.0
  O  O18  1  0.092  0.342  0.944  1.0
  O  O19  1  0.342  0.250  0.444  1.0
  O  O20  1  0.908  0.658  0.056  1.0
  O  O21  1  0.658  0.750  0.556  1.0
  O  O22  1  0.250  0.908  0.944  1.0
  O  O23  1  0.908  0.658  0.444  1.0
  O  O24  1  0.750  0.092  0.056  1.0
  O  O25  1  0.092  0.342  0.556  1.0
  O  O26  1  0.750  0.092  0.444  1.0
  O  O27  1  0.250  0.908  0.556  1.0
  O  O28  1  0.399  0.529  0.750  1.0
  O  O29  1  0.601  0.471  0.250  1.0
  O  O30  1  0.129  0.601  0.750  1.0
  O  O31  1  0.871  0.399  0.250  1.0
  O  O32  1  0.471  0.871  0.750  1.0
  O  O33  1  0.529  0.129  0.250  1.0
  O  O34  1  0.000  0.000  0.905  1.0
  O  O35  1  0.000  0.000  0.095  1.0
  O  O36  1  0.000  0.000  0.405  1.0
  O  O37  1  0.000  0.000  0.595  1.0
  O  O38  1  0.829  0.323  0.750  1.0
  O  O39  1  0.171  0.677  0.250  1.0
  O  O40  1  0.494  0.171  0.750  1.0
  O  O41  1  0.506  0.829  0.250  1.0
  O  O42  1  0.677  0.506  0.750  1.0
  O  O43  1  0.323  0.494  0.250  1.0
[/CIF]
.