The material described by Ca4P2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to five equivalent P(1) and one O(1) atom. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to four equivalent P(1) and two equivalent O(1) atoms. P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca4P2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.498
_cell_length_b   4.498
_cell_length_c   8.169
_cell_angle_alpha   105.981
_cell_angle_beta   105.981
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.272
_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
  Ca  Ca0  1  0.827  0.827  0.653  1.0
  Ca  Ca1  1  0.173  0.173  0.347  1.0
  Ca  Ca2  1  0.000  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.636  0.636  0.272  1.0
  P  P5  1  0.364  0.364  0.728  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Ca4P2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to five equivalent P(1) and one O(1) atom. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to four equivalent P(1) and two equivalent O(1) atoms. P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca4P2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.498
_cell_length_b   4.498
_cell_length_c   8.169
_cell_angle_alpha   105.981
_cell_angle_beta   105.981
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.272
_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
  Ca  Ca0  1  0.827  0.827  0.653  1.0
  Ca  Ca1  1  0.173  0.173  0.347  1.0
  Ca  Ca2  1  0.000  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.636  0.636  0.272  1.0
  P  P5  1  0.364  0.364  0.728  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.