The material structure described by Ca(BeP)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent P(1) atoms to form distorted CaP6 octahedra that share corners with twelve equivalent Be(1)P4 tetrahedra, edges with six equivalent Ca(1)P6 octahedra, and edges with six equivalent Be(1)P4 tetrahedra. Be(1) is bonded to four equivalent P(1) atoms to form BeP4 tetrahedra that share corners with six equivalent Ca(1)P6 octahedra, corners with six equivalent Be(1)P4 tetrahedra, edges with three equivalent Ca(1)P6 octahedra, and edges with three equivalent Be(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Ca(BeP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.746
_cell_length_b   3.746
_cell_length_c   6.610
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.318
_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  0.000  0.000  0.000  1.0
  Be  Be1  1  0.667  0.333  0.377  1.0
  Be  Be2  1  0.333  0.667  0.623  1.0
  P  P3  1  0.667  0.333  0.716  1.0
  P  P4  1  0.333  0.667  0.284  1.0
[/CIF]
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The material structure described by Ca(BeP)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent P(1) atoms to form distorted CaP6 octahedra that share corners with twelve equivalent Be(1)P4 tetrahedra, edges with six equivalent Ca(1)P6 octahedra, and edges with six equivalent Be(1)P4 tetrahedra. Be(1) is bonded to four equivalent P(1) atoms to form BeP4 tetrahedra that share corners with six equivalent Ca(1)P6 octahedra, corners with six equivalent Be(1)P4 tetrahedra, edges with three equivalent Ca(1)P6 octahedra, and edges with three equivalent Be(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Ca(BeP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.746
_cell_length_b   3.746
_cell_length_c   6.610
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.318
_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  0.000  0.000  0.000  1.0
  Be  Be1  1  0.667  0.333  0.377  1.0
  Be  Be2  1  0.333  0.667  0.623  1.0
  P  P3  1  0.667  0.333  0.716  1.0
  P  P4  1  0.333  0.667  0.284  1.0
[/CIF]
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