data_Cr2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiP
_chemical_formula_sum   'Cr2 Si1 P1'
_cell_volume   46.59
_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
  Cr  Cr0  1  0.51  0.51  0.99  1.0
  Cr  Cr1  1  0.0  0.0  0.45  1.0
  Si  Si3  1  0.0  0.0  0.91  1.0
  P  P2  1  0.51  0.51  0.49  1.0

data_Cr2SiP
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Cr2SiP
_chemical_formula_sum   'Cr2 Si1 P1'
_cell_volume   46.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Cr  Cr0  1  0.0  0.0  0.45  1.0
  Cr  Cr1  1  0.5  0.5  0.99  1.0
  Si  Si2  1  0.0  0.0  0.91  1.0
  P  P3  1  0.5  0.5  0.49  1.0

Cr Cr Si P
Cr2SiP crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Si(1) and two equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing CrSi4P2 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are a spread of Cr(1)-Si(1) bond distances ranging from 2.13-2.19 Å. Both Cr(1)-P(1) bond lengths are 2.57 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent P(1) atoms. There is one shorter (2.39 Å) and one longer (2.74 Å) Cr(2)-Si(1) bond length. There are a spread of Cr(2)-P(1) bond distances ranging from 2.11-2.17 Å. Si(1) is bonded in a 6-coordinate geometry to two equivalent Cr(2) and four equivalent Cr(1) atoms. P(1) is bonded to two equivalent Cr(1) and four equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing PCr6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°.