# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  Rh4P3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A3B4_oP28_62_3c_4c-002 

# Last updated on 2024/09/29

data_Rh4P3
_pd_phase_name Rh4P3
_cell_length_a  11.6620000000
_cell_length_b  3.3170000000
_cell_length_c  9.9940000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_Number  62
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z
  4  x+1/2,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z
  8  -x+1/2,y+1/2,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
P1  1.0000000000 0.3763000000 0.2500000000 0.7616000000  Biso 1.0 P  4 c
P2  1.0000000000 0.1273000000 0.2500000000 0.9212000000  Biso 1.0 P  4 c
P3  1.0000000000 0.3704000000 0.2500000000 0.0792000000  Biso 1.0 P  4 c
Rh4 1.0000000000 0.0270000000 0.2500000000 0.1172000000  Biso 1.0 Rh 4 c
Rh5 1.0000000000 0.2717000000 0.2500000000 0.5696000000  Biso 1.0 Rh 4 c
Rh6 1.0000000000 0.0647000000 0.2500000000 0.4059000000  Biso 1.0 Rh 4 c
Rh7 1.0000000000 0.2945000000 0.2500000000 0.2911000000  Biso 1.0 Rh 4 c
