# 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:  alpha-SnWO4

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4BC_oP24_52_2e_c_d-001 

# Last updated on 2025/06/07

data_alpha-SnWO4
_pd_phase_name alpha-SnWO4
_cell_length_a  5.6270000000
_cell_length_b  11.6486000000
_cell_length_c  4.9973000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnna'
_symmetry_Int_Tables_Number  52
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z
  3  -x+1/2,y+1/2,-z+1/2
  4  x,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z
  7  x+1/2,-y+1/2,z+1/2
  8  -x,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
Sn1 1.0000000000 0.2500000000 0.0000000000 0.2196000000  Biso 1.0 Sn 4 c
W2  1.0000000000 0.6677000000 0.2500000000 0.2500000000  Biso 1.0 W  4 d
O3  1.0000000000 0.3765000000 0.2987000000 0.9988000000  Biso 1.0 O  8 e
O4  1.0000000000 0.1019000000 0.3961000000 0.6037000000  Biso 1.0 O  8 e
