# 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:  Gd2O5Si

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B5C_mP32_14_2e_5e_e-001

# Last updated on 2024/08/01

data_Gd8O20Si4
_pd_phase_name Gd8O20Si4
_cell_length_a  12.9748633565
_cell_length_b  7.0600000000
_cell_length_c  6.8300000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  137.7003140694
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  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
Gd1 1.0000000000 0.9754200000 0.1245100000 0.7411400000  Biso 1.0 Gd 4 e
Gd2 1.0000000000 0.6145300000 0.1460000000 0.5308100000  Biso 1.0 Gd 4 e
O3 1.0000000000 0.8837000000 0.3782000000 0.4324000000  Biso 1.0 O 4 e
O4 1.0000000000 0.7032000000 0.0698000000 0.3485000000  Biso 1.0 O 4 e
O5 1.0000000000 0.6317000000 0.4587000000 0.3837000000  Biso 1.0 O 4 e
O6 1.0000000000 0.4059000000 0.2681000000 0.9552000000  Biso 1.0 O 4 e
O7 1.0000000000 0.1161000000 0.3639000000 0.1102000000  Biso 1.0 O 4 e
Si8 1.0000000000 0.7020000000 0.5876000000 0.6618000000  Biso 1.0 Si 4 e
