# 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:  Gd2O7Si2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B7C2_oP44_33_2a_7a_2a-001

# Last updated on 2024/08/01

data_Gd8O28Si8
_pd_phase_name Gd8O28Si8
_cell_length_a  13.8700000000
_cell_length_b  5.0730000000
_cell_length_c  8.3300000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pna2_{1}'
_symmetry_Int_Tables_Number  33
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z+1/2
  3  x+1/2,-y+1/2,z
  4  -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
Gd1 1.0000000000 0.1255100000 0.3373000000 0.9983100000  Biso 1.0 Gd 4 a
Gd2 1.0000000000 0.1256400000 0.3373900000 0.5140900000  Biso 1.0 Gd 4 a
O3 1.0000000000 0.2715000000 0.4769000000 0.0876000000  Biso 1.0 O 4 a
O4 1.0000000000 0.2658000000 0.4857000000 0.4130000000  Biso 1.0 O 4 a
O5 1.0000000000 0.3457000000 0.0706000000 0.2465000000  Biso 1.0 O 4 a
O6 1.0000000000 0.4211000000 0.5557000000 0.2448000000  Biso 1.0 O 4 a
O7 1.0000000000 0.5472000000 0.7858000000 0.0866000000  Biso 1.0 O 4 a
O8 1.0000000000 0.5456000000 0.7882000000 0.4206000000  Biso 1.0 O 4 a
O9 1.0000000000 0.5988000000 0.3526000000 0.2560000000  Biso 1.0 O 4 a
Si10 1.0000000000 0.3205000000 0.3744000000 0.2505000000  Biso 1.0 Si 4 a
Si11 1.0000000000 0.5390000000 0.6253000000 0.2498000000  Biso 1.0 Si 4 a
