# 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:  Er2O7Si2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B7C2_mP22_14_e_a3e_e-001

# Last updated on 2024/08/01

data_Er4O14Si4
_pd_phase_name Er4O14Si4
_cell_length_a  4.6830000000
_cell_length_b  10.7900000000
_cell_length_c  5.5560000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  96.0000000000
_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
O2 1.0000000000 0.0000000000 -0.0000000000 0.0000000000  Biso 1.0 O 2 a
Er1 1.0000000000 0.3882900000 0.1506600000 0.5931800000  Biso 1.0 Er 4 e
O3 1.0000000000 0.7052000000 0.0514000000 0.3653000000  Biso 1.0 O 4 e
O4 1.0000000000 0.6235000000 0.1809000000 0.9583000000  Biso 1.0 O 4 e
O5 1.0000000000 0.1184000000 0.2016000000 0.2522000000  Biso 1.0 O 4 e
Si6 1.0000000000 0.8601000000 0.1129000000 0.1442000000  Biso 1.0 Si 4 e
