# 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:  O7Si2Y2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4BC_mP24_14_4e_e_e-001

# Last updated on 2024/08/02

data_Si2Y2O7
_pd_phase_name Si2Y2O7
_cell_length_a  4.6916000000
_cell_length_b  10.8521000000
_cell_length_c  5.5872000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  96.0400000000
_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
O1  1.0000000000 0.2067000000 0.0502000000 0.8642000000  Biso 1.0 O  4 e
O2  1.0000000000 0.1330000000 0.1822000000 0.4629000000  Biso 1.0 O  4 e
O3  0.5000000000 0.4660000000 0.9894000000 0.5024000000  Biso 1.0 O  4 e
O4  1.0000000000 0.6208000000 0.2017000000 0.7487000000  Biso 1.0 O  4 e
Si5 1.0000000000 0.3555000000 0.1136000000 0.6304000000  Biso 1.0 Si 4 e
Y6  1.0000000000 0.1096000000 0.8495000000 0.9059000000  Biso 1.0 Y  4 e
