# 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:  Nd2O7Si2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A2B7C2_oP44_19_2a_7a_2a-001

# Last updated on 2024/08/01

data_Nd8O28Si8
_pd_phase_name Nd8O28Si8
_cell_length_a  5.3940000000
_cell_length_b  12.9500000000
_cell_length_c  8.7200000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
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
Nd1 1.0000000000 0.9973600000 0.2313600000 0.4432500000  Biso 1.0 Nd 4 a
Nd2 1.0000000000 0.5071900000 0.4096000000 0.6461700000  Biso 1.0 Nd 4 a
O3 1.0000000000 0.4710000000 0.4340000000 0.1758000000  Biso 1.0 O 4 a
O4 1.0000000000 0.2500000000 0.2593000000 0.1696000000  Biso 1.0 O 4 a
O5 1.0000000000 0.7232000000 0.2487000000 0.2325000000  Biso 1.0 O 4 a
O6 1.0000000000 0.3947000000 0.3301000000 0.4291000000  Biso 1.0 O 4 a
O7 1.0000000000 0.2534000000 0.4205000000 0.8930000000  Biso 1.0 O 4 a
O8 1.0000000000 0.7302000000 0.4485000000 0.9074000000  Biso 1.0 O 4 a
O9 1.0000000000 0.3970000000 0.5941000000 0.9950000000  Biso 1.0 O 4 a
Si10 1.0000000000 0.4770000000 0.3218000000 0.2494000000  Biso 1.0 Si 4 a
Si11 1.0000000000 0.4767000000 0.4748000000 0.9982000000  Biso 1.0 Si 4 a
