# 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:  beta-KYB2F7

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7BC2_mP10_3_a3e_b_e-001 

# Last updated on 2026/05/09

data_beta-KYB2F7
_pd_phase_name beta-KYB2F7
_cell_length_a  6.5280000000
_cell_length_b  4.2170000000
_cell_length_c  10.9897598709
_cell_angle_alpha  90.0000000000
_cell_angle_beta  148.2271533827
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2'
_symmetry_Int_Tables_Number  3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-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
F1  1.0000000000 0.0000000000 0.8928000000 0.0000000000  Biso 1.0 F  1 a
K2  1.0000000000 0.0000000000 0.5000000000 0.5000000000  Biso 1.0 K  1 b
F3  1.0000000000 0.3720000000 0.0000000000 0.8290000000  Biso 1.0 F  2 e
F4  1.0000000000 0.6220000000 0.0000000000 0.4546000000  Biso 1.0 F  2 e
F5  1.0000000000 0.0044000000 0.5000000000 0.7932000000  Biso 1.0 F  2 e
Yb6 1.0000000000 0.0010000000 0.0000000000 0.8088000000  Biso 1.0 Yb 2 e
