# 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:  F7K2Nb K62

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B2C_mP40_14_7e_2e_e-001

# Last updated on 2024/08/01

data_F28K8Nb4
_pd_phase_name F28K8Nb4
_cell_length_a  10.3286466200
_cell_length_b  12.6930000000
_cell_length_c  8.5150000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  145.5283321704
_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
F1 1.0000000000 0.0463000000 0.7569000000 0.8469000000  Biso 1.0 F 4 e
F2 1.0000000000 0.4573000000 0.7433000000 0.2459000000  Biso 1.0 F 4 e
F3 1.0000000000 0.0448000000 0.8928000000 0.6568000000  Biso 1.0 F 4 e
F4 1.0000000000 0.4599000000 0.8893000000 0.0498000000  Biso 1.0 F 4 e
F5 1.0000000000 0.2166000000 0.0207000000 0.0007000000  Biso 1.0 F 4 e
F6 1.0000000000 0.1875000000 0.8784000000 0.1812000000  Biso 1.0 F 4 e
F7 1.0000000000 0.5572000000 0.9208000000 0.4255000000  Biso 1.0 F 4 e
K8 1.0000000000 0.2397000000 0.5596000000 0.0564000000  Biso 1.0 K 4 e
K9 1.0000000000 0.7626000000 0.7155000000 0.3180000000  Biso 1.0 K 4 e
Nb10 1.0000000000 0.2718000000 0.8712000000 0.0489000000  Biso 1.0 Nb 4 e
