# 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:  alpha-KHo2F7

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B2C_mC80_12_g5i4j_hij_2i-001 

# Last updated on 2026/05/11

data_alpha-KHo2F7
_pd_phase_name alpha-KHo2F7
_cell_length_a  14.2870000000
_cell_length_b  8.0040000000
_cell_length_c  11.9500000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  125.3300000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2/m'
_symmetry_Int_Tables_Number  12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  -x,-y,-z
  4  x,-y,z
  5  x+1/2,y+1/2,z
  6  -x+1/2,y+1/2,-z
  7  -x+1/2,-y+1/2,-z
  8  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
F1   1.0000000000  0.0000000000 0.8213000000 0.0000000000 Biso 1.0 F  4 g
Ho11 1.0000000000  0.0000000000 0.7407500000 0.5000000000 Biso 1.0 Ho 4 h
F2   1.0000000000  0.8955000000 0.0000000000 0.7494000000 Biso 1.0 F  4 i
F3   1.0000000000  0.3954000000 0.0000000000 0.4257000000 Biso 1.0 F  4 i
F4   1.0000000000  0.8867000000 0.0000000000 0.1179000000 Biso 1.0 F  4 i
F5   1.0000000000  0.4956000000 0.0000000000 0.7632000000 Biso 1.0 F  4 i
F6   1.0000000000  0.8951000000 0.0000000000 0.4128000000 Biso 1.0 F  4 i
Ho12 1.0000000000  0.7594600000 0.0000000000 0.1784500000 Biso 1.0 Ho 4 i
K14  1.0000000000  0.2338000000 0.0000000000 0.1526000000 Biso 1.0 K  4 i
K15  1.0000000000  0.2621000000 0.0000000000 0.5195000000 Biso 1.0 K  4 i
F7   1.0000000000  0.1018000000 0.2348000000 0.4160000000 Biso 1.0 F  8 j
F8   1.0000000000  0.1170000000 0.2361000000 0.7369000000 Biso 1.0 F  8 j
F9   1.0000000000  0.1632000000 0.3331000000 0.9999000000 Biso 1.0 F  8 j
F10  1.0000000000  0.1742000000 0.3294000000 0.2405000000 Biso 1.0 F  8 j
Ho13 1.0000000000  0.0237000000 0.7627500000 0.1818500000 Biso 1.0 Ho 8 j
