# 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:  H5K2O8P2

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A5B2C8D2_mP68_4_10a_4a_16a_4a-001

# Last updated on 2024/08/01

data_H20K8O32P8
_pd_phase_name H20K8O32P8
_cell_length_a  7.4400000000
_cell_length_b  14.5182000000
_cell_length_c  7.6020000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  103.1070000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}'
_symmetry_Int_Tables_Number  4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,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
H10 1.0000000000 0.2930000000 0.9750000000 0.7890000000  Biso 1.0 H 2 a
H1 1.0000000000 0.7990000000 0.1350000000 0.0570000000  Biso 1.0 H 2 a
H2 1.0000000000 0.6580000000 0.1050000000 0.7780000000  Biso 1.0 H 2 a
H3 1.0000000000 0.7100000000 0.2820000000 0.4310000000  Biso 1.0 H 2 a
H4 1.0000000000 0.8780000000 0.3110000000 0.7380000000  Biso 1.0 H 2 a
H5 1.0000000000 0.2810000000 0.2850000000 0.5610000000  Biso 1.0 H 2 a
H6 1.0000000000 0.1350000000 0.3300000000 0.2720000000  Biso 1.0 H 2 a
H7 1.0000000000 0.1930000000 0.1280000000 0.9420000000  Biso 1.0 H 2 a
H8 1.0000000000 0.3370000000 0.1000000000 0.2260000000  Biso 1.0 H 2 a
H9 1.0000000000 0.7640000000 0.9770000000 0.2420000000  Biso 1.0 H 2 a
K11 1.0000000000 0.9946000000 0.0000000000 0.9906000000  Biso 1.0 K 2 a
K12 1.0000000000 0.4979000000 0.2875600000 0.9969400000  Biso 1.0 K 2 a
K13 1.0000000000 0.5058000000 0.4455700000 0.5111000000  Biso 1.0 K 2 a
K14 1.0000000000 0.0013000000 0.1573800000 0.5014200000  Biso 1.0 K 2 a
O15 1.0000000000 0.1584000000 0.3219000000 0.1213000000  Biso 1.0 O 2 a
O16 1.0000000000 0.8455000000 0.3231000000 0.8815000000  Biso 1.0 O 2 a
O17 1.0000000000 0.9144000000 0.1946000000 0.1352000000  Biso 1.0 O 2 a
O18 1.0000000000 0.0844000000 0.1940000000 0.8677000000  Biso 1.0 O 2 a
O19 1.0000000000 0.6555000000 0.0881000000 0.9531000000  Biso 1.0 O 2 a
O20 1.0000000000 0.3387000000 0.0837000000 0.0465000000  Biso 1.0 O 2 a
O21 1.0000000000 0.5857000000 0.9655000000 0.1580000000  Biso 1.0 O 2 a
O22 1.0000000000 0.4215000000 0.9659000000 0.8382000000  Biso 1.0 O 2 a
O23 1.0000000000 0.5954000000 0.2450000000 0.3602000000  Biso 1.0 O 2 a
O24 1.0000000000 0.4035000000 0.2463000000 0.6365000000  Biso 1.0 O 2 a
O25 1.0000000000 0.6627000000 0.1226000000 0.6200000000  Biso 1.0 O 2 a
O26 1.0000000000 0.3331000000 0.1236000000 0.3781000000  Biso 1.0 O 2 a
O27 1.0000000000 0.0760000000 0.4804000000 0.6671000000  Biso 1.0 O 2 a
O28 1.0000000000 0.9150000000 0.4809000000 0.3354000000  Biso 1.0 O 2 a
O29 1.0000000000 0.8540000000 0.3538000000 0.5409000000  Biso 1.0 O 2 a
O30 1.0000000000 0.1526000000 0.3585000000 0.4601000000  Biso 1.0 O 2 a
P31 1.0000000000 0.0014000000 0.2585300000 0.0032000000  Biso 1.0 P 2 a
P32 1.0000000000 0.5020000000 0.0291300000 0.0033000000  Biso 1.0 P 2 a
P33 1.0000000000 0.4997000000 0.1865500000 0.5003000000  Biso 1.0 P 2 a
P34 1.0000000000 0.9969000000 0.4165200000 0.4938500000  Biso 1.0 P 2 a
