# 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:  AgMnO4 silver permangnate H09

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ABC4_mP24_14_e_e_4e-001

# Last updated on 2024/08/01

data_Ag4Mn4O16
_pd_phase_name Ag4Mn4O16
_cell_length_a  7.1199984673
_cell_length_b  8.3300000000
_cell_length_c  9.2551118729
_cell_angle_alpha  90.0000000000
_cell_angle_beta  142.4883209574
_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
Ag1 1.0000000000 0.4086000000 0.4672000000 0.2439000000  Biso 1.0 Ag 4 e
Mn2 1.0000000000 0.9181000000 0.3132000000 0.2573000000  Biso 1.0 Mn 4 e
O3 1.0000000000 0.9750000000 0.1508000000 0.3829000000  Biso 1.0 O 4 e
O4 1.0000000000 0.7014000000 0.2767000000 0.9861000000  Biso 1.0 O 4 e
O5 1.0000000000 0.2489000000 0.3810000000 0.4044000000  Biso 1.0 O 4 e
O6 1.0000000000 0.7483000000 0.4410000000 0.2520000000  Biso 1.0 O 4 e
