# 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:  Na2Mn3O7

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B2C7_aP24_2_3i_2i_7i-001 

# Last updated on 2025/04/07

data_Na2Mn3O7
_pd_phase_name Na2Mn3O7
_cell_length_a  6.6190900000
_cell_length_b  6.8396200000
_cell_length_c  7.5282000000
_cell_angle_alpha  105.7735000000
_cell_angle_beta  106.8409000000
_cell_angle_gamma  111.6316000000
_symmetry_space_group_name_H-M  'P-1'
_symmetry_Int_Tables_Number  2
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
Mn1 1.0000000000 0.0568000000 0.0922000000 0.2316000000  Biso 1.0 Mn 2 i
Mn2 1.0000000000 0.3223000000 0.3582000000 0.0731000000  Biso 1.0 Mn 2 i
Mn3 1.0000000000 0.1995000000 0.2169000000 0.6455000000  Biso 1.0 Mn 2 i
Na4 1.0000000000 0.2520000000 0.6909000000 0.4912000000  Biso 1.0 Na 2 i
Na5 1.0000000000 0.3351000000 0.8264000000 0.0695000000  Biso 1.0 Na 2 i
O6  1.0000000000 0.4060000000 0.2185000000 0.2695000000  Biso 1.0 O  2 i
O7  1.0000000000 0.7276000000 0.9440000000 0.1729000000  Biso 1.0 O  2 i
O8  1.0000000000 0.0380000000 0.1972000000 0.0273000000  Biso 1.0 O  2 i
O9  1.0000000000 0.1467000000 0.3526000000 0.4564000000  Biso 1.0 O  2 i
O10 1.0000000000 0.6829000000 0.5294000000 0.1275000000  Biso 1.0 O  2 i
O11 1.0000000000 0.1080000000 0.9483000000 0.4054000000  Biso 1.0 O  2 i
O12 1.0000000000 0.4422000000 0.6271000000 0.3031000000  Biso 1.0 O  2 i
