# 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:  Nd4Co3O10

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/ A3B4C10_mP68_14_ab2e_4e_10e-001 

# Last updated on 2024/10/21

data_Nd4Co3O10
_pd_phase_name Nd4Co3O10
_cell_length_a  27.9244679700
_cell_length_b  5.4548000000
_cell_length_c  5.3674999977
_cell_angle_alpha  90.0000000000
_cell_angle_beta  100.7699076213
_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
Co1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Co 2 a
Co2 1.0000000000 0.5000000000 0.0000000000 0.0000000000  Biso 1.0 Co 2 b
Co3 1.0000000000 0.8578000000 0.9960000000 0.8578000000  Biso 1.0 Co 4 e
Co4 1.0000000000 0.3588000000 0.0040000000 0.8458000000  Biso 1.0 Co 4 e
Nd5 1.0000000000 0.7003000000 0.0220000000 0.6963000000  Biso 1.0 Nd 4 e
Nd6 1.0000000000 0.1989000000 0.0110000000 0.6939000000  Biso 1.0 Nd 4 e
Nd7 1.0000000000 0.5688000000 0.0180000000 0.5988000000  Biso 1.0 Nd 4 e
Nd8 1.0000000000 0.0668000000 0.9950000000 0.5918000000  Biso 1.0 Nd 4 e
O9  1.0000000000 0.5099000000 0.2850000000 0.7939000000  Biso 1.0 O  4 e
O10 1.0000000000 0.0090000000 0.2010000000 0.3060000000  Biso 1.0 O  4 e
O11 1.0000000000 0.9291000000 0.0780000000 0.9401000000  Biso 1.0 O  4 e
O12 1.0000000000 0.4296000000 0.0660000000 0.9286000000  Biso 1.0 O  4 e
O13 1.0000000000 0.8504000000 0.2470000000 0.1074000000  Biso 1.0 O  4 e
O14 1.0000000000 0.3457000000 0.2540000000 0.0867000000  Biso 1.0 O  4 e
O15 1.0000000000 0.7836000000 0.9350000000 0.8026000000  Biso 1.0 O  4 e
O16 1.0000000000 0.2854000000 0.9590000000 0.7584000000  Biso 1.0 O  4 e
O17 1.0000000000 0.1320000000 0.2470000000 0.8830000000  Biso 1.0 O  4 e
O18 1.0000000000 0.6331000000 0.2610000000 0.9081000000  Biso 1.0 O  4 e
