# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Li3 N'
 
loop_
_publ_author_name
 'Duncan H. Gregory'
 'Paul M. O'Meara'
 'Alexandra G. Gordon'
 'Jason P. Hodges'
 'Simine Short'
 'James D. Jorgensen'
_journal_name_full
;
Chemistry of Materials
;
_journal_volume 14
_journal_year 2002
_journal_page_first 2063
_journal_page_last 2070
_publ_Section_title
;
 Structure of Lithium Nitride and Transition-Metal-Doped Derivatives, Li$_{3-x-y}$M$_x$N (M = Ni, Cu):  A Powder Neutron Diffraction Study
;

# Found in  http://materials.springer.com/lb/docs/sm_lbs_978-3-540-32682-3_554}

_aflow_proto 'A3B_hP4_191_bc_a' 
_aflow_params 'a,c/a' 
_aflow_params_values '3.6576,1.05902777778' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hP4' 

_symmetry_space_group_name_Hall "-P 6 2"
_symmetry_space_group_name_H-M "P 6/m m m"
_symmetry_Int_Tables_number 191

_cell_length_a    3.65760
_cell_length_b    3.65760
_cell_length_c    3.87350
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 x-y,-y,-z
8 x,x-y,-z
9 y,x,-z
10 -x+y,y,-z
11 -x,-x+y,-z
12 -y,-x,-z
13 -x,-y,-z
14 -x+y,-x,-z
15 y,-x+y,-z
16 x,y,-z
17 x-y,x,-z
18 -y,x-y,-z
19 -x+y,y,z
20 -x,-x+y,z
21 -y,-x,z
22 x-y,-y,z
23 x,x-y,z
24 y,x,z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1  N    1 a 0.00000 0.00000 0.00000 1.00000
Li1 Li   1 b 0.00000 0.00000 0.50000 1.00000
Li2 Li   2 c 0.33333 0.66667 0.00000 1.00000
