# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_B5N5
_database_code_depnum_ccdc_archive 'CCDC 1995316'
loop_
_audit_author_name
_audit_author_address
'Dong Zhang'
;Institute of Semiconductors, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-04-06 deposited with the CCDC.	2020-05-20 downloaded from the CCDC.
;
_audit_creation_date             2020-04-06
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   P-6M2
_symmetry_Int_Tables_number      187
_symmetry_cell_setting           hexagonal
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x,y,-z
-y,x-y,-z
-x+y,-x,-z
-y,-x,z
-x+y,y,z
x,x-y,z
-y,-x,-z
-x+y,y,-z
x,x-y,-z
_cell_length_a                   4.8748
_cell_length_b                   4.8748
_cell_length_c                   12.6099
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
B1 B 0.33333 0.66667 0.41854 0.01267 Uiso 1.00
B3 B 0.35280 0.17640 0.50000 0.01267 Uiso 1.00
N1 N 0.66667 0.33333 0.43194 0.01267 Uiso 1.00
N3 N 0.18625 0.81375 0.50000 0.01267 Uiso 1.00
_chemical_name_systematic        B5N5
_exptl_crystal_preparation       'Magnetic properties'
