# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_VESTA_phase_1
_database_code_depnum_ccdc_archive 'CCDC 2144155'
loop_
_audit_author_name
_audit_author_address
'Zhanbin Qi'
;tate Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics 
China
;
_audit_update_record             
;
2022-01-24 deposited with the CCDC.	2022-07-14 downloaded from the CCDC.
;


_chemical_name_common            P1(1)
_cell_length_a                   3.11849
_cell_length_b                   4.78653
_cell_length_c                   5.21184
_cell_angle_alpha                88.53580
_cell_angle_beta                 87.50027
_cell_angle_gamma                87.28643
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'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
Al1 1.0 0.390939 0.718417 0.735696 Biso 1.000000 Al
Al2 1.0 0.903272 0.731417 0.219953 Biso 1.000000 Al
Al3 1.0 0.385784 0.229376 0.394012 Biso 1.000000 Al
B1 1.0 0.000495 0.252687 0.924827 Biso 1.000000 B
N1 1.0 0.898840 0.566311 0.896422 Biso 1.000000 N
N2 1.0 0.265307 0.105215 0.733687 Biso 1.000000 N
N3 1.0 0.401248 0.622867 0.391945 Biso 1.000000 N
N4 1.0 0.908414 0.127000 0.193921 Biso 1.000000 N
####################################################################### 
# 
# 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_VESTA_phase_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2144156'
loop_
_audit_author_name
_audit_author_address
'Zhanbin Qi'
;tate Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics 
China
;
_audit_update_record             
;
2022-01-24 deposited with the CCDC.	2022-07-14 downloaded from the CCDC.
;


_chemical_name_common            Cmc2_1(36)
_cell_length_a                   3.20474
_cell_length_b                   10.35113
_cell_length_c                   4.66977
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'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
Al1 1.0 -0.000000 0.210755 0.877563 Biso 1.000000 Al
Al2 1.0 0.500000 0.289245 0.377563 Biso 1.000000 Al
Al3 1.0 0.500000 0.710755 0.877563 Biso 1.000000 Al
Al4 1.0 0.000000 0.789245 0.377563 Biso 1.000000 Al
B1 1.0 0.500000 0.441041 0.859321 Biso 1.000000 B
B2 1.0 0.500000 0.558959 0.359321 Biso 1.000000 B
B3 1.0 -0.000000 0.941041 0.859321 Biso 1.000000 B
B4 1.0 -0.000000 0.058959 0.359321 Biso 1.000000 B
N1 1.0 0.500000 0.304062 0.974876 Biso 1.000000 N
N2 1.0 -0.000000 0.195938 0.474876 Biso 1.000000 N
N3 1.0 0.500000 0.449394 0.548574 Biso 1.000000 N
N4 1.0 0.500000 0.550606 0.048574 Biso 1.000000 N
N5 1.0 -0.000000 0.804062 0.974876 Biso 1.000000 N
N6 1.0 0.500000 0.695938 0.474876 Biso 1.000000 N
N7 1.0 -0.000000 0.949394 0.548574 Biso 1.000000 N
N8 1.0 -0.000000 0.050606 0.048574 Biso 1.000000 N
####################################################################### 
# 
# 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_VESTA_phase_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2144157'
loop_
_audit_author_name
_audit_author_address
'Zhanbin Qi'
;tate Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics 
China
;
_audit_update_record             
;
2022-01-24 deposited with the CCDC.	2022-07-14 downloaded from the CCDC.
;


_chemical_name_common            P1(1)
_cell_length_a                   3.23789
_cell_length_b                   4.50445
_cell_length_c                   5.15019
_cell_angle_alpha                89.94261
_cell_angle_beta                 76.55289
_cell_angle_gamma                80.44454
_space_group_name_H-M_alt        'P 1'
_space_group_IT_number           1

loop_
_space_group_symop_operation_xyz
'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
Al1 1.0 0.151609 0.512771 0.127284 Biso 1.000000 Al
B1 1.0 0.437282 0.973253 0.319839 Biso 1.000000 B
B2 1.0 0.358551 0.976272 0.817771 Biso 1.000000 B
B3 1.0 0.430334 0.477939 0.570909 Biso 1.000000 B
N1 1.0 0.332043 0.106854 0.084310 Biso 1.000000 N
N2 1.0 0.554547 0.633385 0.314404 Biso 1.000000 N
N3 1.0 0.412655 0.150695 0.568149 Biso 1.000000 N
N4 1.0 0.305498 0.666551 0.803065 Biso 1.000000 N
