# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021


#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'Ag4N24 - primitive cell'
_cell_length_a                         9.707103
_cell_length_b                         12.097535
_cell_length_c                         3.341592
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           392.409897
_space_group_name_H-M_alt              'P 21 21 2'
_space_group_IT_number                 18

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-x, -y, z'
   '-x+1/2, y+1/2, -z'
   'x+1/2, -y+1/2, -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
   Ag1        1.0     0.821714     0.090735     0.007253    Biso  1.000000 Ag
   N1         1.0     0.716003     0.244834     0.119970    Biso  1.000000 N
   N2         1.0     0.762559     0.342881     0.007418    Biso  1.000000 N
   N3         1.0     0.586785     0.253750     0.250397    Biso  1.000000 N
   N4         1.0     0.661395     0.412872     0.069205    Biso  1.000000 N
   N5         1.0     0.552842     0.358215     0.219676    Biso  1.000000 N
   N21        1.0     0.054713     0.487636     0.474794    Biso  1.000000 N
