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

####################################################################### 
# 
# 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 2094776'
loop_
_audit_author_name
_audit_author_address
'Shuai Zhang'
;SUST
China
;
_audit_update_record             
;
2021-07-06 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;


_chemical_name_common            P14
_cell_length_a                   7.02908
_cell_length_b                   11.43357
_cell_length_c                   16.59315
_cell_angle_alpha                89.99982
_cell_angle_beta                 114.20999
_cell_angle_gamma                89.99863
_space_group_name_H-M_alt        'P 21/c'
_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
P1 1.0 0.533124 0.231276 0.066743 Biso 1.000000 P
P2 1.0 0.672174 0.768724 -0.001554 Biso 1.000000 P
P3 1.0 0.672167 0.731270 0.498457 Biso 1.000000 P
P4 1.0 0.533132 0.268730 0.566732 Biso 1.000000 P
P5 1.0 0.773191 0.083656 0.110242 Biso 1.000000 P
P6 1.0 0.432108 0.916344 0.954947 Biso 1.000000 P
P7 1.0 0.432102 0.583654 0.454952 Biso 1.000000 P
P8 1.0 0.773196 0.416346 0.610237 Biso 1.000000 P
P9 1.0 0.986887 0.123939 0.047901 Biso 1.000000 P
P10 1.0 0.218411 0.876061 0.017288 Biso 1.000000 P
P11 1.0 0.218413 0.623948 0.517296 Biso 1.000000 P
P12 1.0 0.986885 0.376052 0.547893 Biso 1.000000 P
P13 1.0 0.421202 0.923174 0.155317 Biso 1.000000 P
P14 1.0 0.784096 0.076826 0.909872 Biso 1.000000 P
P15 1.0 0.784090 0.423159 0.409865 Biso 1.000000 P
P16 1.0 0.421208 0.576841 0.655324 Biso 1.000000 P
P17 1.0 0.685878 0.794977 0.193412 Biso 1.000000 P
P18 1.0 0.519420 0.205023 0.871777 Biso 1.000000 P
P19 1.0 0.519423 0.294967 0.371785 Biso 1.000000 P
P20 1.0 0.685875 0.705033 0.693404 Biso 1.000000 P
P21 1.0 0.579869 0.657737 0.087462 Biso 1.000000 P
P22 1.0 0.625429 0.342263 0.977727 Biso 1.000000 P
P23 1.0 0.625457 0.157721 0.477729 Biso 1.000000 P
P24 1.0 0.579841 0.842279 0.587461 Biso 1.000000 P
P25 1.0 0.968950 0.319115 0.041148 Biso 1.000000 P
P26 1.0 0.236348 0.680885 0.024041 Biso 1.000000 P
P27 1.0 0.236326 0.819123 0.524035 Biso 1.000000 P
P28 1.0 0.968973 0.180877 0.541154 Biso 1.000000 P
P29 1.0 0.136618 0.664276 0.135872 Biso 1.000000 P
P30 1.0 0.068681 0.335724 0.929317 Biso 1.000000 P
P31 1.0 0.068715 0.164268 0.429322 Biso 1.000000 P
P32 1.0 0.136583 0.835732 0.635867 Biso 1.000000 P
P33 1.0 0.153298 0.852064 0.179032 Biso 1.000000 P
P34 1.0 0.052000 0.147936 0.886157 Biso 1.000000 P
P35 1.0 0.052027 0.352061 0.386158 Biso 1.000000 P
P36 1.0 0.153271 0.647939 0.679032 Biso 1.000000 P
P37 1.0 0.960567 0.326438 0.241453 Biso 1.000000 P
P38 1.0 0.244731 0.673562 0.823736 Biso 1.000000 P
P39 1.0 0.244763 0.826454 0.323735 Biso 1.000000 P
P40 1.0 0.960536 0.173546 0.741454 Biso 1.000000 P
P41 1.0 -0.000206 0.131426 0.243916 Biso 1.000000 P
P42 1.0 0.205505 0.868574 0.821273 Biso 1.000000 P
P43 1.0 0.205505 0.631447 0.321276 Biso 1.000000 P
P44 1.0 -0.000207 0.368553 0.743913 Biso 1.000000 P
P45 1.0 0.389818 0.576814 0.248007 Biso 1.000000 P
P46 1.0 0.815480 0.423186 0.817182 Biso 1.000000 P
P47 1.0 0.815486 0.076821 0.317190 Biso 1.000000 P
P48 1.0 0.389812 0.923179 0.747999 Biso 1.000000 P
P49 1.0 0.528975 0.190857 0.259453 Biso 1.000000 P
P50 1.0 0.676323 0.809143 0.805736 Biso 1.000000 P
P51 1.0 0.676339 0.690837 0.305730 Biso 1.000000 P
P52 1.0 0.528959 0.309163 0.759459 Biso 1.000000 P
P53 1.0 0.617088 0.334899 0.189380 Biso 1.000000 P
P54 1.0 0.588210 0.665101 0.875809 Biso 1.000000 P
P55 1.0 0.588250 0.834877 0.375815 Biso 1.000000 P
P56 1.0 0.617048 0.165123 0.689374 Biso 1.000000 P
_chemical_name_systematic        'crystal red phosphorus'
_exptl_crystal_colour            'orange red'
_exptl_crystal_description       microbelts
_diffrn_ambient_temperature      823.15
_chemical_formula_moiety         '[P12(4)]P2['
_chemical_formula_sum            '[P12(4)]P2['
_exptl_crystal_recrystallization_method 'phase transition'
_chemical_properties_physical    Moisture-sensitive
_exptl_crystal_preparation       Luminescent
_refine_special_details          'XRD refinement'
