# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_SHf
_database_code_depnum_ccdc_archive 'CCDC 2177306'
loop_
_audit_author_name
_audit_author_address
'Lidong Dai'
;Institute of Geochemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-06 deposited with the CCDC.	2022-06-28 downloaded from the CCDC.
;
_audit_creation_method           pos2cif.pl
_cell_length_a                   3.2664
_cell_length_b                   3.2664
_cell_length_c                   8.09070
#_cell_length_a                   3.26640523367913
#_cell_length_b                   3.26640523367913
#_cell_length_c                   8.0907005117781
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_symmetry_space_group_H-M        P1
_symmetry_Int_Tables_number      1
_symmetry_cell_setting           triclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1 S 1.0000 -0.00000 0.00000 0.34041 0.0000
S2 S 1.0000 0.50000 0.50000 0.84041 0.0000
S3 S 1.0000 0.00000 0.00000 0.65959 0.0000
S4 S 1.0000 0.50000 0.50000 0.15959 0.0000
Hf1 Hf 1.0000 0.00000 -0.00000 -0.00000 0.0000
Hf2 Hf 1.0000 0.50000 0.50000 0.50000 0.0000
####################################################################### 
# 
# 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_SHf_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2177305'
loop_
_audit_author_name
_audit_author_address
'Lidong Dai'
;Institute of Geochemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-06-06 deposited with the CCDC.	2022-06-28 downloaded from the CCDC.
;
_audit_creation_method           pos2cif.pl
_cell_length_a                   3.5624
_cell_length_b                   3.5624
_cell_length_c                   5.5898
#_cell_length_a                   3.56238587266908
#_cell_length_b                   3.56238587266908
#_cell_length_c                   5.58976166713098
_cell_angle_alpha                90
_cell_angle_beta                 90
#_cell_angle_gamma                119.999982674979
_cell_angle_gamma                119.9999
_symmetry_space_group_H-M        P1
_symmetry_Int_Tables_number      1
_symmetry_cell_setting           triclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1 S 1.0000 0.66667 0.33333 0.73877 0.0000
S2 S 1.0000 0.33333 0.66667 0.26123 0.0000
Hf1 Hf 1.0000 -0.00000 -0.00000 -0.00000 0.0000
