# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0820
_database_code_depnum_ccdc_archive 'CCDC 1519591'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4957
_cell_length_b                   7.4957
_cell_length_c                   7.4957
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15373 0.15373 0.15373 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14010 0.14010 0.41706 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.996 . S
Zn1 O2 1.979 . S
Zn1 O2 1.979 5 S
Zn1 O2 1.979 9 S
B1 O2 1.472 9 S
B1 O2 1.472 11_565 S
B1 O2 1.472 27 S
B1 O2 1.472 26_554 S
O1 Zn1 1.996 2 S
O1 Zn1 1.996 3 S
O1 Zn1 1.996 4 S
O2 B1 1.472 5 S
O2 B1 1.472 17 S
_chemical_name_systematic        ZBO
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0831
_database_code_depnum_ccdc_archive 'CCDC 1519592'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.3881
_cell_length_b                   7.3881
_cell_length_c                   7.3881
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15206 0.15206 0.15206 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14006 0.14006 0.41516 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.946 . S
Zn1 O2 1.948 . S
Zn1 O2 1.948 5 S
Zn1 O2 1.948 9 S
B1 O2 1.457 9 S
B1 O2 1.457 11_565 S
B1 O2 1.457 27 S
B1 O2 1.457 26_554 S
O1 Zn1 1.946 2 S
O1 Zn1 1.946 3 S
O1 Zn1 1.946 4 S
O2 B1 1.457 5 S
O2 B1 1.457 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0842
_database_code_depnum_ccdc_archive 'CCDC 1519593'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4741
_cell_length_b                   7.4741
_cell_length_c                   7.4741
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15337 0.15337 0.15337 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14007 0.14007 0.41659 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.985 . S
Zn1 O2 1.972 . S
Zn1 O2 1.972 5 S
Zn1 O2 1.972 9 S
B1 O2 1.470 9 S
B1 O2 1.470 11_565 S
B1 O2 1.470 27 S
B1 O2 1.470 26_554 S
O1 Zn1 1.985 2 S
O1 Zn1 1.985 3 S
O1 Zn1 1.985 4 S
O2 B1 1.470 5 S
O2 B1 1.470 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0853
_database_code_depnum_ccdc_archive 'CCDC 1519594'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4690
_cell_length_b                   7.4690
_cell_length_c                   7.4690
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15327 0.15327 0.15327 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14007 0.14007 0.41655 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.983 . S
Zn1 O2 1.971 . S
Zn1 O2 1.971 5 S
Zn1 O2 1.971 9 S
B1 O2 1.469 9 S
B1 O2 1.469 11_565 S
B1 O2 1.469 27 S
B1 O2 1.469 26_554 S
O1 Zn1 1.983 2 S
O1 Zn1 1.983 3 S
O1 Zn1 1.983 4 S
O2 B1 1.469 5 S
O2 B1 1.469 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0864
_database_code_depnum_ccdc_archive 'CCDC 1519595'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4584
_cell_length_b                   7.4584
_cell_length_c                   7.4584
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15286 0.15286 0.15286 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.13994 0.13994 0.41610 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.975 . S
Zn1 O2 1.968 . S
Zn1 O2 1.968 5 S
Zn1 O2 1.968 9 S
B1 O2 1.468 9 S
B1 O2 1.468 11_565 S
B1 O2 1.468 27 S
B1 O2 1.468 26_554 S
O1 Zn1 1.975 2 S
O1 Zn1 1.975 3 S
O1 Zn1 1.975 4 S
O2 B1 1.468 5 S
O2 B1 1.468 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0875
_database_code_depnum_ccdc_archive 'CCDC 1519596'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4414
_cell_length_b                   7.4414
_cell_length_c                   7.4414
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15278 0.15278 0.15278 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.13998 0.13998 0.41592 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.969 . S
Zn1 O2 1.963 . S
Zn1 O2 1.963 5 S
Zn1 O2 1.963 9 S
B1 O2 1.465 9 S
B1 O2 1.465 11_565 S
B1 O2 1.465 27 S
B1 O2 1.465 26_554 S
O1 Zn1 1.969 2 S
O1 Zn1 1.969 3 S
O1 Zn1 1.969 4 S
O2 B1 1.465 5 S
O2 B1 1.465 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0886
_database_code_depnum_ccdc_archive 'CCDC 1519597'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4354
_cell_length_b                   7.4354
_cell_length_c                   7.4354
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15275 0.15275 0.15275 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.13999 0.13999 0.41587 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.967 . S
Zn1 O2 1.961 . S
Zn1 O2 1.961 5 S
Zn1 O2 1.961 9 S
B1 O2 1.464 9 S
B1 O2 1.464 11_565 S
B1 O2 1.464 27 S
B1 O2 1.464 26_554 S
O1 Zn1 1.967 2 S
O1 Zn1 1.967 3 S
O1 Zn1 1.967 4 S
O2 B1 1.464 5 S
O2 B1 1.464 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n0897
_database_code_depnum_ccdc_archive 'CCDC 1519598'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4180
_cell_length_b                   7.4180
_cell_length_c                   7.4180
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15261 0.15261 0.15261 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14004 0.14004 0.41563 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.961 . S
Zn1 O2 1.956 . S
Zn1 O2 1.956 5 S
Zn1 O2 1.956 9 S
B1 O2 1.462 9 S
B1 O2 1.462 11_565 S
B1 O2 1.462 27 S
B1 O2 1.462 26_554 S
O1 Zn1 1.961 2 S
O1 Zn1 1.961 3 S
O1 Zn1 1.961 4 S
O2 B1 1.462 5 S
O2 B1 1.462 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n08b8
_database_code_depnum_ccdc_archive 'CCDC 1519599'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4161
_cell_length_b                   7.4161
_cell_length_c                   7.4161
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15246 0.15246 0.15246 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14005 0.14005 0.41558 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.958 . S
Zn1 O2 1.956 . S
Zn1 O2 1.956 5 S
Zn1 O2 1.956 9 S
B1 O2 1.461 9 S
B1 O2 1.461 11_565 S
B1 O2 1.461 27 S
B1 O2 1.461 26_554 S
O1 Zn1 1.958 2 S
O1 Zn1 1.958 3 S
O1 Zn1 1.958 4 S
O2 B1 1.461 5 S
O2 B1 1.461 17 S
####################################################################### 
# 
# 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_ZBO
_audit_block_doi                 10.5517/ccdc.csd.cc1n08c9
_database_code_depnum_ccdc_archive 'CCDC 1519600'
_audit_update_record             
;
2016-11-28 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-28
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   I-43M
_symmetry_Int_Tables_number      217
_symmetry_cell_setting           cubic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
_cell_length_a                   7.4024
_cell_length_b                   7.4024
_cell_length_c                   7.4024
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
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
Zn1 Zn 0.15224 0.15224 0.15224 0.00000 Uiso 1.00
B1 B 0.25000 0.50000 0.00000 0.00000 Uiso 1.00
O1 O 0.00000 0.00000 0.00000 0.00000 Uiso 1.00
O2 O 0.14006 0.14006 0.41536 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
Zn1 O1 1.952 . S
Zn1 O2 1.952 . S
Zn1 O2 1.952 5 S
Zn1 O2 1.952 9 S
B1 O2 1.459 9 S
B1 O2 1.459 11_565 S
B1 O2 1.459 27 S
B1 O2 1.459 26_554 S
O1 Zn1 1.952 2 S
O1 Zn1 1.952 3 S
O1 Zn1 1.952 4 S
O2 B1 1.459 5 S
O2 B1 1.459 17 S
