# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_kasolite_Colmenero_2019
_database_code_depnum_ccdc_archive 'CCDC 1907046'
loop_
_audit_author_name
_audit_author_address
'Francisco Colmenero'
;Instituto de Estructura de la Materia - CSIC
Spain
;
_audit_update_record             
;
2019-03-31 deposited with the CCDC.	2019-05-10 downloaded from the CCDC.
;
_audit_creation_date             2019-03-31
_audit_creation_method           'Materials Studio'
_symmetry_space_group_name_H-M   P21/C
_symmetry_Int_Tables_number      14
_symmetry_cell_setting           monoclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y+1/2,z+1/2
_cell_length_a                   6.7035
_cell_length_b                   6.8325
_cell_length_c                   13.1795
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.9210
_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
Pb Pb 0.05460 0.05368 0.37270 0.00000 Uiso 1.00
U U 0.47978 0.22481 0.18214 0.00000 Uiso 1.00
Si Si 0.40857 0.71073 0.07241 0.00000 Uiso 1.00
O1 O 0.20772 0.27918 0.17165 0.00000 Uiso 1.00
O2 O 0.24194 0.67858 0.29900 0.00000 Uiso 1.00
O3 O 0.17823 0.63114 0.02472 0.00000 Uiso 1.00
O4 O -0.53994 0.25149 0.01674 0.00000 Uiso 1.00
O5 O 0.53084 0.55391 0.16174 0.00000 Uiso 1.00
O6 O 0.42106 0.90251 0.15058 0.00000 Uiso 1.00
O7 O -0.06335 0.91782 0.09337 0.00000 Uiso 1.00
H1 H -0.12650 0.92942 0.01981 0.00000 Uiso 1.00
H2 H 0.86235 1.01297 0.12946 0.00000 Uiso 1.00
_chemical_name_systematic        kasolite
_chemical_name_common            'Lead uranyl silicate monohydrate'
_chemical_formula_sum            'Pb (UO2)(SiO4 ) . H2O'
