# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_F_Colmenero_uranophane_beta
_database_code_depnum_ccdc_archive 'CCDC 1884185'
loop_
_audit_author_name
_audit_author_address
'Francisco Colmenero Ruiz'
;Instituto de Estructura de la Materia - Consejo Superior de Investigaciones Cient?ficas
Spain
;
_audit_update_record             
;
2018-12-10 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_audit_creation_date             2010-04-11
_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                   6.6499
_cell_length_b                   15.7633
_cell_length_c                   14.0502
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.4717
_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
Ca1 Ca 0.19455 0.48833 0.30223 0.00000 Uiso 1.00
Si2 Si 0.20749 0.28754 -0.00529 0.00000 Uiso 1.00
Si3 Si 0.53896 0.27968 0.24300 0.00000 Uiso 1.00
U4 U 0.00576 0.24144 0.24138 0.00000 Uiso 1.00
U5 U 0.73986 0.25259 -0.00892 0.00000 Uiso 1.00
O6 O 0.03999 0.62783 0.27426 0.00000 Uiso 1.00
O7 O 0.03809 0.35603 0.25586 0.00000 Uiso 1.00
O8 O 0.05628 0.22289 0.40226 0.00000 Uiso 1.00
O9 O 0.05612 0.25881 0.08058 0.00000 Uiso 1.00
O10 O 0.23049 0.63795 0.50376 0.00000 Uiso 1.00
O11 O 0.27986 0.63136 0.01539 0.00000 Uiso 1.00
O12 O 0.30353 0.75508 0.17099 0.00000 Uiso 1.00
O13 O 0.33884 0.22190 0.23869 0.00000 Uiso 1.00
O14 O 0.40970 0.23096 -0.01468 0.00000 Uiso 1.00
O15 O 0.68922 0.26620 0.15245 0.00000 Uiso 1.00
O16 O 0.27466 0.38787 0.00996 0.00000 Uiso 1.00
O17 O 0.47288 0.38188 0.25281 0.00000 Uiso 1.00
H18 H 0.21316 0.42207 0.06207 0.00000 Uiso 1.00
H19 H 0.59223 0.41676 0.24790 0.00000 Uiso 1.00
O20 O 0.27483 0.43005 0.44797 0.00000 Uiso 1.00
O21 O 0.46798 0.05789 0.22487 0.00000 Uiso 1.00
O22 O 0.13746 0.99531 0.11740 0.00000 Uiso 1.00
O23 O 0.13201 0.50021 0.13068 0.00000 Uiso 1.00
O24 O 0.72618 0.49688 0.12106 0.00000 Uiso 1.00
H25 H 0.21146 0.44808 0.50750 0.00000 Uiso 1.00
H26 H 0.33621 0.37386 0.46066 0.00000 Uiso 1.00
H27 H 0.41256 0.03869 0.28680 0.00000 Uiso 1.00
H28 H 0.42916 0.11897 0.22265 0.00000 Uiso 1.00
H29 H 0.25637 1.01658 0.15253 0.00000 Uiso 1.00
H30 H 0.17840 0.94241 0.08497 0.00000 Uiso 1.00
H31 H -0.01848 0.49958 0.12647 0.00000 Uiso 1.00
H32 H 0.17612 0.55199 0.09740 0.00000 Uiso 1.00
H33 H 0.69526 0.44559 0.08369 0.00000 Uiso 1.00
H34 H 0.71265 0.54434 0.07282 0.00000 Uiso 1.00
