#------------------------------------------------------------------------------
#$Date: 2020-01-11 06:38:20 +0200 (Sat, 11 Jan 2020) $
#$Revision: 246727 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/69/1556996.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1556996
loop_
_publ_author_name
'Plasil, J.'
'Fejfarova, K.'
'Cejka, J.'
'Dusek, M.'
'Skoda, R.'
'Sejkora, J.'
_publ_section_title
;
 Revision of the crystal structure and chemical formula of haiweeite,
 Ca(UO2)2(Si5O12)(OH)2*6H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              718
_journal_page_last               723
_journal_paper_doi               10.2138/am.2013.4284
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Ca H14 O24 Si5 U2'
_chemical_name_common            Ca(UO2)2(Si5O12)(OH)2*6H2O
_chemical_name_mineral           haiweeite
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.3000(5)
_cell_length_b                   14.2331(3)
_cell_length_c                   17.9192(5)
_cell_volume                     4667.3(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            haiweeite.cif
_cod_data_source_block           haiweeite
_cod_original_formula_sum        'Ca1 U2 Si5 O24 H14'
_cod_database_code               1556996
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y+1/2,z+1/2
4 x+1/2,y+1/2,-z+1/2
5 -x,y,-z+1/2
6 x,-y,z+1/2
7 x+1/2,-y+1/2,-z
8 -x+1/2,y+1/2,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_U_iso_or_equiv
_atom_site_type_symbol
U1 1.0 0.24799(2) 0.12566(5) 0.034427(19) Uiso 0.01044(12) U
U2 1.0 0.25411(2) 0.37558(6) 0.13863(2) Uiso 0.00964(12) U
Ca 1.0 0.01502(16) 0.8775(2) 0.13941(17) Uiso 0.0328(9) Ca
Si1 1.0 0.24794(18) 0.3757(4) -0.03695(16) Uiso 0.0120(9) Si
Si2 1.0 0.25733(19) 0.1249(4) 0.20948(16) Uiso 0.0155(9) Si
Si3 1.0 0.1518(2) 0.1765(2) 0.3346(2) Uiso 0.0188(11) Si
Si4 1.0 0.2257(2) 0.3761(4) 0.33566(16) Uiso 0.0162(9) Si
Si5 1.0 0.6434(2) 0.0704(2) 0.1641(2) Uiso 0.0168(11) Si
O1 1.0 0.3209(5) 0.3724(8) -0.0906(5) Uiso 0.026(2) O
O2 1.0 0.1575(5) 0.3700(7) 0.1472(5) Uiso 0.024(2) O
O3 1.0 0.1874(5) 0.1228(7) 0.2640(5) Uiso 0.025(2) O
O4 1.0 0.2445(4) 0.2879(7) 0.0201(6) Uiso 0.015(3) O
O5 1.0 0.2532(4) 0.0383(8) 0.1541(6) Uiso 0.013(3) O
O6 1.0 0.0648(5) 0.1658(7) 0.3307(5) Uiso 0.033(2) O
O7 1.0 0.3521(4) 0.3793(7) 0.1275(4) Uiso 0.0206(19) O
O8 1.0 0.3295(5) 0.1240(7) 0.2613(4) Uiso 0.0233(19) O
O9 1.0 0.2745(5) 0.3783(7) 0.2613(5) Uiso 0.025(2) O
O10 1.0 0.5547(5) 0.0806(7) 0.1601(5) Uiso 0.034(3) O
O11 1.0 0.2494(4) -0.0369(7) 0.0179(6) Uiso 0.016(3) O
O12 1.0 0.2604(5) 0.2135(8) 0.1534(6) Uiso 0.020(3) O
O13 1.0 0.1708(6) 0.2849(6) 0.3323(5) Uiso 0.029(2) O
O14 1.0 0.2717(5) 0.3746(7) 0.4112(5) Uiso 0.026(2) O
O15 1.0 0.1772(5) 0.3762(8) -0.0930(5) Uiso 0.025(2) O
O16 1.0 0.0480(7) 0.0429(8) 0.1545(7) Uiso 0.062(4) O
O17 1.0 0.1672(5) 0.4632(6) 0.3355(5) Uiso 0.029(2) O
O18 1.0 -0.0796(7) 0.9273(9) 0.2290(7) Uiso 0.066(4) O
O19 1.0 -0.0940(6) 0.7925(7) 0.1114(6) Uiso 0.053(3) O
O20a 0.5000 0.0474(18) 0.812(2) 0.0137(18) Uiso 0.090(7) O
O20b 0.5000 0.0374(17) 0.874(2) 0.0080(17) Uiso 0.090(7) O
O21a 0.5000 0.0531(13) 0.7134(16) 0.1513(13) Uiso 0.051(5) O
O21b 0.5000 0.0463(13) 0.7258(16) 0.1929(13) Uiso 0.051(5) O
O22 1.0 0.1504(5) 0.1248(7) 0.0458(4) Uiso 0.0226(19) O
O23 1.0 0.3452(5) 0.1270(7) 0.0257(4) Uiso 0.0226(19) O
O24a 0.5000 0.075(2) 0.022(2) -0.0745(17) Uiso 0.086(7) O
O24b 0.5000 0.054(2) 0.016(2) -0.0446(17) Uiso 0.086(7) O
O25a 0.5000 0.470(2) 0.002(3) 0.056(2) Uiso 0.147(11) O
O25b 0.5000 0.486(2) -0.110(3) 0.160(2) Uiso 0.147(11) O
O26a 0.5000 0.458(4) -0.206(4) 0.051(3) Uiso 0.064(11) O
O26b 0.5000 0.451(4) -0.181(4) 0.018(3) Uiso 0.064(11) O
