#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106215.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106215
loop_
_publ_author_name
'Taylor, J.C.'
'Hurst, H.J.'
_publ_section_title
;
 The hydrogen atom locations in the alpha and beta forms of uranyl
 hydroxide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2018
_journal_page_last               2022
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H2 O4 U'
_chemical_name_systematic        '(U O2) (O H)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6438
_cell_length_b                   6.2867
_cell_length_c                   9.9372
_cell_volume                     352.581
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Taylor_ACBCAR_1971_172.cif
_cod_data_source_block           H2O4U1
_cod_original_cell_volume        352.5805
_cod_original_formula_sum        'H2 O4 U1'
_cod_database_code               2106215
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 0.206 0.344 0.172 1 0.0
U1 U+6 0 0 0 1 0.0
O2 O-2 0.203 0.304 0.091 1 0.0
O1 O-2 0.136 0.472 0.35 1 0.0
