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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106228.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_2106228
loop_
_publ_author_name
'Adrian, H.W.W.'
'van Tets, A.'
_publ_section_title
;
 A low temperature neutron diffraction study of alpha-U-O2 (N H2 O)2 (H2
 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              88
_journal_page_last               90
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H12 N2 O8 U'
_chemical_name_systematic        'U O2 (N H2 O)2 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.2
_cell_angle_beta                 90.8
_cell_angle_gamma                105.1
_cell_formula_units_Z            1
_cell_length_a                   6.287
_cell_length_b                   6
_cell_length_c                   5.634
_cell_volume                     203.791
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Adrian_ACBCAR_1978_1125.cif
_cod_data_source_block           H12N2O8U1
_cod_original_cell_volume        203.7914
_cod_original_formula_sum        'H12 N2 O8 U1'
_cod_database_code               2106228
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O2 O-2 0.793 0.365 0.61 1 0.0
H3 H+1 0.308 0.641 0.055 1 0.0
O3 O-2 0.196 0.376 0.773 1 0.0
O1 O-2 0.608 0.766 0.702 1 0.0
H4 H+1 0.393 0.898 0.222 1 0.0
H1 H+1 0.951 0.608 0.283 1 0.0
O4 O-2 0.109 0.914 0.792 1 0.0
N1 N-1 0.634 0.28 0.78 1 0.0
H6 H+1 0.047 0.146 0.206 1 0.0
U1 U+6 0.5 0.5 0.5 1 0.0
H5 H+1 0.849 0.17 0.352 1 0.0
H2 H+1 0.825 0.793 0.203 1 0.0
