#------------------------------------------------------------------------------
#$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176343 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/17/2001754.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_2001754
loop_
_publ_author_name
'IJdo, D. J. W.'
_publ_section_title
;
 Pb₃U₁₁O₃₆, a Rietveld refinement of neutron powder diffraction
 data
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              654
_journal_page_last               656
_journal_paper_doi               10.1107/S0108270192010874
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'O36 Pb3 U11'
_chemical_formula_sum            'O36 Pb3 U11'
_chemical_formula_weight         3815.88
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.4590(10)
_cell_length_b                   8.3790(3)
_cell_length_c                   6.7650(3)
_cell_volume                     1613.17(11)
_diffrn_radiation_wavelength     2.57000(10)
_exptl_crystal_density_diffrn    7.854
_cod_data_source_file            mu1002.cif
_cod_data_source_block           mu1002_structure_1_of_1
_cod_depositor_comments
;

Had to add explicit symmetry operators from the CCP4 library to force
origin choice 1.

Saulius Gra\<zulis
;
_cod_original_cell_volume        1613.20(10)
_cod_original_sg_symbol_H-M      'P m m n {origin @ m m 2/n}'
_cod_database_code               2001754
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2-x,y+1/2,-z
x+1/2,1/2-y,-z
1/2-x,1/2-y,-z
x+1/2,y+1/2,-z
x,-y,z
-x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 .75 .25 .774(4) 1.9(3)
Pb2 .6015(5) .25 .706(2) 1.90
U1 .25 .25 .337(3) .08(8)
U2 .3859(5) .25 .237(2) .08
U3 .4656(4) .25 .780(2) .08
U4 .3186(5) .25 .777(2) .08
U5 .6782(5) .25 .233(2) .08
U6 .5279(4) .25 .240(2) .08
O1 .25 .469(3) .322(3) .84(7)
O2 .3837(4) .465(2) .249(2) .84
O3 .5323(5) .522(2) .222(2) .84
O4 .6802(6) .516(2) .219(2) .84
O5 .3118(8) .25 .082(3) .84
O6 .4615(7) .25 .144(3) .84
O7 .5984(7) .25 .281(3) .84
O8 .75 .25 .121(4) .84
O9 .25 .25 .685(4) .84
O10 .3904(7) .25 .901(3) .84
O11 .5434(8) .25 .932(3) .84
O12 .6629(7) .25 .960(3) .84
O13 .3270(9) .25 .464(3) .84
O14 .4224(8) .25 .537(3) .84
O15 .5228(6) .25 .513(3) .84
O16 .6804(7) .25 .494(3) .84
