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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531679.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_1531679
loop_
_publ_author_name
'Lanson, B.'
'Drits, V.A.'
'Feng, Q.'
'Manceau, A.'
_publ_section_title
;
 Structure of synthetic Na-birnessite: evidence for a triclinic one-layer
 unit cell
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1662
_journal_page_last               1671
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'H1.088 Mn Na0.364 O2.544'
_chemical_name_systematic        'Na0.364 Mn O2 (H2 O)0.544'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.72
_cell_angle_beta                 101.79
_cell_angle_gamma                122.33
_cell_formula_units_Z            1
_cell_length_a                   2.9513
_cell_length_b                   2.9547
_cell_length_c                   7.334
_cell_volume                     52.611
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Lanson_AMMIAY_2002_1659.cif
_cod_data_source_block           H1.088Mn1Na0.364O2.544
_cod_original_cell_volume        52.61097
_cod_original_formula_sum        'H1.088 Mn1 Na0.364 O2.544'
_cod_database_code               1531679
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
Mn1 Mn+3 0 0 0 1 0.0
O1 O-2 0.3886 0.6267 0.1396 1 0.0
O2 O-2 0.29 0.181 0.496 0.272 0.0
Na1 Na+1 0.628 0.476 0.481 0.182 0.0
