#------------------------------------------------------------------------------
#$Date: 2016-02-21 09:49:01 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176808 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/42/1514225.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_1514225
loop_
_publ_author_name
'Brachtel, G.'
'Hoppe, R.'
_publ_section_title
;
 Die Koordinationszahl 5 bei Mn(III): Na4 Mn2 O5
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              130
_journal_page_last               136
_journal_paper_doi               10.1002/zaac.19804680116
_journal_volume                  468
_journal_year                    1980
_chemical_formula_structural     'Na4 Mn2 O5'
_chemical_formula_sum            'Mn2 Na4 O5'
_chemical_name_systematic
;
Sodium Phyllo-pentaoxodimanganate(III)
;
_space_group_IT_number           70
_symmetry_Int_Tables_number      70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_audit_creation_date             1980/12/31
_audit_update_record             1999/05/18
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   5.721
_cell_length_b                   9.425
_cell_length_c                   19.67
_cell_volume                     1060.615
_refine_ls_R_factor_all          0.018
_cod_data_source_file            'data_Na4Mn2O5melanie.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396616709.53-D290F29E9218B844.cif
_cod_original_cell_volume        1060.61
_cod_original_sg_symbol_H-M      'F d d d S'
_cod_database_code               1514225
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+1/4, y+1/4, -z+1/4'
2 '-x+1/4, y+1/4, z+1/4'
3 '-x, -y, z'
4 'x, -y, -z'
5 'x+1/4, -y+1/4, z+1/4'
6 '-x+1/4, -y+1/4, -z+1/4'
7 '-x, y, -z'
8 'x, y, z'
9 'x+1/4, y+3/4, -z+3/4'
10 'x+3/4, y+1/4, -z+3/4'
11 'x+3/4, y+3/4, -z+1/4'
12 '-x+1/4, y+3/4, z+3/4'
13 '-x+3/4, y+1/4, z+3/4'
14 '-x+3/4, y+3/4, z+1/4'
15 '-x, -y+1/2, z+1/2'
16 '-x+1/2, -y, z+1/2'
17 '-x+1/2, -y+1/2, z'
18 'x, -y+1/2, -z+1/2'
19 'x+1/2, -y, -z+1/2'
20 'x+1/2, -y+1/2, -z'
21 'x+1/4, -y+3/4, z+3/4'
22 'x+3/4, -y+1/4, z+3/4'
23 'x+3/4, -y+3/4, z+1/4'
24 '-x+1/4, -y+3/4, -z+3/4'
25 '-x+3/4, -y+1/4, -z+3/4'
26 '-x+3/4, -y+3/4, -z+1/4'
27 '-x, y+1/2, -z+1/2'
28 '-x+1/2, y, -z+1/2'
29 '-x+1/2, y+1/2, -z'
30 'x, y+1/2, z+1/2'
31 'x+1/2, y, z+1/2'
32 'x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Na1 Na1+ 32 h 0.0032(2) 0.2504(1) 0.15968(5) 1. 0
Mn1 Mn3+ 16 f 0 0.21945(5) 0 1. 0
O1 O2- 16 g 0 0 0.6840(1) 1. 0
O2 O2- 16 g 0 0 0.1849(1) 1. 0
O3 O2- 8 a 0 0 0 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn3+ 3
Na1+ 1
O2- -2
