#------------------------------------------------------------------------------
#$Date: 2022-09-19 04:24:21 +0300 (Mon, 19 Sep 2022) $
#$Revision: 277974 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/55/7245505.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_7245505
loop_
_publ_author_name
'To, Tung H.'
'Tran, Dang B.'
'Thi Thu Ha, Vu'
'Tran, Phong D.'
_publ_section_title
;
 Electrocatalytic H2 evolution using binuclear cobalt complexes as
 catalysts
;
_journal_issue                   40
_journal_name_full               'RSC Advances'
_journal_page_first              26428
_journal_page_last               26434
_journal_paper_doi               10.1039/D2RA05109E
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'Fe4.48 H2 Mg1.08 Mn1.44 O24 Si8'
_chemical_name_systematic
;
Manganese Iron Magnesium Silicon Oxide Hydroxide 
(1.44/4.48/1.08/8/22/2)
;
_space_group_IT_number           58
_space_group_name_Hall           '-P 2n 2n'
_space_group_name_H-M_alt        'P n m n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_H-M   'P n m n'
_audit_update_record
;
2018-02-27 deposited with the CCDC.	2022-09-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.101
_cell_length_b                   17.99
_cell_length_c                   5.259
_cell_volume                     861.040
_refine_ls_R_factor_all          0.073
_cod_data_source_file            d2ra05109e2.cif
_cod_data_source_block           168845-ICSD
_cod_original_cell_volume        861.04
_cod_original_formula_sum        'H2 Fe4.48 Mg1.08 Mn1.44 O24 Si8'
_cod_database_code               7245505
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+1/2, y+1/2, -z+1/2'
2 '-x+1/2, y+1/2, z+1/2'
3 'x, -y, z'
4 '-x, -y, -z'
5 '-x+1/2, -y+1/2, z+1/2'
6 'x+1/2, -y+1/2, -z+1/2'
7 '-x, y, -z'
8 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 Si4+ 0.287 0.084 0.149
Si2 Si4+ 0.298 0.1679 0.652
Fe1 Fe2+ 0 0.0853 0.5
Mg1 Mg2+ 0 0.0853 0.5
Fe2 Fe2+ 0 0.1778 0
Mg2 Mg2+ 0 0.1778 0
Fe3 Fe2+ 0 0 0
Mg3 Mg2+ 0 0 0
Mn1 Mn2+ 0 0.2608 0.5
Fe4 Fe2+ 0 0.2608 0.5
O1 O2- 0.109 0.087 0.162
O2 O2- 0.122 0.173 0.66
O3 O2- 0.131 0 0.65
O4 O2- 0.374 0.248 0.675
O5 O2- 0.353 0.127 0.399
O6 O2- 0.361 0.121 0.898
O7 O2- 0.344 0 0.17
loop_
_citation_id
_citation_doi
_citation_year
1 10.2138/am.2010.3565 2010
