#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/07/1520786.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_1520786
loop_
_publ_author_name
'Appel, P.W.U.'
'Brigatti, M.F.'
_publ_section_title
;
 Ludwigite from central Sweden: new data and crystal structure refinement
;
_journal_name_full               'Mineralogical Magazine (1969-)'
_journal_page_first              511
_journal_page_last               518
_journal_volume                  63
_journal_year                    1999
_chemical_formula_sum            'Al0.093 B Fe0.967 Mg1.93 O5'
_chemical_name_systematic        '(Mg1.93 Fe0.967 Al0.093) O2 (B O3)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.254
_cell_length_b                   12.287
_cell_length_c                   3.004
_cell_volume                     341.567
_citation_journal_id_ASTM        MNLMBB
_cod_data_source_file            Appel_MNLMBB_1999_487.cif
_cod_data_source_block           Al0.093B1Fe0.967Mg1.93O5
_cod_original_cell_volume        341.5665
_cod_original_formula_sum        'Al0.093 B1 Fe0.967 Mg1.93 O5'
_cod_database_code               1520786
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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
Fe2 Fe+2 0.0015 0.28077 0.5 0.002 0.0
O5 O-2 0.3496 0.2624 0 1 0.0
Fe5 Fe+2 0.23873 0.11554 0 0.001 0.0
O3 O-2 0.1245 0.3578 0 1 0.0
Fe4 Fe+3 0.5 0 0 0.196 0.0
Fe3 Fe+2 0.5 0 0 0.05 0.0
O4 O-2 0.3826 0.0765 0.5 1 0.0
Fe6 Fe+3 0.23873 0.11554 0 0.839 0.0
Al1 Al+3 0.23873 0.11554 0 0.093 0.0
Mg2 Mg+2 0.0015 0.28077 0.5 0.997 0.0
Mg3 Mg+2 0.5 0 0 0.752 0.0
Mg1 Mg+2 0 0 0.5 0.996 0.0
O1 O-2 0.3498 0.4572 0 1 0.0
B1 B+3 0.2733 0.3598 0 1 0.0
Mg4 Mg+2 0.23873 0.11554 0 0.059 0.0
Fe1 Fe+2 0 0 0.5 0.004 0.0
O2 O-2 0.1089 0.143 0.5 1 0.0
