#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/04/9010403.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9010403
loop_
_publ_author_name
'Dorsam, G.'
'Liebscher, A.'
'Wunder, B.'
'Franz, G.'
_publ_section_title
;
 Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite
 (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               583
_journal_paper_doi               10.2138/am.2008.2594
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O9 Pb2 Si2'
_chemical_name_mineral           Melanotekite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.9788
_cell_length_b                   11.0164
_cell_length_c                   10.0881
_cell_formula_units_Z            4
_cell_volume                     775.586
_database_code_amcsd             0004535
_exptl_crystal_density_diffrn    6.220
_cod_original_formula_sum        'Pb2 Fe2 Si2 O9'
_cod_database_code               9010403
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.44820 0.30160 0.54940 0.70000 0.01040
Pb2 0.51210 0.30880 0.54990 0.30000 0.03000
Fe1 0.50000 0.00000 0.00000 1.00000 0.00700
Fe2 0.50000 0.15210 0.25000 1.00000 0.00730
Si 0.21510 -0.08640 0.25030 1.00000 0.00620
O1 0.34140 0.01090 0.33470 1.00000 0.00730
O2 0.30390 -0.10830 0.10190 1.00000 0.01280
O3 0.19150 -0.22010 0.32270 1.00000 0.01210
O4 0.00000 -0.02440 0.25000 1.00000 0.01990
O5 0.61460 0.14810 0.42590 1.00000 0.01140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004535
