#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/42/9004237.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_9004237
loop_
_publ_author_name
'Holtstam, D.'
'Linqvist, B.'
'Johnsson, M.'
'Norrestam, R.'
_publ_section_title
;
 Zenzenite: Pb3(Fe,Mn)4Mn3O15, a new mineral species
 from Langban, Filipstad, Sweden, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              347
_journal_page_last               354
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source        'Langban, Filipstad, Sweden'
_chemical_formula_sum            'Fe2.45 Mn4.55 O15 Pb3'
_chemical_name_mineral           Zenzenite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.008
_cell_length_b                   10.008
_cell_length_c                   13.672
_cell_formula_units_Z            4
_cell_volume                     1185.925
_database_code_amcsd             0005262
_exptl_crystal_density_diffrn    6.992
_cod_original_formula_sum        'Pb3 Mn4.55 Fe2.45 O15'
_cod_database_code               9004237
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,z
x,x-y,-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,z
-x+y,y,-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,z
-y,-x,-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,1/2+z
x-y,-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 0.61360 0.61360 0.75000 1.00000 0.01540
Pb2 0.26780 0.26780 0.75000 1.00000 0.01230
Mn1 0.83180 0.16830 0.50000 0.91000 0.00880
Fe1 0.83180 0.16830 0.50000 0.09000 0.00880
Fe2 0.33333 0.66667 0.14620 1.00000 0.00610
Mn3 0.50000 0.50000 0.50000 0.91000 0.00840
Fe3 0.50000 0.50000 0.50000 0.09000 0.00840
Mn4 0.00000 0.00000 0.00000 0.91000 0.01060
Fe4 0.00000 0.00000 0.00000 0.09000 0.01060
O1 0.48820 0.32710 0.08020 1.00000 0.01250
O2 0.52540 0.17270 0.25000 1.00000 0.00860
O3 0.16450 0.16450 0.07300 1.00000 0.01220
O4 0.67090 0.67090 0.07340 1.00000 0.01020
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005262
