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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004251.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_9004251
loop_
_publ_author_name
'Ercit, T. S.'
'Hawthorne, F. C.'
'Cerny, P.'
_publ_section_title
;
 The wodginite group. I. Structural crystallography
 Sample: A-17, ferroan
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              597
_journal_page_last               611
_journal_volume                  30
_journal_year                    1992
_chemical_formula_sum
'Fe0.57 Li0.01 Mn0.54 Nb0.38 O8 Sn0.45 Ta1.85 Ti0.2'
_chemical_name_mineral           Wodginite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.40
_cell_angle_gamma                90
_cell_length_a                   9.460
_cell_length_b                   11.421
_cell_length_c                   5.119
_cell_formula_units_Z            4
_cell_volume                     553.057
_database_code_amcsd             0005277
_exptl_crystal_density_diffrn    7.478
_cod_original_formula_sum
'Li.01 Mn.54 Fe.57 Sn.45 Ti.2 Nb.38 Ta1.85 O8'
_cod_database_code               9004251
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
LiA 0.00000 0.66340 0.25000 0.01000
MnA 0.00000 0.66340 0.25000 0.41000
FeA 0.00000 0.66340 0.25000 0.33000
SnA 0.00000 0.66340 0.25000 0.04000
TiA 0.00000 0.66340 0.25000 0.02000
NbA 0.00000 0.66340 0.25000 0.03000
TaA 0.00000 0.66340 0.25000 0.16000
MnB 0.00000 0.16800 0.25000 0.05000
FeB 0.00000 0.16800 0.25000 0.14000
SnB 0.00000 0.16800 0.25000 0.33000
TiB 0.00000 0.16800 0.25000 0.14000
NbB 0.00000 0.16800 0.25000 0.03000
TaB 0.00000 0.16800 0.25000 0.31000
MnC 0.24880 0.41430 0.24930 0.04000
FeC 0.24880 0.41430 0.24930 0.05000
SnC 0.24880 0.41430 0.24930 0.04000
TiC 0.24880 0.41430 0.24930 0.02000
NbC 0.24880 0.41430 0.24930 0.16000
TaC 0.24880 0.41430 0.24930 0.69000
O1 0.13300 0.05600 0.08200 1.00000
O2 0.14300 0.44600 0.57100 1.00000
O3 0.12000 0.30500 0.09800 1.00000
O4 0.11500 0.18500 0.58300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005277
