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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/9/00/42/9004252.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_9004252
loop_
_publ_author_name
'Ercit, T. S.'
'Hawthorne, F. C.'
'Cerny, P.'
_publ_section_title
;
 The wodginite group. I. Structural crystallography
 Sample: A-17h, ferroan
 Note: heated
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              597
_journal_page_last               611
_journal_volume                  30
_journal_year                    1992
_chemical_formula_sum
'Fe0.56 Li0.01 Mn0.54 Nb0.38 O8 Sn0.43 Ta1.87 Ti0.19'
_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                 91.045
_cell_angle_gamma                90
_cell_length_a                   9.450
_cell_length_b                   11.442
_cell_length_c                   5.083
_cell_formula_units_Z            4
_cell_volume                     549.518
_database_code_amcsd             0005278
_exptl_crystal_density_diffrn    7.528
_cod_original_formula_sum
'Li.01 Mn.54 Fe.56 Ta1.87 Sn.43 Ti.19 Nb.38 O8'
_cod_database_code               9004252
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 0.66010 0.25000 0.01000
MnA 0.00000 0.66010 0.25000 0.54000
FeA 0.00000 0.66010 0.25000 0.42000
TaA 0.00000 0.66010 0.25000 0.01000
FeB 0.00000 0.16870 0.25000 0.14000
SnB 0.00000 0.16870 0.25000 0.43000
TiB 0.00000 0.16870 0.25000 0.19000
TaB 0.00000 0.16870 0.25000 0.24000
NbC 0.24880 0.41330 0.24800 0.19000
TaC 0.24880 0.41330 0.24800 0.81000
O1 0.13500 0.05800 0.08000 1.00000
O2 0.14600 0.44900 0.56300 1.00000
O3 0.12100 0.30400 0.10500 1.00000
O4 0.11400 0.18400 0.58400 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005278
