#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004253.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_9004253
loop_
_publ_author_name
'Ercit, T. S.'
'Hawthorne, F. C.'
'Cerny, P.'
_publ_section_title
;
 The wodginite group. I. Structural crystallography
 Sample: TSE-76
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              597
_journal_page_last               611
_journal_volume                  30
_journal_year                    1992
_chemical_formula_sum
'Fe0.01 Li0.55 Mn0.45 Nb0.26 O8 Sn0.21 Ta2.52'
_chemical_name_mineral           Lithiowodginite
_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                 90.51
_cell_angle_gamma                90
_cell_length_a                   9.4536
_cell_length_b                   11.4977
_cell_length_c                   5.0775
_cell_formula_units_Z            4
_cell_volume                     551.875
_database_code_amcsd             0005279
_exptl_crystal_density_diffrn    7.970
_cod_original_formula_sum        '(Li.55 Mn.45) Fe.01 Sn.21 Ta2.52 Nb.26 O8'
_cod_database_code               9004253
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
_atom_site_U_iso_or_equiv
LiA 0.00000 0.66200 0.25000 0.55000 0.01267
MnA 0.00000 0.66200 0.25000 0.45000 0.01267
FeB 0.00000 0.16990 0.25000 0.01000 0.01267
SnB 0.00000 0.16990 0.25000 0.21000 0.01267
TaB 0.00000 0.16990 0.25000 0.78000 0.01267
NbC 0.24510 0.41220 0.24800 0.13000 0.01267
TaC 0.24510 0.41220 0.24800 0.87000 0.01267
O1 0.14700 0.06200 0.09000 1.00000 0.01267
O2 0.13100 0.45600 0.54300 1.00000 0.01267
O3 0.11600 0.32200 0.07400 1.00000 0.01267
O4 0.11900 0.18000 0.58400 1.00000 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005279
