#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/43/9004390.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_9004390
loop_
_publ_author_name
'Peterson, R. C.'
'Grey, I. E.'
_publ_section_title
;
 Preparation and structure refinement of synthetic Ti-containing
 lindsleyite, BaMn3Ti18O38
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1083
_journal_page_last               1089
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'Ba Mn3 O38 Ti18'
_chemical_name_mineral           Lindsleyite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.4369
_cell_length_b                   10.4369
_cell_length_c                   20.8871
_cell_formula_units_Z            3
_cell_volume                     1970.388
_database_code_amcsd             0005464
_exptl_crystal_density_diffrn    4.480
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ba Mn3 Ti18 O38'
_cod_database_code               9004390
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
BaA 0.00000 0.00000 0.00000 0.00747
MnT 0.00000 0.00000 0.31030 0.00608
MnM1 0.00000 0.00000 0.50000 0.01051
TiM2 0.18600 0.14340 0.16500 0.00494
TiM3 0.91730 0.24020 0.39260 0.00621
TiM4 0.07140 0.75890 0.39890 0.00532
O1 0.87400 0.06500 0.43550 0.00760
O2 0.70600 0.50500 0.44320 0.00507
O3 0.36500 0.26000 0.55890 ?
O4 0.60000 0.56300 0.55110 0.01393
O5 0.05400 0.20700 0.33730 0.01013
O6 0.35800 0.26200 0.34130 0.00253
O7 0.00000 0.00000 0.21310 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005464
