#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/60/9016080.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_9016080
loop_
_publ_author_name
'Shi, N.'
'Ma, Z.'
'Liu, W.'
_publ_section_title
;
 Crystal structure determination of ankangite with one dimensional incommensurate modulation
;
_journal_name_full               'Acta Petrologica et Mineralogica'
_journal_page_first              233
_journal_page_last               245
_journal_volume                  10
_journal_year                    1991
_chemical_compound_source
'Shiti barite deposit, Ankang County, Shaanxi, China'
_chemical_formula_sum            'Ba0.295 O4 Ti1.3 V0.7'
_chemical_name_mineral           Ankangite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.139
_cell_length_b                   10.139
_cell_length_c                   2.961
_cell_formula_units_Z            4
_cell_volume                     304.389
_database_code_amcsd             0018318
_exptl_crystal_density_diffrn    4.417
_cod_original_formula_sum        'Ba.295 (Ti1.3 V.7) O4'
_cod_database_code               9016080
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-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
Ba 0.00000 0.00000 0.37900 0.29500 0.03293
Ti 0.16520 0.34940 0.00000 0.65000 0.00697
V 0.16520 0.34940 0.00000 0.35000 0.00697
O1 0.20260 0.15560 0.00000 1.00000 0.00545
O2 0.16730 0.53900 0.00000 1.00000 0.00722
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018318
