#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008090.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_9008090
loop_
_publ_author_name
'Cid-Dresdner H'
'Buerger, M. J.'
_publ_section_title
;
 The crystal structure of potassium hexatitanate K2Ti6O13
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              411
_journal_page_last               430
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K2 O13 Ti6'
_chemical_name_mineral           Jeppeite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.764
_cell_angle_gamma                90
_cell_length_a                   15.582
_cell_length_b                   3.82
_cell_length_c                   9.112
_cell_formula_units_Z            2
_cell_volume                     534.519
_database_code_amcsd             0010602
_exptl_crystal_density_diffrn    3.563
_cod_original_formula_sum        'K2 Ti6 O13'
_cod_database_code               9008090
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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_U_iso_or_equiv
K 0.45400 0.00000 0.24740 0.01406
Ti1 0.11420 0.00000 0.09800 0.00595
Ti2 0.17160 0.00000 0.43860 0.00760
Ti3 0.23250 0.00000 -0.22380 0.00633
O1 0.00000 0.00000 0.00000 0.00760
O2 0.23700 0.00000 0.23700 0.00760
O3 0.07640 0.00000 0.29100 0.00760
O4 0.29640 0.00000 -0.42800 0.00253
O5 0.13300 0.00000 -0.38400 0.00507
O6 0.35910 0.00000 -0.10900 0.00507
O7 0.16770 0.00000 -0.08300 0.00760
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010602
