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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014553.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_9014553
loop_
_publ_author_name
'Groult, D.'
'Mercey, C.'
'Raveau, B.'
_publ_section_title
;
 Nouveaux oxydes a structure en feuillets: Les titanates de potassium
 non-stoechiometriques KX (MY Ti2-Y) O4
 _cod_database_code 1001129
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              289
_journal_page_last               296
_journal_paper_doi               10.1016/S0022-4596(80)80022-3
_journal_volume                  32
_journal_year                    1980
_chemical_formula_sum            'K0.4 Mg0.2 O2 Ti0.8'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8207
_cell_length_b                   15.641
_cell_length_c                   2.9814
_cell_formula_units_Z            4
_cell_volume                     178.167
_database_code_amcsd             0013383
_exptl_crystal_density_diffrn    3.385
_cod_duplicate_entry             1001129
_cod_original_formula_sum        'K.4 (Mg.2 Ti.8) O2'
_cod_database_code               9014553
_amcsd_formula_title             'K0.8 Mg0.4 O4 Ti1.6'
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,z
1/2-x,1/2+y,z
-x,-y,1/2+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
K1 0.00000 0.00140 0.24300 0.40000
Mg1 0.00000 0.31360 0.63900 0.20000
Ti1 0.00000 0.31360 0.63900 0.80000
O1 0.00000 0.21780 0.14800 1.00000
O2 0.00000 0.38350 0.09600 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013383