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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001990.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_9001990
loop_
_publ_author_name
'Grey, I. E.'
'Velde, D.'
'Criddle, A. J.'
_publ_section_title
;
 Haggertyite, a new magnetoplumbite-type titanate mineral from the
 Prairie Creek (Arkansas) lamproite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1323
_journal_page_last               1329
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Ba0.69 Fe5.86 K0.31 Mg0.72 O19 Ti5.42'
_chemical_name_mineral           Haggertyite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.9369
_cell_length_b                   5.9369
_cell_length_c                   23.3445
_cell_volume                     712.582
_database_code_amcsd             0002051
_exptl_crystal_density_diffrn    4.731
_cod_original_formula_sum        '(Ba.69 K.31) Fe5.86 Ti5.42 Mg.72 O19'
_cod_database_code               9001990
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-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
BaA 0.33333 0.66667 0.75000 0.69000 0.01360
KA 0.33333 0.66667 0.75000 0.31000 0.01360
Fe1 0.00000 0.00000 0.00000 0.38000 0.01090
Ti1 0.00000 0.00000 0.00000 0.56000 0.01090
Mg1 0.00000 0.00000 0.00000 0.06000 0.01090
Fe2 0.00000 0.00000 0.25860 0.38000 0.01010
Ti2 0.00000 0.00000 0.25860 0.09000 0.01010
Mg2 0.00000 0.00000 0.25860 0.03000 0.01010
Fe3 0.33333 0.66667 0.02658 0.72000 0.01310
Ti3 0.33333 0.66667 0.02658 0.22000 0.01310
Mg3 0.33333 0.66667 0.02658 0.06000 0.01310
Fe4 0.33333 0.66667 0.19034 0.32000 0.01150
Ti4 0.33333 0.66667 0.19034 0.62000 0.01150
Mg4 0.33333 0.66667 0.19034 0.06000 0.01150
Fe5 0.16780 0.33561 0.89243 0.44000 0.01130
Ti5 0.16780 0.33561 0.89243 0.50000 0.01130
Mg5 0.16780 0.33561 0.89243 0.06000 0.01130
O1 0.00000 0.00000 0.15230 1.00000 0.01700
O2 0.33333 0.66667 0.94080 1.00000 0.01400
O3 0.18410 0.36820 0.25000 1.00000 0.01400
O4 0.14950 0.29890 0.05290 1.00000 0.01200
O5 0.49980 0.99960 0.15040 1.00000 0.01300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002051