#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/26/9002666.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_9002666
loop_
_publ_author_name
'Hejny, C.'
'Armbruster, T.'
_publ_section_title
;Polysomatism in hogbomite: The crystal structures of 10T, 12H, 14T and 24R
 polysomes Note: Data represents a model, not experiment. Sample: polytype 12H
;
_journal_name_full               'American Mineralogist'
_journal_page_first              277
_journal_page_last               292
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al12 H Mg4 O24 Ti'
_chemical_name_mineral           Hogbomite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.7
_cell_length_b                   5.7
_cell_length_c                   27.6
_cell_formula_units_Z            2
_cell_volume                     776.586
_exptl_crystal_density_diffrn    3.652
_cod_original_formula_sum        'Mg4 Al12 Ti O24 H'
_cod_database_code               9002666
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.00000 0.00000 0.02083
Al2 0.66667 0.33333 0.04167
Mg3 0.33333 0.66667 0.06250
Al4 0.83333 0.66667 0.12500
Mg5 0.33333 0.66667 0.18750
Al6 0.00000 0.00000 0.20833
Mg7 0.66667 0.33333 0.22917
Al8 0.16667 0.83333 0.29167
Ti9 0.33333 0.66667 0.37500
Al10 0.00000 0.00000 0.39583
Al11 0.83333 0.66667 0.45833
O1 0.33333 0.16667 0.00000
O2 0.33333 0.66667 0.00000
O3 0.00000 0.00000 0.08333
O4 0.00000 0.50000 0.08333
O5 0.66667 0.33333 0.16667
O6 0.66667 0.83333 0.16667
O7 0.33333 0.16667 0.25000
O8 0.33333 0.66667 0.25000
O9 0.00000 0.00000 0.33333
O10 0.00000 0.50000 0.33333
O11 0.66667 0.33333 0.41667
O12 0.66667 0.83333 0.41667
H 0.66667 0.33333 0.38000
