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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/74/1537459.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1537459
loop_
_publ_author_name
'Jahanbagloo, I.C.'
'Zoltai, T.'
_publ_section_title
;
 The crystal structure of a hexagonal Al-serpentine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              14
_journal_page_last               24
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Al1.27 Fe0.1 H4.4 Mg2 O9 Si1.4'
_chemical_name_systematic        'Mg2 Fe.1 Al1.27 Si1.4 O4.6 (O H)4.4'
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.295
_cell_length_b                   5.295
_cell_length_c                   63.99
_cell_volume                     1553.727
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Jahanbagloo_AMMIAY_1968_33.cif
_cod_data_source_block           H4.4Al1.27Fe0.1Mg2O9Si1.4
_cod_original_formula_sum        'H4.4 Al1.27 Fe0.1 Mg2 O9 Si1.4'
_cod_database_code               1537459
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z
-x,-x+y,z
x-y,-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 0.3333 0.6667 0.009 0.7 0.0
O2 O-2 0.3333 0.6667 0.0353 1 0.0
O3 O-2 0 0 0.0353 1 0.0
O1 O-2 0.46 0 0 1 0.0
Al2 Al+3 0.3333 0.6667 0.009 0.3 0.0
Fe1 Fe+2 0.6667 0 0.0513 0.0333 0.0
Al1 Al+3 0.6667 0 0.0513 0.22 0.0
O4 O-2 0.3333 0 0.067 1 0.0
Mg1 Mg+2 0.6667 0 0.0513 0.6667 0.0
