#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007453.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_9007453
loop_
_publ_author_name
'Takeuchi Y'
'Sadanaga R'
_publ_section_title
;
 The crystal structure of xanthophyllite
 Locality: Chichibu mine, Japan
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              945
_journal_page_last               946
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Al4 Ca H2 Mg2 O12 Si'
_[local]_cod_chemical_formula_sum_orig 'Ca Mg2 Al4 Si O12 H2'
_chemical_name_mineral           Clintonite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.1
_cell_angle_gamma                90
_cell_length_a                   5.19
_cell_length_b                   9.00
_cell_length_c                   9.74
_cell_volume                     447.905
loop_
_symmetry_equiv_pos_as_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_occupancy
Ca 0.50000 0.50000 0.00000 1.00000
Mg 0.50000 0.32800 0.50000 1.00000
Al1 0.00000 0.50000 0.50000 1.00000
Al2 0.55600 0.17200 0.20500 0.75000
Si2 0.55600 0.17200 0.20500 0.25000
O1 0.41900 0.00000 0.14000 1.00000
O2 0.84100 0.18500 0.14000 1.00000
O3 0.60200 0.16100 0.38300 1.00000
O-H 0.63200 0.50000 0.39800 1.00000