#------------------------------------------------------------------------------
#$Date: 2016-12-25 03:06:26 +0100 (dom 25 de dic de 2016) $
#$Revision: 189390 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/48/1544872.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_1544872
loop_
_publ_author_name
'Toraya, H.'
'Iwai, S.'
'Marumo, F.'
_publ_section_title
;
 The structural investigation of a kaolin mineral by X-ray powder
 pattern-fitting
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              168
_journal_page_last               180
_journal_volume                  10
_journal_year                    1980
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_common            Al2Si2O5(OH)4
_chemical_name_mineral           kaolin
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.61(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.920(2)
_cell_length_b                   5.157(2)
_cell_length_c                   15.684(1)
_cell_volume                     661.1(3)
_cod_data_source_file            kaolin.cif
_cod_data_source_block           kaolin
_cod_original_formula_sum        'Al2 Si2 O9 H4'
_cod_database_code               1544872
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.146(6) 0.327(4) 0.228(2) Biso 1.000000 Al
Al2 1.0 0.489(5) 0.330(3) 0.227(3) Biso 1.000000 Al
Si1 1.0 0.199(4) 0.493(6) 0.047(2) Biso 1.000000 Si
Si2 1.0 0.364(6) -0.001(5) 0.042(2) Biso 1.000000 Si
O1 1.0 0.243(5) 0.778(8) 0.007(3) Biso 1.000000 O
O2 1.0 0.248(4) 0.268(7) -0.004(3) Biso 1.000000 O
O3 1.0 0.013(7) 0.451(4) 0.009(3) Biso 1.000000 O
O4 1.0 0.272(5) 0.436(5) 0.157(3) Biso 1.000000 O
O5 1.0 0.428(5) 0.031(7) 0.155(3) Biso 1.000000 O
OH1 1.0 0.108(6) 0.007(9) 0.163(3) Biso 1.000000 O
OH2 1.0 0.536(8) 0.649(6) 0.296(4) Biso 1.000000 O
OH3 1.0 0.179(5) 0.645(7) 0.289(3) Biso 1.000000 O
OH4 1.0 0.368(8) 0.198(7) 0.306(3) Biso 1.000000 O
