#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538518.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_1538518
loop_
_publ_author_name
'Rayner, J.H.'
'Brown, G.'
_publ_section_title
;
 Structure of pyrophyllite
;
_journal_name_full               'Clays and Clay Minerals (-28,1980)'
_journal_page_first              73
_journal_page_last               84
_journal_volume                  13
_journal_year                    1966
_chemical_formula_sum            'Al1.3332 H1.3332 O7.9992 Si2.6664'
_chemical_name_systematic        '(Al4 Si8 O20 (O H)4)0.3333'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.8
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.17
_cell_length_b                   2.97
_cell_length_c                   9.33
_cell_volume                     141.171
_citation_journal_id_ASTM        CCMPA7
_cod_data_source_file            Rayner_CCMPA7_1966_1586.cif
_cod_data_source_block           H1.3332Al1.3332O7.9992Si2.6664
_cod_original_cell_volume        141.1707
_cod_original_formula_sum        'H1.3332 Al1.3332 O7.9992 Si2.6664'
_cod_database_code               1538518
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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 0.2752 0.5 0.2923 0.6667 0.0
Al1 Al+3 0 0 0 0.6667 0.0
O1 O-2 0.208 0.5 0.1161 1 0.0
O2 O-2 0.0699 0.172 0.3577 0.3333 0.0
O3 O-2 0.241 0 0.3388 0.3333 0.0
