#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/11/1011153.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_1011153
loop_
_publ_author_name
'Gruner, J W'
_publ_section_title
;
The crystal structures of talc and pyrophyllite.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              412
_journal_page_last               419
_journal_volume                  88
_journal_year                    1934
_chemical_compound_source        'from Tres Cerritos, Mariposa Co., Calif.'
_chemical_formula_structural     'Al2 (Si4 O10) (O H)2'
_chemical_formula_sum            'Al2 H2 O12 Si4'
_chemical_name_mineral           'Pyrophyllite 2M1'
_chemical_name_systematic
;
Dialuminium phyllo-tetrasilicate dihydroxide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.92(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.14(2)
_cell_length_b                   8.90(2)
_cell_length_c                   18.549990000(29999998)
_cell_volume                     835.9
_exptl_crystal_density_meas      2.8
_cod_original_formula_sum        'H2 Al2 O12 Si4'
_cod_database_code               1011153
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Al1 Al3+ 8 f 0. 0.333 0. 1. 0 d
O1 O2- 8 f 0.203 0.5 0.058 1. 0 d
O2 O2- 8 f 0.203 0.167 0.058 1. 0 d
O3 O2- 8 f 0.203 -0.167 0.058 1. 1 d
O4 O2- 8 f 0.025 0.083 0.176 1. 0 d
O5 O2- 8 f -0.475 0.083 0.176 1. 0 d
O6 O2- 8 f 0.275 0.333 0.176 1. 0 d
Si1 Si4+ 8 f -0.239 0. 0.143 1. 0 d
Si2 Si4+ 8 f 0.261 0.167 0.143 1. 0 d
H1 H1+ 8 f -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3.000
O2- -2.000
Si4+ 4.000
H1+ 1.000
