#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/18/9001882.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001882
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Medici, L.'
'Poppi, L.'
_publ_section_title
;
 Crystal structure refinement of aluminian lizardite-2H2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              931
_journal_page_last               935
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42'
_chemical_name_mineral           Lizardite-2H2
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.334
_cell_length_b                   5.334
_cell_length_c                   14.370
_cell_formula_units_Z            2
_cell_volume                     354.073
_database_code_amcsd             0001942
_exptl_crystal_density_diffrn    2.642
_cod_original_cell_volume        354.074
_cod_original_formula_sum        'Si1.42 Al1.12 Mg2.34 Fe.12 H4 O9'
_cod_database_code               9001882
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 0.00000 0.00000 0.13030 0.71000 ?
Al1 0.00000 0.00000 0.13030 0.29000 ?
Si2 0.66667 0.33333 0.12850 0.71000 ?
Al2 0.66667 0.33333 0.12850 0.29000 ?
Mg 0.66950 0.00200 0.32150 0.78000 ?
Fe 0.66950 0.00200 0.32150 0.04000 ?
Al 0.66950 0.00200 0.32150 0.18000 ?
H4 0.30000 0.04000 0.45900 1.00000 0.04053
H5 0.33333 0.66667 0.17900 1.00000 0.04813
O1 0.00000 0.00000 0.24120 1.00000 ?
O2 0.66667 0.33333 0.24710 1.00000 ?
O3 0.78290 0.11790 0.08990 1.00000 ?
O4 0.33560 0.00380 0.39160 1.00000 ?
O5 0.33333 0.66667 0.24690 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001942
