#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004510.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_9004510
loop_
_publ_author_name
'Guggenheim, S.'
'Zhan, W.'
_publ_section_title
;
 Effect of temperature on the structures of lizardite-1T and lizardite-2H1
 Sample: T = 480 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1587
_journal_page_last               1594
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'H4 Mg3 O9 Si2'
_chemical_name_mineral           Lizardite-1T
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.332
_cell_length_b                   5.332
_cell_length_c                   7.332
_cell_formula_units_Z            1
_cell_volume                     180.523
_database_code_amcsd             0005585
_diffrn_ambient_temperature      753.15
_exptl_crystal_density_diffrn    2.549
_cod_original_formula_sum        'Mg3 Si2 H4 O9'
_cod_database_code               9004510
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,z
-y,x-y,z
y,x,z
-x+y,-x,z
-x,-x+y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mg 0.01100 0.01100 0.03400 0.00550 -0.00010 0.00000
Si 0.01260 0.01260 0.03600 0.00630 0.00000 0.00000
O1 0.01500 0.01500 0.03000 0.00750 0.00000 0.00000
O2 0.02300 0.01300 0.03700 0.00650 -0.00300 0.00000
O3 0.02200 0.02000 0.02500 0.01000 0.00100 0.00000
O4 0.02200 0.02200 0.02800 0.01100 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.33210 0.00000 0.45700
Si 0.33333 0.66667 0.07800
H1 0.57200 0.00000 0.73000
H2 0.00000 0.00000 0.19000
O1 0.33333 0.66667 0.29140
O2 0.50000 0.00000 -0.00500
O3 0.66400 0.00000 0.59200
O4 0.00000 0.00000 0.30600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005585
