#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/26/9002649.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_9002649
loop_
_publ_author_name
'Heaney, P. J.'
'Post, J. E.'
_publ_section_title
;
 Evidence for an I2/a to Imab phase transition in the silica
 polymorph moganite at ~570 K
 Sample: T = 1354 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1358
_journal_page_last               1366
_journal_volume                  86
_journal_year                    2001
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Moganite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2a 2'
_symmetry_space_group_name_H-M   'I m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.8159
_cell_length_b                   4.9371
_cell_length_c                   10.7605
_cell_formula_units_Z            12
_cell_volume                     468.351
_database_code_amcsd             0002738
_diffrn_ambient_temperature      1354
_exptl_crystal_density_diffrn    2.556
_cod_original_sg_symbol_H-M      'I m a b'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9002649
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+x,-y,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,y,-z
+x,1/2+y,1/2-z
1/2-x,-y,z
-x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1 0.25000 0.00000 0.00000 0.03000
Si2 0.00000 0.22550 0.17010 0.03000
O1 0.00000 0.04160 0.29350 0.03000
O2 0.14710 0.20070 0.08240 0.03000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002738
