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#$Date: 2013-05-05 14:21:46 +0000 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/26/9002648.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_9002648
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 = 298 K, neutron
;
_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           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.193
_cell_angle_gamma                90
_cell_length_a                   8.7371
_cell_length_b                   4.8692
_cell_length_c                   10.7217
_cell_volume                     456.127
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.625
_[local]_cod_chemical_formula_sum_orig 'Si O2'
_cod_database_code               9002648
loop_
_symmetry_equiv_pos_as_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
-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 0.97260 0.00000 0.00970
Si2 0.01030 0.24860 0.16820 0.01100
O1 0.97810 0.06440 0.28780 0.01480
O2 0.16780 0.17080 0.10020 0.01720
O3 0.87030 0.22960 0.06750 0.01890
