#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/51/9005115.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_9005115
loop_
_publ_author_name
'Miehe, G.'
'Graetsch, H.'
_publ_section_title
;
 Crystal structure of moganite: a new structure type of silica
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              693
_journal_page_last               706
_journal_volume                  4
_journal_year                    1992
_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                 90.08
_cell_angle_gamma                90
_cell_length_a                   8.758
_cell_length_b                   4.876
_cell_length_c                   10.715
_cell_formula_units_Z            12
_cell_volume                     457.573
_database_code_amcsd             0006460
_exptl_crystal_density_diffrn    2.617
_cod_original_formula_sum        'Si O2'
_cod_database_code               9005115
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
-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 -0.00920 0.00000 0.04053
Si2 0.01150 0.25330 0.16780 0.00633
O1 -0.03140 0.06800 0.28600 0.02406
O2 0.17110 0.17700 0.10500 0.06333
O3 -0.13430 0.21480 0.07390 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006460
