#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013492.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_9013492
loop_
_publ_author_name
'Hirose, T.'
'Kihara, K.'
'Okuno, M.'
'Fujinami, S.'
'Shinoda, K.'
_publ_section_title
;
 X-ray, DTA and Raman studies of monoclinic tridymite and its higher
 temperature orthorhombic modification with varying temperature.
 Note: T = 373 K
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              55
_journal_page_last               69
_journal_paper_doi               10.2465/jmps.100.55
_journal_volume                  100
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'A -2ya'
_symmetry_space_group_name_H-M   'A 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.72
_cell_angle_gamma                90
_cell_length_a                   25.919
_cell_length_b                   5.004
_cell_length_c                   18.540
_cell_formula_units_Z            48
_cell_volume                     2128.639
_database_code_amcsd             0013133
_diffrn_ambient_temperature      373
_exptl_crystal_density_diffrn    2.250
_cod_original_formula_sum        'Si O2'
_cod_database_code               9013492
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+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
Si1 -0.01790 0.70130 0.03140
Si2 0.01120 0.20060 -0.03830
Si3 0.14690 0.21210 0.04590
Si4 0.18140 0.71320 -0.01510
Si5 0.30980 0.70840 0.01260
Si6 0.34810 0.21140 -0.04440
Si7 0.04200 0.79420 0.21930
Si8 0.11630 0.29500 0.29780
Si9 0.20610 0.30770 0.23290
Si10 0.28360 0.80560 0.27120
Si11 0.36870 0.70120 0.20160
Si12 0.44370 0.20100 0.27150
O1 -0.08380 0.75200 0.01160
O2 -0.00080 0.90300 -0.01990
O3 -0.01220 0.39800 0.00720
O4 0.07830 0.24900 -0.01050
O5 0.18000 0.41600 0.01590
O6 0.16570 -0.08800 0.03990
O7 0.24370 0.77400 -0.00740
O8 0.31250 0.41300 -0.01670
O9 0.32890 -0.08900 -0.03650
O10 0.02310 0.74500 0.12490
O11 0.16250 0.26700 0.13780
O12 0.35270 0.73800 0.10870
O13 -0.01330 0.74900 0.23260
O14 0.06510 0.09500 0.24230
O15 0.09390 0.59500 0.27510
O16 0.17230 0.24900 0.28530
O17 0.23040 0.60700 0.25020
O18 0.25950 0.10700 0.26060
O19 0.31140 0.75600 0.21200
O20 0.39020 0.40300 0.22990
O21 0.41970 0.90300 0.25580
O22 0.13380 0.24400 0.39140
O23 0.33390 0.76300 0.36290
O24 0.47690 0.25000 0.36580
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013133
