#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017298.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_9017298
loop_
_publ_author_name
'Kato, V. K.'
'Nukui, A.'
_publ_section_title
;
 Die kristallstruktur des monoklinen tief-tridymits
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2486
_journal_page_last               2491
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.75
_cell_angle_gamma                90
_cell_length_a                   18.494
_cell_length_b                   4.991
_cell_length_c                   25.832
_cell_formula_units_Z            48
_cell_volume                     2110.152
_database_code_amcsd             0020734
_exptl_crystal_density_diffrn    2.270
_cod_data_source_file            inputs/fixed/downloads/11/11038.cif
_cod_data_source_block           11038
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017298
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+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 0.02000 0.18960 0.03800
Si2 0.20670 0.28990 0.09691
Si3 0.03490 0.70460 0.20212
Si4 0.22280 0.80460 0.26187
Si5 0.05380 0.19920 0.37631
Si6 0.24270 0.20590 0.43476
Si7 0.26800 0.78480 0.06278
Si8 0.45510 0.70400 0.12843
Si9 0.29290 0.30060 0.23294
SilO 0.48370 0.19940 0.30132
Si11 0.29910 0.71300 0.39594
Si12 0.48340 0.80830 0.46057
O1 0.00360 -0.10650 0.01410
O2 -0.00640 0.39290 -0.01580
O3 -0.03120 0.25190 0.07260
O4 -0.02180 -0.09430 0.15130
O5 0.01250 0.40460 0.18000
O6 0.02360 0.74980 0.25950
O7 0.02530 -0.09510 0.35560
O8 -0.00060 0.40270 0.32470
O9 0.04510 0.25770 0.43490
O10 0.11660 0.23230 0.08390
O11 0.12940 0.75540 0.21970
O12 0.14820 0.22800 0.39210
O13 0.23520 0.08520 0.06190
O14 0.21220 0.58700 0.07710
O15 0.26640 0.24910 0.16670
O16 0.24760 0.10220 0.25680
O17 0.27400 0.59750 0.24310
O18 0.24290 0.75010 0.32880
O19 0.27220 -0.08320 0.43280
O20 0.29140 0.41350 0.41400
O21 0.26290 0.27270 0.50080
O22 0.36310 0.75640 0.11190
O23 0.38870 0.25210 0.26910
O24 0.39220 0.76320 0.40920
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020734
