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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012791.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_9012791
loop_
_publ_author_name
'Tsurumi, T.'
'Hirano, Y.'
'Kato, H.'
'Kamiya, T.'
'Daimon, M.'
_publ_section_title
;
 Crystal structure and hydration of belite
;
_journal_name_full               'Ceramic Transactions'
_journal_page_first              19
_journal_page_last               25
_journal_volume                  40
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 O4 Si'
_chemical_name_mineral           Larnite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.597
_cell_angle_gamma                90
_cell_length_a                   5.5075
_cell_length_b                   6.7509
_cell_length_c                   9.3055
_cell_formula_units_Z            4
_cell_volume                     344.871
_database_code_amcsd             0012181
_exptl_crystal_density_diffrn    3.317
_cod_original_formula_sum        'Ca2 Si O4'
_cod_database_code               9012791
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.22700 0.34200 0.43000
Ca2 0.22000 -0.00200 -0.29800
Si 0.26700 -0.21800 0.41800
O1 0.21700 0.00900 0.44000
O2 0.02000 -0.33100 0.36400
O3 0.47600 -0.25200 0.31000
O4 0.34300 -0.32900 -0.42900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012181
