#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/27/9012789.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_9012789
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                 94.172
_cell_angle_gamma                90
_cell_length_a                   5.5041
_cell_length_b                   6.7622
_cell_length_c                   9.3281
_cell_formula_units_Z            4
_cell_volume                     346.270
_database_code_amcsd             0012179
_exptl_crystal_density_diffrn    3.304
_cod_original_formula_sum        'Ca2 Si O4'
_cod_database_code               9012789
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 0.23000 0.34200 0.43100
Ca2 0.22700 0.00000 -0.29400
Si 0.27000 -0.22000 0.41400
O1 0.21800 0.00900 0.44100
O2 0.02900 -0.32400 0.36900
O3 0.46000 -0.26000 0.31500
O4 0.32400 -0.31400 -0.42100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012179
