#------------------------------------------------------------------------------
#$Date: 2023-03-27 10:00:38 +0300 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/74/9017424.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_9017424
loop_
_publ_author_name
'Yamnova, N. A.'
'Zubkova, N. V.'
'Eremin, N. N.'
'Zadov, A. E.'
'Gazeev, V. M.'
_publ_section_title
;
 Crystal structure of larnite beta-Ca2SiO4 and specific features
 of polymorphic transitions in dicalcium orthosilicate
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              210
_journal_page_last               220
_journal_volume                  56
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 O4 Si'
_chemical_name_mineral           Larnite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.513
_cell_angle_gamma                90
_cell_length_a                   5.5051
_cell_length_b                   6.7551
_cell_length_c                   9.3108
_cell_volume                     345.172
_database_code_amcsd             0020214
_exptl_crystal_density_diffrn    3.314
_cod_data_source_file            inputs/fixed/downloads/14/14893.cif
_cod_data_source_block           14893
_cod_original_formula_sum        'Ca2 Si O4'
_cod_database_code               9017424
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
_atom_site_U_iso_or_equiv
Ca1 0.22070 -0.00240 0.70200 0.00900
Ca2 0.22730 0.34260 0.43030 0.01080
Si 0.23280 0.28130 0.08160 0.00700
O1 0.28280 0.51210 0.06000 0.01060
O2 0.02120 0.24810 0.19190 0.01140
O3 0.48670 0.16830 0.13810 0.01100
O4 0.15610 0.17120 -0.07250 0.01120
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020214
