#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/26/9012681.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_9012681
loop_
_publ_author_name
'Gobechiya, E. R.'
'Yamnova, N. A.'
'Zadov, A. E.'
'Gazeev, V. M.'
_publ_section_title
;Calcio-olivine gamma-Ca2SiO4: I. Rietveld refinement of the crystal structure
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              404
_journal_page_last               408
_journal_paper_doi               10.1134/S1063774508030073
_journal_volume                  53
_journal_year                    2008
_chemical_compound_source
'Lakargi Mountain, North Caucasus, Kabardino-Balkaria, Russia'
_chemical_formula_sum            'Ca2 O4 Si'
_chemical_name_mineral           Calcio-olivine
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.07389
_cell_length_b                   11.21128
_cell_length_c                   6.75340
_cell_formula_units_Z            4
_cell_volume                     384.166
_database_code_amcsd             0012409
_exptl_crystal_density_diffrn    2.978
_cod_original_formula_sum        'Ca2 Si O4'
_cod_database_code               9012681
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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
Cal 0.00000 0.00000 0.00000 0.04939
Ca2 0.98900 0.27960 0.25000 0.04813
Si 0.42970 0.09910 0.25000 0.04306
O1 0.74100 0.09020 0.25000 0.04559
O2 0.29500 0.96190 0.25000 0.02153
O3 0.30000 0.16040 0.05960 0.03293
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012409
