#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/73/9007372.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_9007372
loop_
_publ_author_name
'Kojitani, H.'
'Kido, M.'
'Akaogi, M.'
_publ_section_title
;
 Rietveld analysis of a new high-pressure strontium silicate SrSi2O5
 BaGe2O5 III-type structure
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              290
_journal_page_last               294
_journal_paper_doi               10.1007/s00269-005-0467-6
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     SrSi2O5
_chemical_formula_sum            'O5 Si2 Sr'
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2389
_cell_length_b                   9.2803
_cell_length_c                   13.4406
_cell_formula_units_Z            8
_cell_volume                     653.463
_exptl_crystal_density_diffrn    4.549
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        'Sr Si2 O5'
_cod_database_code               9007372
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr 0.00000 0.34040 0.08270 0.01710
Si1 0.00000 0.67530 0.18210 0.01026
Si2 0.00000 0.00580 0.13770 0.00380
O1 0.00000 0.51480 0.24800 0.01938
O2 0.00000 0.83200 0.10290 ?
O3 0.25000 0.24270 0.25000 0.00836
O4 0.25170 0.08960 0.09650 0.00532
_database_code_amcsd 0008965
