#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007957.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_9007957
loop_
_publ_author_name
'Kolitsch, U.'
_publ_section_title
;
 alpha-Cs2Cr3O10
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i164
_journal_page_last               i166
_journal_paper_doi               10.1107/S1600536803026473
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     Cs2Cr3O10
_chemical_formula_sum            'Cr3 Cs2 O10'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.887
_cell_length_b                   9.671
_cell_length_c                   19.493
_cell_formula_units_Z            8
_cell_volume                     2240.899
_database_code_amcsd             0010415
_exptl_crystal_density_diffrn    3.449
_cod_original_formula_sum        'Cs2 Cr3 O10'
_cod_database_code               9007957
_amcsd_formula_title             Cs2Cr3O10
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-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
Cs1 0.55125 0.64611 0.41642 0.02978
Cs2 0.22557 0.77409 0.32017 0.03163
Cr1 0.31124 0.50625 -0.02427 0.02531
Cr2 0.37664 0.69456 0.11292 0.02531
Cr3 0.49513 0.50362 0.23263 0.02427
O1 0.35440 0.34990 -0.02371 0.06290
O2 0.18390 0.51290 -0.05239 0.04410
O3 0.38996 0.60220 -0.07125 0.04390
O4 0.31084 0.57240 0.06318 0.03950
O5 0.28273 0.75740 0.16140 0.04910
O6 0.42874 0.81510 0.06763 0.04420
O7 0.48350 0.62420 0.16099 0.03680
O8 0.62195 0.51870 0.26009 0.04130
O9 0.40740 0.54400 0.29248 0.03450
O10 0.47130 0.34858 0.20758 0.04800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010415
