#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527331.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527331
loop_
_publ_author_name
'Ehrhardt, H.'
'Schweer, H.'
'Seidel, H.'
_publ_section_title
;
 Hochdrucksynthesen einiger Carbonate mit ueberkritischem C O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              185
_journal_page_last               198
_journal_volume                  462
_journal_year                    1980
_chemical_formula_sum            'C Cs2 O3'
_chemical_name_systematic        'Cs2 C O3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.12
_cell_length_b                   10.27
_cell_length_c                   8.14
_cell_volume                     508.954
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ehrhardt_ZAACAB_1980_953.cif
_cod_data_source_block           C1Cs2O3
_cod_original_cell_volume        508.9541
_cod_original_formula_sum        'C1 Cs2 O3'
_cod_database_code               1527331
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs2 Cs+1 0.248 0.411 0.683 1 0.0
O2 O-2 0.102 0.378 0.279 1 0.0
O1 O-2 0.295 0.551 0.207 1 0.0
Cs1 Cs+1 0.24 0.796 0.499 1 0.0
O3 O-2 0.367 0.352 0.11 1 0.0
C1 C+4 0.255 0.427 0.199 1 0.0
