#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/77/1537704.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_1537704
loop_
_publ_author_name
'Chen, T.-M.'
'Corbett, J.D.'
_publ_section_title
;
 Synthesis, structure, and stability of Cs4 Zr O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              50
_journal_page_last               56
_journal_volume                  553
_journal_year                    1987
_chemical_formula_sum            'Cs4 O4 Zr'
_chemical_name_systematic        'Cs4 Zr O4'
_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                 113.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.163
_cell_length_b                   19.919
_cell_length_c                   7.158
_cell_volume                     939.765
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Chen_ZAACAB_1987_1855.cif
_cod_data_source_block           Cs4O4Zr1
_cod_original_cell_volume        939.7648
_cod_original_formula_sum        'Cs4 O4 Zr1'
_cod_database_code               1537704
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 0.7025 0.217 0.1803 1 0.0
Cs1 Cs+1 0.2197 0.5154 0.2491 1 0.0
O3 O-2 0.003 0.3331 0.522 1 0.0
O1 O-2 0.427 0.3108 0.895 1 0.0
Cs4 Cs+1 0.3411 0.5819 0.7742 1 0.0
O4 O-2 0.5945 0.5945 0.464 1 0.0
Zr1 Zr+4 0.2546 0.37725 0.7009 1 0.0
O2 O-2 0.21 0.451 0.861 1 0.0
Cs3 Cs+1 0.1828 0.31196 0.1787 1 0.0
