#------------------------------------------------------------------------------
#$Date: 2015-07-13 21:12:34 +0200 (lun 13 de jul de 2015) $
#$Revision: 150882 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528513.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_1528513
loop_
_publ_author_name
'Gatehouse, B.M.'
'Lloyd, D.J.'
_publ_section_title
;
 The crystal structure of beta-K2 Zr2 O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              478
_journal_page_last               483
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'K2 O5 Zr2'
_chemical_name_systematic        'K2 (Zr2 O5)'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.85
_cell_length_b                   10.79
_cell_length_c                   8.76
_cell_volume                     552.944
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gatehouse_JSSCBI_1970_1915.cif
_cod_data_source_block           K2O5Zr2
_cod_original_cell_volume        552.9443
_cod_database_code               1528513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-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
O2 O-2 0.25 0 0.255 1 0.0
O4 O-2 0.04 0.25 0.25 1 0.0
O3 O-2 0.25 0 0.677 1 0.0
K1 K+1 0.438 0.334 0.077 1 0.0
O1 O-2 0.136 0.398 0.554 1 0.0
Zr1 Zr+4 0.9697 0.0763 0.1603 1 0.0
