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#$Date: 2015-07-13 03:37:27 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148966 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527401.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_1527401
loop_
_publ_author_name
'Gatehouse, B.M.'
'Nesbit, M.C.'
_publ_section_title
;
 The Crystal Structure of the 2:5 phase in the K2 O - Zr O2 System: K4 Zr5
 O12, a Compound with Octahedral and Trigonal Prismatic Zirconium(IV)
 Coordination
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              53
_journal_page_last               58
_journal_volume                  31
_journal_year                    1980
_chemical_formula_sum            'K4 O12 Zr5'
_chemical_name_systematic        'K4 Zr5 O12'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.821
_cell_length_b                   5.821
_cell_length_c                   10.437
_cell_volume                     306.268
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gatehouse_JSSCBI_1980_847.cif
_cod_data_source_block           K4O12Zr5
_cod_original_cell_volume        306.2679
_cod_database_code               1527401
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
Zr3 Zr+4 0.3333 0.6667 0.7161 1 0.0
K1 K+1 0 0 0.178 1 0.0
K2 K+1 0.3333 0.6667 0.3862 1 0.0
Zr1 Zr+4 0 0 0.5 1 0.0
Zr2 Zr+4 0.3333 0.6667 0.024 1 0.0
O1 O-2 0.1651 0.3302 0.6212 1 0.0
O2 O-2 0.4905 0.981 0.8772 1 0.0
