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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536768.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_1536768
loop_
_publ_author_name
'Klevtsova, R.F.'
'Bazarova, Zh.G.'
'Klevtsov, P.V.'
'Alekseev, V.I.'
'Arkhincheeva, S.I.'
'Glinskaya, L.A.'
'Bazarov, B.G.'
_publ_section_title
;
 Crystal structure study of K (Mg0.5 Zr0.5) (Mo O4)2 ternary molybdate
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              891
_journal_page_last               894
_journal_volume                  36
_journal_year                    1995
_chemical_formula_sum            'K Mg0.5 Mo2 O8 Zr0.5'
_chemical_name_systematic        'K (Mg0.5 Zr0.5) (Mo O4)2'
_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                   5.763
_cell_length_b                   5.763
_cell_length_c                   7.187
_cell_volume                     206.717
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Klevtsova_ZSTKAI_1995_1509.cif
_cod_data_source_block           K1Mg0.5Mo2O8Zr0.5
_cod_original_cell_volume        206.7167
_cod_original_formula_sum        'K1 Mg0.5 Mo2 O8 Zr0.5'
_cod_database_code               1536768
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
O1 O-2 0.3333 0.6667 0.4894 1 0.0
Zr1 Zr+4 0 0 0 0.5 0.0
O2 O-2 0.1647 0.8353 0.1737 1 0.0
Mg1 Mg+2 0 0 0 0.5 0.0
Mo1 Mo+6 0.3333 0.6667 0.25116 1 0.0
K1 K+1 0 0 0.5 1 0.0
