#------------------------------------------------------------------------------
#$Date: 2015-10-11 15:19:49 +0200 (dom 11 de oct de 2015) $
#$Revision: 165749 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537534.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_1537534
loop_
_publ_author_name
'Klevtsova, R.F.'
'Vasil'ev, A.D.'
'Bazarov, B.G.'
'Glinskaya, L.A.'
'Klevtsov, P.V.'
'Bazarova, Zh.G.'
_publ_section_title
;
 Crystal structure investigation of ternary molybdate of potassium,
 manganese, zirconium with the nasicon type structure
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              963
_journal_page_last               966
_journal_volume                  44
_journal_year                    2003
_chemical_formula_sum            'K0.52 Mn0.94 Mo3 O12 Zr0.9'
_chemical_name_systematic        'K0.52 (Mn0.47 Zr0.45)2 (Mo O4)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.474
_cell_length_b                   9.474
_cell_length_c                   24.371
_cell_volume                     1894.396
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Klevtsova_ZSTKAI_2003_474.cif
_cod_data_source_block           K0.52Mn0.94Mo3O12Zr0.9
_cod_database_code               1537534
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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 0.0309 0.193 0.1919 1 0.0
Zr1 Zr+4 0 0 0.142 0.45 0.0
Mn1 Mn+2 0 0 0.142 0.47 0.0
O2 O-2 0.1891 0.1616 0.0917 1 0.0
Mo1 Mo+6 0.283 0 0.25 1 0.0
K1 K+1 0 0 0 0.52 0.0
