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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/1/53/01/1530176.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_1530176
loop_
_publ_author_name
'Klevtsova, R.F.'
'Klevtsov, P.V.'
_publ_section_title
;
 Crystal structure of the double molybdate K2 Ni (Mo O4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              261
_journal_page_last               265
_journal_volume                  23
_journal_year                    1978
_chemical_formula_sum            'K2 Mo2 Ni O8'
_chemical_name_systematic        'K2 Ni (Mo O4)2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.469
_cell_length_b                   19.035
_cell_length_c                   10.84
_cell_volume                     1747.488
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Klevtsova_KRISAJ_1978_309.cif
_cod_data_source_block           K2Mo2Ni1O8
_cod_original_formula_sum        'K2 Mo2 Ni1 O8'
_cod_database_code               1530176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,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
Ni1 Ni+2 0.1784 0 0 1 0.0
K2 K+1 0 0.3686 0.0685 1 0.0
O5 O-2 0 0.3152 0.31 1 0.0
O1 O-2 0.5 0.4987 0.1265 1 0.0
O3 O-2 0.3378 0.4989 0.364 1 0.0
Mo2 Mo+6 0 0.343 0.4644 1 0.0
O6 O-2 0.1748 0.3904 0.5003 1 0.0
K1 K+1 0.25 0.2131 0.25 1 0.0
O2 O-2 0.5 0.6229 0.292 1 0.0
Mo1 Mo+6 0.5 0.5315 0.2834 1 0.0
O4 O-2 0 0.2671 0.5572 1 0.0
