#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/82/1528246.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_1528246
loop_
_publ_author_name
'Zentgraf, H.'
'Claes, K.'
'Hoppe, R.'
_publ_section_title
;
 Oxide eines neuen Formeltyps: Zur Kenntnis von K3 Ni2 O4 und K3 Pt2 O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              92
_journal_page_last               105
_journal_volume                  462
_journal_year                    1980
_chemical_formula_sum            'K3 Ni2 O4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.04
_cell_length_b                   9.04
_cell_length_c                   10.56
_cell_volume                     576.593
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zentgraf_ZAACAB_1980_954.cif
_cod_data_source_block           K3Ni2O4
_cod_original_cell_volume        576.5929
_cod_database_code               1528246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
O1 O-2 0.2956 0.4322 0.8837 1 0.0
K2 K+1 0 0.7031 0.25 1 0.0
K1 K+1 0 0.3491 0.0707 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
Ni2 Ni+2 0 0.0655 0.25 1 0.0
