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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007066.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_1007066
loop_
_publ_author_name
'Joubert, J C'
'Durif, A'
_publ_section_title
;
Etude de deux types d'ordre dans le spinelle Mn~3~ Li~2~ Zn O~8~
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              4482
_journal_page_last               4485
_journal_volume                  258
_journal_year                    1964
_chemical_formula_structural     'Mn3 Li2 Zn O8'
_chemical_formula_sum            'Li2 Mn3 O8 Zn'
_chemical_name_systematic        'Trimanganese(IV) dilithium zinc oxide'
_space_group_IT_number           212
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.193(3)
_cell_length_b                   8.193(3)
_cell_length_c                   8.193(3)
_cell_volume                     550.0
_cod_database_code               1007066
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
z,x,y
-z,1/2+x,1/2-y
1/2-z,-x,1/2+y
1/2+z,1/2-x,-y
y,z,x
1/2+y,1/2-z,-x
-y,1/2+z,1/2-x
1/2-y,-z,1/2+x
1/4-x,1/4-z,1/4-y
3/4+x,3/4-z,1/4+y
1/4-y,1/4-x,1/4-z
3/4+y,3/4-x,1/4+z
1/4-z,1/4-y,1/4-x
3/4+z,3/4-y,1/4+x
3/4-x,1/4+z,3/4+y
1/4+x,3/4+z,3/4-y
3/4-y,1/4+x,3/4+z
1/4+y,3/4+x,3/4-z
3/4-z,1/4+y,3/4+x
1/4+z,3/4+y,3/4-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Li1 Li1+ 4 b 0.125 0.125 0.125 1. 0 d
Mn1 Mn4+ 12 d 0.125 0.375 -0.125 1. 0 d
Zn1 Zn2+ 8 c 0. 0. 0. 0.5 0 d
Li2 Li1+ 8 c 0. 0. 0. 0.5 0 d
O1 O2- 24 e 0.125 0.125 0.375 1. 0 d
O2 O2- 8 c 0.375 0.375 0.375 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Mn4+ 4.000
Zn2+ 2.000
O2- -2.000