#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/73/9007387.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007387
loop_
_publ_author_name
'Liferovich, R. P.'
'Mitchell, R. H.'
_publ_section_title
;
 Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn:
 synthesis and crystal structures
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              442
_journal_page_last               449
_journal_paper_doi               10.1007/s00269-005-0020-7
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Mg0.333 Ni0.333 O3 Ti Zn0.333'
_chemical_name_mineral           Geikielite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0544
_cell_length_b                   5.0544
_cell_length_c                   13.8737
_cell_formula_units_Z            6
_cell_volume                     306.946
_database_code_amcsd             0008980
_exptl_crystal_density_diffrn    4.718
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Ni.333 Zn.333 Mg.333) Ti O3'
_cod_database_code               9007387
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NiA 0.00000 0.00000 0.35550 0.33333 0.00722
ZnA 0.00000 0.00000 0.35550 0.33333 0.00722
MgA 0.00000 0.00000 0.35550 0.33333 0.00722
TiB 0.00000 0.00000 0.14520 1.00000 0.00456
O1 0.31880 0.01970 0.24420 1.00000 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008980
