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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004904.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_9004904
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_[local]_cod_cif_authors_sg_H-M  'R -3'
loop_
_publ_author_name
'Mitchell R H'
'Liferovich R P'
_publ_section_title
;
 The pyrophanite-ecandrewsite solid-solution: crystal structures
 of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8)
 Sample: x = .8, ilmenite structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1871
_journal_page_last               1880
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'Mn0.2 O3 Ti Zn0.8'
_[local]_cod_chemical_formula_sum_orig '(Mn.2 Zn.8) Ti O3'
_chemical_name_mineral           Ecandrewsite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.08849
_cell_length_b                   5.08849
_cell_length_c                   13.9937
_cell_volume                     313.791
loop_
_symmetry_equiv_pos_as_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
Mn 0.00000 0.00000 0.36134 0.20000 0.00507
Zn 0.00000 0.00000 0.36134 0.80000 0.00507
Ti 0.00000 0.00000 0.14687 1.00000 0.00760
O 0.31952 0.02740 0.24300 1.00000 0.00633
_cod_database_code 9004904