data_9004904
_chemical_name 'Ecandrewsite'
loop_
_publ_author_name
'Mitchell R H'
'Liferovich R P'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 42
_journal_year 2004
_journal_page_first 1871
_journal_page_last 1880
_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
;
_chemical_formula_sum '(Mn.2 Zn.8) Ti O3'
_cell_length_a 5.08849
_cell_length_b 5.08849
_cell_length_c 13.9937
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 313.791
_symmetry_space_group_name_H-M 'R -3'
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_Uiso_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