data_global
_amcsd_formula_title 'LuMnO3'
loop_
_publ_author_name
'Van Aken B B'
'Meetsma A'
'Palstra T T M'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 57 
_journal_year 2001
_journal_page_first i101
_journal_page_last i103
_publ_section_title
;
 Hexagonal LuMnO3 revisited
;
_database_code_amcsd 0010367
_chemical_formula_sum 'Lu Mn O3'
_cell_length_a 6.0380
_cell_length_b 6.0380
_cell_length_c 11.3610
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 358.702
_exptl_crystal_density_diffrn      7.719
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Lu1   0.00000   0.00000   0.27394   0.00438
Lu2   0.33333   0.66667   0.23038   0.00460
Mn  -0.33550  -0.33550  -0.00077   0.00480
O1  -0.30700  -0.30700   0.16420   0.00530
O2  -0.36140  -0.36140  -0.16380   0.00680
O3   0.00000   0.00000  -0.02850   0.00340
O4   0.33333   0.66667   0.01900   0.00770
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Lu1 0.00440 0.00440 0.00430 0.00220 0.00000 0.00000
Lu2 0.00410 0.00410 0.00560 0.00210 0.00000 0.00000
Mn 0.00530 0.00530 0.00230 0.00160 -0.00050 -0.00050
O1 0.00700 0.00700 0.00400 0.00500 0.00150 0.00150
O2 0.00600 0.00600 0.00700 0.00200 -0.00180 -0.00180
O3 0.00400 0.00400 0.00200 0.00190 0.00000 0.00000
O4 0.00900 0.00900 0.00500 0.00450 0.00000 0.00000