data_global
_chemical_name_mineral 'Spiroffite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 821
_journal_page_last 826
_publ_section_title
;
 The crystal structure of spiroffite
;
_database_code_amcsd 0005504
_chemical_compound_source 'Moctezuma, Sonora, Mexico'
_chemical_formula_sum 'Te3 Mn2 O8'
_cell_length_a 12.870
_cell_length_b 5.3813
_cell_length_c 11.888
_cell_angle_alpha 90
_cell_angle_beta 98.22
_cell_angle_gamma 90
_cell_volume 814.873
_exptl_crystal_density_diffrn      5.059
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te1   0.50000   0.36091   0.25000
Te2   0.13776   0.18589   0.05780
Mn   0.22883   0.19870   0.35050
O1   0.07540   0.07610   0.35320
O2   0.38460   0.38530   0.35830
O3   0.26130   0.01580   0.02890
O4   0.19610   0.36120   0.18720
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
Te1 0.00920 0.01060 0.01050 0.00000 0.00140 0.00000
Te2 0.00960 0.01110 0.00820 0.00170 0.00080 -0.00060
Mn 0.01080 0.00980 0.00970 -0.00150 0.00180 -0.00060
O1 0.01210 0.02710 0.01210 -0.00520 0.00300 -0.00300
O2 0.01310 0.01170 0.01440 -0.00110 0.00670 -0.00290
O3 0.01070 0.01270 0.01130 0.00130 0.00460 0.00230
O4 0.02190 0.01260 0.00830 -0.00250 0.00130 -0.00130