data_global
_chemical_name_mineral 'Denningite'
loop_
_publ_author_name
'Miletich R'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 48 
_journal_year 1993
_journal_page_first 129
_journal_page_last 145
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.99
;
_database_code_amcsd 0014630
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn1.01 Cu.99 Te4 O10'
_cell_length_a 8.723
_cell_length_b 8.723
_cell_length_c 12.777
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 972.211
_exptl_crystal_density_diffrn      5.389
_symmetry_space_group_name_H-M 'P 42/n b c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2-y,x,1/2+z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2-z'
  '-y,1/2+x,1/2-z'
  'y,1/2-x,1/2+z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn   0.25000   0.25000   0.00000   1.00000
MnMe   0.25000   0.25000   0.25000   0.01000
CuMe   0.25000   0.25000   0.25000   0.99000
Te   0.03856   0.56784   0.38201   1.00000
O1   0.17020   0.11250   0.36090   1.00000
O2   0.02120   0.37680   0.45110   1.00000
O3   0.55140   0.55140   0.25000   1.00000
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
Mn 0.01960 0.02260 0.01510 0.00000 0.00000 0.00000
MnMe 0.02240 0.02240 0.01320 -0.00660 0.00000 0.00000
CuMe 0.02240 0.02240 0.01320 -0.00660 0.00000 0.00000
Te 0.01680 0.01680 0.01470 0.00150 0.00010 0.00120
O1 0.01890 0.01960 0.02030 -0.00260 -0.00140 0.00520
O2 0.03030 0.01500 0.01700 0.01160 0.00310 0.00410
O3 0.02930 0.02930 0.01680 -0.01770 -0.00580 0.00580