data_2002142
_chemical_name_systematic          'Copper manganese tellurate (0.21/2.79/1)'
_chemical_formula_structural       '(Cu.21 Mn2.79) (Te O6)'
_chemical_formula_analytical       'Cu.34 Mn2.42 Te O6'
_chemical_formula_sum              'Cu.21 Mn2.79 O6 Te'
_publ_section_title
;
Zur Kristallchemie von Telluraten mit Mn2+ im kationischen und
anionischen Teil der Kristallstruktur: (Mn2.4 Cu0.6) Te O6, Ba2 Mn Te
O6 und Pb (Mn0.5 Te0.5) O3
;
loop_
_publ_author_name
  'Wulff, L'
  'Wedel, B'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    53
_journal_year                      1998
_journal_page_first                49
_journal_page_last                 52
_cell_length_a                     8.8262(8)
_cell_length_b                     8.8262(8)
_cell_length_c                     10.687(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       721.0
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  Mn2+   2.000
  Cu2+   2.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Te1   Te6+   3 a 0. 0. 0. 1.  0 d
  Te2   Te6+   3 b 0. 0. 0.5 1.  0 d
  Mn1   Mn2+  18 f 0.26234(7) 0.22336(7) 0.28708(5) 0.93(2)  0 d
  Cu1   Cu2+  18 f 0.26234(7) 0.22336(7) 0.28708(5) 0.07(2)  0 d
  O1    O2-   18 f 0.4897(3) 0.6389(3) 0.0567(3) 1.  0 d
  O2    O2-   18 f 0.5312(4) 0.8301(4) 0.7638(3) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Te1   0.0055(2) 0.00277(9) 0. 0.0055(2) 0. 0.0083(3)
  Te2   0.0061(2) 0.00303(9) 0. 0.0061(2) 0. 0.0081(3)
  Mn1   0.0102(3) 0.0058(2) 0.0004(2) 0.0094(3) 0.0001(2) 0.0114(3)
  Cu1   0.0102(3) 0.0058(2) 0.0004(2) 0.0094(3) 0.0001(2) 0.0114(3)
  O1    0.0119(11) 0.0076(9) 0.0032(10) 0.0134(12) 0.0012(10) 0.0124(11)
  O2    0.0099(12) 0.0038(10) -0.0045(10) 0.0179(12) -0.0033(11) 0.0137(12)
_refine_ls_R_factor_all            0.0349