data_9004452
_publ_section_title
;
 The crystal structure of leisingite, (Cu,Mg,Zn)2(Mg,Fe)TeO6.6H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              759
_journal_page_last               763
_journal_volume                  35
_journal_year                    1997
_chemical_formula_sum            'Cu2 Mg O12 Te'
_chemical_name_mineral           Leisingite
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.316
_cell_length_b                   5.316
_cell_length_c                   9.719
_cell_volume                     237.860
_exptl_crystal_density_diffrn    3.288
_[local]_cod_chemical_formula_sum_orig 'Te Cu2 Mg O12'
_cod_database_code               9004452
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,-y,z
y,-x+y,-z
-y,-x,-z
-x+y,-x,z
-x,-x+y,z
-x,-y,-z
-x+y,y,-z
-y,x-y,z
y,x,z
x-y,x,-z
x,x-y,-z
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
Te 0.01140 0.01140 0.06000 0.00570 0.00000 0.00000
Cu 0.01150 0.01150 0.03000 0.00580 0.00000 0.00000
Mg 0.01400 0.01400 0.03800 0.00710 0.00000 0.00000
O1 0.03100 0.03200 0.06300 0.01600 -0.01700 0.00000
O2 0.07900 0.24300 0.04500 0.12100 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te 0.00000 0.00000 0.00000
Cu 0.33333 0.66667 0.00000
Mg 0.00000 0.00000 0.50000
O1 0.30700 0.00000 0.10450
O2 0.30700 0.00000 0.37690
