data_global
_chemical_name_mineral 'Carlfriesite'
loop_
_publ_author_name
'Effenberger H'
'Zemann J'
'Mayer H'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 847
_journal_page_last 852
_publ_section_title
;
 Carlfriesite: crystal structure, revision of chemical formula, and synthesis
;
_database_code_amcsd 0000684
_chemical_formula_sum 'Te3 Ca O8'
_cell_length_a 12.576
_cell_length_b 5.662
_cell_length_c 9.994
_cell_angle_alpha 90
_cell_angle_beta 115.56
_cell_angle_gamma 90
_cell_volume 641.982
_exptl_crystal_density_diffrn      5.700
_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
_atom_site_U_iso_or_equiv
Te1   0.71563   0.58751   0.85825 ?
Te2   0.00000   0.00000   0.00000 ?
Ca   0.00000   0.44040   0.25000 ?
O1   0.08040   0.21830   0.66160   0.00963
O2   0.09800   0.24410   0.11710   0.01051
O3   0.10430   0.09280   0.40680   0.00709
O4   0.68390   0.10420   0.40980   0.00849
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 0.01077 0.01087 0.00852 -0.00007 0.00453 -0.00109
Te2 0.00672 0.00842 0.00369 -0.00078 0.00139 -0.00003
Ca 0.00430 0.00570 0.00557 0.00000 0.00038 0.00000