data_9000671
_publ_section_title
;
 Carlfriesite: crystal structure, revision of chemical formula, and synthesis
;
_journal_name_full               'American Mineralogist'
_journal_page_first              847
_journal_page_last               852
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca O8 Te3'
_chemical_name_mineral           Carlfriesite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.56
_cell_angle_gamma                90
_cell_length_a                   12.576
_cell_length_b                   5.662
_cell_length_c                   9.994
_cell_volume                     641.982
_exptl_crystal_density_diffrn    5.700
_[local]_cod_chemical_formula_sum_orig 'Te3 Ca O8'
_cod_database_code               9000671
loop_
_symmetry_equiv_pos_as_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_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
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
