#------------------------------------------------------------------------------
#$Date: 2015-10-13 12:06:35 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167033 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538466.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538466
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 Die Kristallstruktur von Fe2 Te4 O11
;
_journal_name_full
;
Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)
;
_journal_page_first              39
_journal_page_last               55
_journal_volume                  18
_journal_year                    1972
_chemical_formula_sum            'Fe2 O11 Te4'
_chemical_name_systematic        'Fe2 Te4 O11'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.88
_cell_length_b                   6.95
_cell_length_c                   14.13
_cell_volume                     970.267
_citation_journal_id_ASTM        MPMTAG
_cod_data_source_file            Pertlik_MPMTAG_1972_574.cif
_cod_data_source_block           Fe2O11Te4
_cod_original_cell_volume        970.2665
_cod_database_code               1538466
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O8 O-2 0.4588 0.3153 0.2159 1 0.0
O7 O-2 0.7085 0.1824 0.2925 1 0.0
O5 O-2 0.0522 0.2454 0.2717 1 0.0
Te4 Te+4 0.99798 0.25697 0.47625 1 0.0
O9 O-2 0.1797 0.2799 0.1173 1 0.0
O11 O-2 0.4641 0.4512 0.3998 1 0.0
Fe1 Fe+3 0.88127 0.24985 0.12451 1 0.0
Te1 Te+4 0.62477 0.29444 0.6334 1 0.0
Te2 Te+4 0.22897 0.20311 0.33659 1 0.0
O3 O-2 0.7551 0.0557 0.1243 1 0.0
O4 O-2 0.7989 0.4121 0.1785 1 0.0
O2 O-2 0.9296 0.0522 0.0314 1 0.0
O10 O-2 0.2723 0.2202 0.4837 1 0.0
Te3 Te+4 0.60416 0.09758 0.8562 1 0.0
O6 O-2 0.6413 0.1784 0.4332 1 0.0
O1 O-2 0.9058 0.4239 0.0307 1 0.0
Fe2 Fe+3 0.71422 0.54745 0.901 1 0.0
