#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/02/1540222.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_1540222
loop_
_publ_author_name
'Keane, P.M.'
'Ibers, J.A.'
_publ_section_title
;
 Synthesis, structure, and physical properties of the new group IV ternary
 tellurides, Cu2 M Te3 (M = Ti, Zr, Hf)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               297
_journal_volume                  93
_journal_year                    1991
_chemical_formula_sum            'Cu2 Hf Te3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.16
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.188
_cell_length_b                   4.054
_cell_length_c                   7.216
_cell_volume                     585.968
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Keane_JSSCBI_1991_624.cif
_cod_data_source_block           Cu2Hf1Te3
_cod_original_cell_volume        585.9677
_cod_original_formula_sum        'Cu2 Hf1 Te3'
_cod_database_code               1540222
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Cu2 Cu 0.952916 0 0.84751 1 0.0
Te2 Te 0.417792 0 0.632612 1 0.0
Te1 Te 0.248328 0 0.214784 1 0.0
Cu1 Cu 0.287865 0 0.57071 1 0.0
Te3 Te 0.916719 0 0.179629 1 0.0
Hf1 Hf 0.35375 0 0.94544 1 0.0
