#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106525.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106525
loop_
_publ_author_name
'Isobe, M.'
'Marumo, F.'
'Iwai, S.I.'
'Kimura, M.'
_publ_section_title
;
 Calcium tetratantalate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              908
_journal_page_last               910
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ca O11 Ta4'
_chemical_name_systematic        'Ca (Ta4 O11)'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.2173
_cell_length_b                   6.2173
_cell_length_c                   12.271
_cell_volume                     410.785
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Isobe_ACBCAR_1975_1945.cif
_cod_data_source_block           Ca1O11Ta4
_cod_original_cell_volume        410.7847
_cod_original_formula_sum        'Ca1 O11 Ta4'
_cod_database_code               2106525
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-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
Ca1 Ca+2 0.6667 0.3333 0.25 1 0.0
Ta1 Ta+5 0.3589 0.3589 0.5 1 0.0
O1 O-2 0.371 0.43 0.344 1 0.0
Ta2 Ta+5 0.3333 0.6667 0.25 1 0.0
O3 O-2 0.3333 0.6667 0.538 1 0.0
O2 O-2 0.75 0.75 0.5 1 0.0
