#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/21/1532196.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_1532196
loop_
_publ_author_name
'Schmidt, R.'
'Kraus, M.'
'Mueller, B.G.'
_publ_section_title
;
 Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2344
_journal_page_last               2350
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'F11 Hf2 Na Ti'
_chemical_name_systematic        'Na (Ti Hf2 F11)'
_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                 118.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.177
_cell_length_b                   6.857
_cell_length_c                   7.524
_cell_volume                     416.949
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schmidt_ZAACAB_2001_43.cif
_cod_data_source_block           F11Hf2Na1Ti1
_cod_original_cell_volume        416.9495
_cod_original_formula_sum        'F11 Hf2 Na1 Ti1'
_cod_database_code               1532196
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
F2 F-1 0 0.3336 0 1 0.0
F5 F-1 0.00916 0.2086 0.31347 1 0.0
F1 F-1 0.3601 0 0.4189 0.5 0.0
F4 F-1 0.2633 0 0.0708 1 0.0
Na1 Na+1 0 0 0 1 0.0
F3 F-1 0.2486 0 0.653 1 0.0
Hf1 Hf+4 0.49778 0 0.2387 1 0.0
Ti1 Ti+2 0 0 0.5 1 0.0
