#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535657.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_1535657
loop_
_publ_author_name
'Bukovec, P.'
'Hoppe, R.'
_publ_section_title
;
 Zur Kenntnis von Ba Mn F5: Eine Jahn-Teller-verzerrte Variante von Ba Ga
 F5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              138
_journal_page_last               144
_journal_volume                  509
_journal_year                    1984
_chemical_formula_sum            'Ba F5 Mn'
_chemical_name_systematic        'Ba Mn F5'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.115
_cell_length_b                   5.811
_cell_length_c                   4.881
_cell_volume                     400.351
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bukovec_ZAACAB_1984_605.cif
_cod_data_source_block           Ba1F5Mn1
_cod_original_cell_volume        400.3507
_cod_original_formula_sum        'Ba1 F5 Mn1'
_cod_database_code               1535657
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
F5 F-1 0.2465 0.378 0.1913 1 0.0
Mn1 Mn+3 0.1655 0.63155 0.4106 1 0.0
Ba1 Ba+2 0.089 0.1155 0.0117 1 0.0
F4 F-1 0.0847 0.626 0.1198 1 0.0
F3 F-1 0.0941 0.3907 0.5483 1 0.0
F1 F-1 0.2665 0.1401 0.7513 1 0.0
F2 F-1 0.4274 0.1295 0.0642 1 0.0
