#------------------------------------------------------------------------------
#$Date: 2017-09-03 22:29:29 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200144 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/03/1000305.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_1000305
loop_
_publ_author_name
'Hemon, A.'
'Courbion, G.'
_publ_section_title
;
 Synthesis and crystal structures of β-NaSrCrF₆ and NaSrFeF₆.
 Structural correlations with A₂MF₆ compounds
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              519
_journal_page_last               531
_journal_volume                  29
_journal_year                    1992
_chemical_formula_structural     'Na Sr (Cr F6)'
_chemical_formula_sum            'Cr F6 Na Sr'
_chemical_name_systematic
;
Sodium strontium hexafluorochromate(III) - β
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 93.201(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5676(3)
_cell_length_b                   9.2937(7)
_cell_length_c                   9.5858(5)
_cell_volume                     495.2
_refine_ls_R_factor_all          0.03
_cod_database_code               1000305
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 4 e 0.23779(4) 0.82376(3) 0.99032(2) 1. 0 d
Cr1 Cr3+ 4 e 0.2303(1) 0.41834(4) 0.76361(4) 1. 0 d
Na1 Na1+ 4 e 0.7219(3) 0.5473(2) 0.8784(2) 1. 0 d
F1 F1- 4 e 0.4690(3) 0.4770(2) 0.6398(2) 1. 0 d
F2 F1- 4 e 0.8534(3) 0.7635(2) 0.8553(2) 1. 0 d
F3 F1- 4 e 0.9886(3) 0.3688(2) 0.8860(2) 1. 0 d
F4 F1- 4 e 0.6874(3) 0.4159(2) 0.1249(2) 1. 0 d
F5 F1- 4 e 0.4690(4) 0.1842(2) 0.3689(2) 1. 0 d
F6 F1- 4 e 0.9968(3) 0.5248(2) 0.6510(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Cr3+ 3.000
Na1+ 1.000
F1- -1.000
