#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000289.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_1000289
loop_
_publ_author_name
'Hemon, A'
'Courbion, G'
_publ_section_title
;
NaSr₂CrF₈: a new structure with two "independent F⁻"
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              344
_journal_page_last               349
_journal_paper_doi               10.1016/0022-4596(90)90036-W
_journal_volume                  87
_journal_year                    1990
_chemical_formula_structural     'Na Sr2 (Cr F6) F2'
_chemical_formula_sum            'Cr F8 Na Sr2'
_chemical_name_systematic
;
Sodium distrontium hexafluorochromate(III) difluoride
;
_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                 112.03(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7388(6)
_cell_length_b                   6.2756(5)
_cell_length_c                   14.827(2)
_cell_volume                     667.5
_refine_ls_R_factor_all          0.04
_cod_database_code               1000289
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 0.09900(4) 0.27654(5) 0.19682(2) 1. 0 d
Sr2 Sr2+ 4 e 0.41468(4) 0.84217(5) 0.35578(2) 1. 0 d
Cr1 Cr3+ 4 e 0.69368(7) 0.27844(8) 0.40287(4) 1. 0 d
Na1 Na1+ 4 e 0.8553(3) 0.8234(3) 0.0585(1) 1. 0 d
F1 F1- 4 e 0.1746(3) 0.8737(4) 0.1771(2) 1. 0 d
F2 F1- 4 e 0.8546(3) 0.5527(3) 0.1560(1) 1. 0 d
F3 F1- 4 e 0.0824(3) 0.8014(4) 0.9848(2) 1. 0 d
F4 F1- 4 e 0.8147(3) 0.0540(3) 0.1736(2) 1. 0 d
F5 F1- 4 e 0.6458(3) 0.9319(3) 0.9162(2) 1. 0 d
F6 F1- 4 e 0.5266(3) 0.7358(4) 0.2149(2) 1. 0 d
F7 F1- 4 e 0.7456(3) 0.5147(3) 0.8898(2) 1. 0 d
F8 F1- 4 e 0.4531(3) 0.6880(4) 0.0280(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Cr3+ 3.000
Na1+ 1.000
F1- -1.000
