#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010094.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_1010094
loop_
_publ_author_name
'Hoard, J L'
'Blair, V'
_publ_section_title
;
The Crystal Structures of Rubidium and Ammonium Fluoborates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1985
_journal_page_last               1988
_journal_paper_doi               10.1021/ja01313a067
_journal_volume                  57
_journal_year                    1935
_chemical_formula_structural     'Rb B F4'
_chemical_formula_sum            'B F4 Rb'
_chemical_name_systematic        'Rubidium tetrafluoroborate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.07
_cell_length_b                   5.6
_cell_length_c                   7.23
_cell_volume                     367.2
_cod_database_code               1010094
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,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
Rb1 Rb1+ 4 c 0.315 0.25 0.335 1. 0 d
B1 B3+ 4 c 0.932 0.25 0.696 1. 0 d
F1 F1- 4 c 0.069 0.25 0.597 1. 0 d
F2 F1- 4 c 0.813 0.25 0.567 1. 0 d
F3 F1- 8 d 0.923 0.043 0.81 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rb1+ 1.000
B3+ 3.000
F1- -1.000
