#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/24/9012413.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012413
loop_
_publ_author_name
'Clark, M. J. R.'
'Lynton, H.'
_publ_section_title
;Crystal structures of potassium, ammonium, rubidium and cesium
 tetrafluoroborates
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2579
_journal_page_last               2586
_journal_paper_doi               10.1139/v69-426
_journal_volume                  47
_journal_year                    1969
_chemical_formula_structural     Rb(BF4)
_chemical_formula_sum            'B F4 Rb'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.296
_cell_length_b                   9.108
_cell_length_c                   5.636
_cell_formula_units_Z            4
_cell_volume                     374.523
_database_code_amcsd             0012156
_exptl_crystal_density_diffrn    3.055
_cod_original_formula_sum        'Rb B F4'
_cod_database_code               9012413
_amcsd_formula_title             Rb(BF4)
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Rb 0.02432 0.02286 0.03597 0.00327 0.00223 -0.00135
B 0.01599 0.03106 0.03325 -0.00434 0.02219 -0.02067
F1 0.07276 0.03950 0.07003 -0.01017 -0.00331 -0.05032
F2 0.02182 0.07623 0.05661 0.07968 0.01087 0.02195
F3 0.04210 0.04488 0.03123 -0.00680 0.01200 -0.00343
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb 0.16209 0.18686 0.25000
B 0.69640 0.05894 0.25000
F1 0.61790 -0.08459 0.25000
F2 0.56730 0.16224 0.25000
F3 0.80056 0.07436 0.04863
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012156
