#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536685.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_1536685
loop_
_publ_author_name
'Klein, U.'
'Massa, W.'
_publ_section_title
;
 Jahn-Teller Ordnung in Mangan(III)-fluoridsulfaten.I. Kristallstrukturen
 von Verbindungen A2 (Mn F3 (S O4)) (A = Rb, N H4, Cs)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1168
_journal_page_last               1172
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'F3 Mn O4 Rb2 S'
_chemical_name_systematic        'Rb2 (Mn F3 (S O4))'
_space_group_IT_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                 92.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.271
_cell_length_b                   11.091
_cell_length_c                   8.776
_cell_volume                     707.170
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klein_ZAACAB_2002_530.cif
_cod_data_source_block           F3Mn1O4Rb2S1
_cod_original_cell_volume        707.1695
_cod_original_formula_sum        'F3 Mn1 O4 Rb2 S1'
_cod_database_code               1536685
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
F3 F-1 0.2396 0.0025 0.0994 1 0.0
Mn2 Mn+3 0 0 0 1 0.0
O4 O-2 0.8246 0.0977 0.3956 1 0.0
O1 O-2 0.1058 0.4441 0.2885 1 0.0
O2 O-2 0.6049 0.0539 0.1966 1 0.0
Rb2 Rb+1 -0.29484 0.31053 0.1764 1 0.0
Rb1 Rb+1 0.19928 0.18905 0.32702 1 0.0
F2 F-1 -0.0262 0.1582 0.0444 1 0.0
S1 S+6 0.74882 -0.00104 0.30465 1 0.0
O3 O-2 0.6645 -0.0951 0.3923 1 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
F1 F-1 0.4791 0.3421 0.4474 1 0.0
