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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/98/1539895.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_1539895
loop_
_publ_author_name
'Bronger, W.'
'Balk-Hardtdegen, H.'
'Schmitz, D.'
_publ_section_title
;
 Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X
 = S, Se oder Te
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              99
_journal_page_last               106
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'Mn Rb2 Se2'
_chemical_name_systematic        'Rb2 (Mn Se2)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.352
_cell_length_b                   13.711
_cell_length_c                   6.574
_cell_volume                     662.681
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1989_394.cif
_cod_data_source_block           Mn1Rb2Se2
_cod_original_cell_volume        662.6807
_cod_original_formula_sum        'Mn1 Rb2 Se2'
_cod_database_code               1539895
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,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+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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
Rb1 Rb+1 0.3393 0.14753 0 1 0.0
Se1 Se-2 0.1902 0.89752 0 1 0.0
Mn1 Mn+2 0 0 0.25 1 0.0
