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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530417.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_1530417
loop_
_publ_author_name
'Meyer, G.'
'Dietzel, E.'
_publ_section_title
;
 Zur Struktursystematik der Elpasolith-Familie (I). Neue Chloride A(I)2
 B(I) M(III) Cl6 (A(I) = Rb, Tl, In, K, B(I) = Li, Ag, Na)
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              189
_journal_page_last               202
_journal_volume                  16
_journal_year                    1979
_chemical_formula_sum            'Cl6 Na Rb2 Tm'
_chemical_name_systematic        'Rb2 Na Tm Cl6'
_space_group_IT_number           125
_symmetry_space_group_name_Hall  'P 4 2 -1ab'
_symmetry_space_group_name_H-M   'P 4/n b m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.53
_cell_length_b                   10.53
_cell_length_c                   10.599
_cell_volume                     1175.227
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Meyer_RVCMA8_1979_431.cif
_cod_data_source_block           Cl6Na1Rb2Tm1
_cod_original_sg_symbol_Hall     '-P 4a 2b (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Cl6 Na1 Rb2 Tm1'
_cod_database_code               1530417
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y+1/2,-x+1/2,-z
x+1/2,y+1/2,-z
-y+1/2,x+1/2,-z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Na2 Na+1 0.5 0 0 1 0.0
Cl2 Cl-1 0.247 0 0 1 0.0
Cl3 Cl-1 0 0.5 0.253 1 0.0
Rb1 Rb+1 0.249 0.251 0.249 1 0.0
Tm1 Tm+3 0 0 0 1 0.0
Na1 Na+1 0.5 0.5 0.5 1 0.0
Cl1 Cl-1 0 0 0.245 1 0.0
Tm2 Tm+3 0 0.5 0.5 1 0.0
Cl4 Cl-1 0.255 0 0.5 1 0.0
