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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/1/52/75/1527593.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_1527593
loop_
_publ_author_name
'Jensen, S.J.'
_publ_section_title
;
 Neutron diffraction study of beta-Tb Mn Cl3, (H2 O)2
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3422
_journal_page_last               3424
_journal_volume                  24
_journal_year                    1970
_chemical_formula_sum            'Cl3 H4 Mn O2 Rb'
_chemical_name_systematic        'Rb (Mn Cl3) (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.3
_cell_angle_beta                 109.4
_cell_angle_gamma                112.9
_cell_formula_units_Z            2
_cell_length_a                   6.65
_cell_length_b                   7.01
_cell_length_c                   9.03
_cell_volume                     358.736
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Jensen_ACSAA4_1970_989.cif
_cod_data_source_block           H4Cl3Mn1O2Rb1
_cod_original_cell_volume        358.7364
_cod_original_formula_sum        'H4 Cl3 Mn1 O2 Rb1'
_cod_database_code               1527593
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Cl3 Cl-1 0.244 0.426 0.162 1 0.0
Rb1 Rb+1 0.256 0.934 0.177 1 0.0
H1 H+1 0.581 0.685 0.461 1 0.0
O2 O-2 0.746 0.438 0.168 1 0.0
H4 H+1 0.735 0.464 0.069 1 0.0
Cl1 Cl-1 0.242 0.713 0.495 1 0.0
O1 O-2 0.743 0.749 0.491 1 0.0
Cl2 Cl-1 0.771 0.959 0.187 1 0.0
H3 H+1 0.64 0.459 0.19 1 0.0
H2 H+1 0.778 0.817 0.414 1 0.0
Mn1 Mn+2 0.998 0.331 0.329 1 0.0
