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#$Date: 2015-07-06 23:07:08 +0200 (lun 06 de jul de 2015) $
#$Revision: 140486 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/60/2106037.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106037
loop_
_publ_author_name
'Buisson, G.'
_publ_section_title
;
 Structure Cristalline d'un Oxychlorure de Manganese, Mn8 O10 Cl3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1031
_journal_page_last               1034
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Cl3 Mn8 O10'
_chemical_name_systematic        'Mn8 O10 Cl3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2898
_cell_length_b                   9.2898
_cell_length_c                   13.0247
_cell_volume                     1124.037
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Buisson_ACBCAR_1977_1305.cif
_cod_data_source_block           Cl3Mn8O10
_cod_original_cell_volume        1124.036
_cod_database_code               2106037
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,-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+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
O2 O-2 0.5 0 0.0941 1 0.0
Mn5 Mn+3 0 0 0.5 1 0.0
Mn2 Mn+3 0.3524 0 0 1 0.0
Mn1 Mn+3 0.1758 0.1758 0.1764 1 0.0
Mn4 Mn+3 0 0 0 1 0.0
Cl1 Cl-1 0.3022 0.3022 0 1 0.0
O3 O-2 0.2046 0 0.1025 1 0.0
Mn3 Mn+2 0.5 0 0.25 1 0.0
Cl2 Cl-1 0 0 0.3014 1 0.0
O1 O-2 0.1535 0.3465 0.25 1 0.0
