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#$Date: 2015-09-29 06:49:00 +0100 (Tue, 29 Sep 2015) $
#$Revision: 158929 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532917.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_1532917
loop_
_publ_author_name
'Moore, C.A.'
'Battle, P.D.'
_publ_section_title
;
 Crystal and magnetic structures of Sr4 M Mn2 O9 (M = Cu or Zn)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              88
_journal_page_last               96
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'Mn2.05 O9 Sr4 Zn0.95'
_chemical_name_systematic        'Sr4 (Zn0.95 Mn0.05) (Mn2 O9)'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.5894
_cell_length_b                   9.5894
_cell_length_c                   7.8039
_cell_volume                     621.477
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Moore_JSSCBI_2003_262.cif
_cod_data_source_block           Mn2.05O9Sr4Zn0.95
_cod_original_cell_volume        621.4772
_cod_database_code               1532917
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-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
O2 O-2 0.679 0.179 0.462 1 0.0
Zn1 Zn+2 0 0 0.5 0.95 0.0
O3 O-2 0.845 0 0 1 0.0
Mn1 Mn+3 0 0 0.5 0.05 0.0
Zn2 Zn+2 0.3333 0.6667 0.75 0.95 0.0
Sr2 Sr+2 0.359 0 0.5 1 0.0
Mn2 Mn+3 0.3333 0.6667 0.75 0.05 0.0
Mn4 Mn+3 0.3333 0.6667 0.086 1 0.0
Mn5 Mn+3 0.3333 0.6667 0.402 1 0.0
O4 O-2 0.681 0.184 0.061 1 0.0
Sr1 Sr+2 0.0242 0.6896 0.249 1 0.0
O5 O-2 0.99 0.155 0.3 1 0.0
Sr3 Sr+2 0.324 0 0 1 0.0
Mn3 Mn+3 0 0 0.16 1 0.0
O1 O-2 0.481 0.654 0.235 1 0.0