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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528981.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_1528981
loop_
_publ_author_name
'West, D.V.'
'Ke, X.'
'McQueen, T.M.'
'Zandbergen, H.W.'
'Posen, I.D.'
'Huang, Q.'
'Cava, R.J.'
'Williams, A.J.'
'Schiffer, P.'
_publ_section_title
;
 The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic
 sulfates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1343
_journal_page_last               1350
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Mn5 O24 Pb S6'
_chemical_name_systematic        'Pb Mn5 (S O4)6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.4847
_cell_length_b                   14.4847
_cell_length_c                   7.5248
_cell_volume                     1367.240
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            West_JSSCBI_2009_1764.cif
_cod_data_source_block           Mn5O24Pb1S6
_cod_original_cell_volume        1367.24
_cod_original_formula_sum        'Mn5 O24 Pb1 S6'
_cod_database_code               1528981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
O9 O-2 0.157 0.447 0.086 1 0.0
S3 S+6 0.208 0.442 0.252 1 0.0
S1 S+6 0.226 0.097 0.242 1 0.0
O10 O-2 0.136 0.414 0.405 1 0.0
O3 O-2 0.308 0.211 0.239 1 0.0
O5 O-2 0.46 0.087 0.397 1 0.0
O4 O-2 0.121 0.086 0.204 1 0.0
Mn2 Mn+2 0.3333 0.6667 0.504 1 0.0
Pb1 Pb+2 0.3333 0.6667 1.002 1 0.0
S2 S+6 0.539 0.107 0.257 1 0.0
O1 O-2 0.251 0.036 0.117 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
O6 O-2 0.496 0.111 0.081 1 0.0
Pb1 Pb+2 0 0 0.5 1 0.0
O11 O-2 0.242 0.362 0.236 1 0.0
Mn3 Mn+2 0.346 0.998 0.965 1 0.0
O7 O-2 0.571 0.025 0.258 1 0.0
Mn4 Mn+2 0.322 0.003 0.546 1 0.0
O2 O-2 0.222 0.057 0.423 1 0.0
O12 O-2 0.301 0.547 0.288 1 0.0
O8 O-2 0.632 0.214 0.294 1 0.0
