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#$Date: 2016-01-01 13:49:16 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172120 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104321.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_8104321
loop_
_publ_author_name
'Scott, H.G.'
_publ_section_title
;
 Refinement of the crystal structure of the manganous antimonate Mn2 Sb2
 O7 with neutron powder diffraction data by the profile decomposition
 method
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              41
_journal_page_last               46
_journal_volume                  190
_journal_year                    1990
_chemical_formula_sum            'Mn2 O7 Sb2'
_chemical_name_systematic        'Mn2 (Sb2 O7)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.1913
_cell_length_b                   7.1913
_cell_length_c                   17.402
_cell_volume                     779.372
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Scott_ZEKRDZ_1990_1949.cif
_cod_data_source_block           Mn2O7Sb2
_cod_original_cell_volume        779.3716
_cod_database_code               8104321
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
Sb3 Sb+5 0.516 0.342 0.1642 1 0.0
O7 O-2 0.555 0.823 0.0591 1 0.0
Mn1 Mn+2 0.856 0 0.3333 1 0.0
O1 O-2 0.203 0.228 0.1446 1 0.0
O5 O-2 -0.036 0.823 0.0547 1 0.0
Sb1 Sb+5 0.325 0 0.3333 1 0.0
Sb2 Sb+5 0.336 0 0.8333 1 0.0
O3 O-2 0.195 0.64 0.1464 1 0.0
O6 O-2 0.56 0.4 0.0565 1 0.0
O4 O-2 -0.049 0.316 0.0527 1 0.0
Mn2 Mn+2 0.804 0 0.8333 1 0.0
O2 O-2 0.563 0.608 0.1975 1 0.0
Mn3 Mn+2 0.65 0.138 -0.0058 1 0.0
