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#$Date: 2016-01-09 14:40:00 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174142 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542128.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_1542128
loop_
_publ_author_name
'Kimata, M.'
_publ_section_title
;
 The structural properties and mineralogical significance of synthetic Sr2
 Mn Si2 O7 melilite with 4-coordinated manganese
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              83
_journal_page_last               96
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum            'Mn1.02 O7 Si2.056 Sr1.928'
_chemical_name_systematic        'Sr1.928 Mn1.02 (Si2.056 O7)'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.118
_cell_length_b                   8.118
_cell_length_c                   5.142
_cell_volume                     338.868
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Kimata_NJMMAW_1985_1955.cif
_cod_data_source_block           Mn1.02O7Si2.056Sr1.928
_cod_original_cell_volume        338.8677
_cod_database_code               1542128
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+1/2,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
Si1 Si+4 0.1367 0.3633 0.9398 1.028 0.0
O2 O-2 0.1404 0.3596 0.2492 1 0.0
Mn1 Mn+2 0 0 0 1.02 0.0
Sr1 Sr+2 0.3336 0.1664 0.5061 0.964 0.0
O1 O-2 0.5 0 0.1659 1 0.0
O3 O-2 0.0805 0.1959 0.7946 1 0.0
