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#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/96/1539683.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_1539683
loop_
_publ_author_name
'Dascoulidou, A.'
'Schucht, F.'
'Jung, W.'
'Schuster, H.U.'
_publ_section_title
;
 Darstellung, Struktur und magnetische Eigemschaften von
 Redalka8-Mangan-Verbindungen A Mn X mit A= Mg, Ca, SR, Ba und X= Si, Ge,
 Sn
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              119
_journal_page_last               123
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Ca Mn Si'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.1814
_cell_length_b                   4.1814
_cell_length_c                   7.1429
_cell_volume                     124.887
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dascoulidou_ZAACAB_1998_1805.cif
_cod_data_source_block           Ca1Mn1Si1
_cod_original_cell_volume        124.8872
_cod_original_formula_sum        'Ca1 Mn1 Si1'
_cod_database_code               1539683
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
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
Si1 Si-4 0.25 0.25 0.7118 1 0.0
Mn1 Mn+2 0.75 0.25 0.5 1 0.0
Ca1 Ca+2 0.25 0.25 0.1636 1 0.0
