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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/1/53/27/1532709.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_1532709
loop_
_publ_author_name
'Bramnik, K.G.'
'Ehrenberg, H.'
'Dehn, J.K.'
'Fuess, H.'
_publ_section_title
;
 Preparation, crystal structure and magnetic properties of double
 perovskites M2 Mg Re O6 (M = Ca, Sr, Ba)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              235
_journal_page_last               241
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Ca2 Mg O6 Re'
_chemical_name_systematic        'Ca2 Mg Re O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4132
_cell_length_b                   5.54174
_cell_length_c                   7.70415
_cell_volume                     231.113
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Bramnik_SSSCFJ_2003_979.cif
_cod_data_source_block           Ca2Mg1O6Re1
_cod_original_cell_volume        231.1131
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ca2 Mg1 O6 Re1'
_cod_database_code               1532709
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Re1 Re+6 0.5 0 0 1 0.0
O1 O-2 0.216 0.194 0.048 1 0.0
O2 O-2 0.305 0.715 0.043 1 0.0
Mg2 Mg+2 0.5 0 0.5 0.5 0.0
O3 O-2 0.413 0.97 0.756 1 0.0
Ca1 Ca+2 0.503 0.5452 0.7488 0.75 0.0
Ca2 Ca+2 0.5 0 0.5 0.5 0.0
Mg1 Mg+2 0.503 0.5452 0.7488 0.25 0.0
