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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106441.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106441
loop_
_publ_author_name
'Stadnicka, K.'
'Haber, J.'
'Kozlowski, R.'
_publ_section_title
;
 The crystal structure of magnesium dimolybdate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3859
_journal_page_last               3862
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Mg Mo2 O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.111
_cell_length_b                   5.7
_cell_length_c                   15.002
_cell_volume                     627.263
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stadnicka_ACBCAR_1977_773.cif
_cod_data_source_block           Mg1Mo2O7
_cod_original_formula_sum        'Mg1 Mo2 O7'
_cod_database_code               2106441
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O4 O-2 0.9931 0.6245 0.3906 1 0.0
O7 O-2 0.1452 0.6777 0.2486 1 0.0
O1 O-2 0.6955 0.3913 0.422 1 0.0
Mo2 Mo+6 0.20737 0.63402 0.37129 1 0.0
Mo1 Mo+6 0.74741 0.62599 0.36385 1 0.0
O5 O-2 0.3208 0.3688 0.4021 1 0.0
O6 O-2 0.3619 0.8646 0.4335 1 0.0
O3 O-2 0.7005 0.8805 0.4102 1 0.0
O2 O-2 0.609 0.6133 0.2392 1 0.0
Mg1 Mg+2 0.5155 0.1265 0.4103 1 0.0
