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#$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/09/2100926.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_2100926
loop_
_publ_author_name
'Gingl, F.'
'Selvam, P.'
'Yvon, K.'
_publ_section_title
;
 Structure refinement of Mg~2~Cu and a comparison of the Mg~2~Cu,
 Mg~2~Ni and Al~2~Cu structure types
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              201
_journal_page_last               203
_journal_paper_doi               10.1107/S0108768192008723
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cu Mg2'
_chemical_formula_weight         112.170
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d {origin @ 2 2 2}'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   5.2750(10)
_cell_length_b                   9.0440(10)
_cell_length_c                   18.328(2)
_cell_volume                     874.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.9264
_exptl_crystal_density_diffrn    3.41
_exptl_crystal_F_000             848
_cod_data_source_file            du0325.cif
_cod_data_source_block           du0325a
_cod_original_cell_volume        874.3(2)
_cod_original_formula_sum        'Cu1 Mg2'
_cod_database_code               2100926
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg(1) .125 .125 .04150(10) .0116(6)
Mg(2) .125 .4586(3) .125 .0130(6)
Cu .125 .125 .49819(4) .0104(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Mg(1) Mg(1) 3.026(2)
Mg(1) mg(1) 3.063(3)
Mg(1) Mg(2) 3.383(2)
Mg(1) Mg(2) 3.4010(10)
Mg(1) Mg(2) 3.408(2)
Mg(1) Cu 2.716(7)
Mg(1) Cu 2.7540(7)
Mg(2) Mg(1) 3.383(2)
Mg(2) Mg(1) 3.4010(10)
Mg(2) Mg(1) 3.408(2)
Mg(2) Mg(2) 3.010(3)
Mg(2) Mg(2) 3.040(2)
Mg(2) Cu 2.7218(9)
Mg(2) Cu 2.7690(10)
Cu Mg(1) 2.7164(7)
Cu Mg(1) 2.7540(7)
Cu Mg(2) 2.7218(9)
Cu Mg(2) 2.7690(10)
Cu Cu 2.6182(3)