#------------------------------------------------------------------------------
#$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/10/2101057.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_2101057
loop_
_publ_author_name
'Maslen, E. N.'
'Streltsov, V. A.'
'Streltsova, N. R.'
_publ_section_title
;
 X-ray study of the electron density in magnesite MgCO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              980
_journal_page_last               984
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C Mg O3'
_chemical_formula_weight         84.31
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   4.6350(10)
_cell_length_b                   4.6350(10)
_cell_length_c                   15.023(2)
_cell_volume                     279.50(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.59
_exptl_crystal_density_diffrn    3.005
_exptl_crystal_F_000             252
_[local]_cod_data_source_file    as0629.cif
_[local]_cod_data_source_block   as0629a
_[local]_cod_cif_authors_sg_H-M  'R -3 c {hexagonal axes}'
_[local]_cod_chemical_formula_sum_orig 'C1 Mg1 O3'
_cod_original_cell_volume        279.50(10)
_cod_database_code               2101057
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg .0 .0 .0
C .0 .0 .25
O .27740(10) .0 .25
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C O 1.2857(3)
Mg O 2.1029(3)
O O1 2.2269(5)
O O2 2.8502(3)
O O3 2.9265(7)
O O4 3.0206(4)