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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/2/31/08/2310847.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_2310847
loop_
_publ_author_name
'de Wolff, P.M.'
_publ_section_title
;
 The Crystal Structure of Artinite, Mg2 C O3 (O H)2 (H2 O)3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              286
_journal_page_last               287
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'C H8 Mg2 O8'
_chemical_name_systematic        'Mg2 C O3 (O H)2 (H2 O)3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.56
_cell_length_b                   3.15
_cell_length_c                   6.22
_cell_volume                     320.331
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            deWolff_ACCRA9_1952_160.cif
_cod_data_source_block           C1H8Mg2O8
_cod_original_cell_volume        320.3315
_cod_original_formula_sum        'C1 H8 Mg2 O8'
_cod_database_code               2310847
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O2 O-2 0.396 0 0.067 0.5 0.0
O5 O-2 0.444 0.167 0.689 0.5 0.0
O4 O-2 0.444 0.833 0.689 0.5 0.0
O1 O-2 0.231 0 0.175 1 0.0
O3 O-2 0.364 0.5 0.466 0.5 0.0
C1 C+4 0.417 0.5 0.611 0.5 0.0
Mg1 Mg+2 0.314 0.5 0.139 1 0.0
