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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107183.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_2107183
loop_
_publ_author_name
'Stephan, G.W.'
'MacGillavry, C.H.'
'Koch, B.'
_publ_section_title
;
 The molecular and crystal structure of K H C O3 Mg C O3 (H2 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1029
_journal_page_last               1031
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C2 H9 K Mg O10'
_chemical_name_systematic        'K Mg (H C O3) (C O3) (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.2
_cell_angle_beta                 108.9
_cell_angle_gamma                59.6
_cell_formula_units_Z            1
_cell_length_a                   6.713
_cell_length_b                   7.337
_cell_length_c                   5.364
_cell_volume                     211.990
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stephan_ACBCAR_1972_1959.cif
_cod_data_source_block           C2H9K1Mg1O10
_cod_original_cell_volume        211.9897
_cod_original_formula_sum        'C2 H9 K1 Mg1 O10'
_cod_database_code               2107183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O3 O-2 0.76227 0.50856 0.13697 1 0.0
O1 O-2 0.01761 0.76172 0.4599 1 0.0
Mg1 Mg+2 0 0.5 0.5 1 0.0
O5 O-2 0.40394 0.75569 0.39312 1 0.0
C1 C+4 0.49214 0.20197 0.37347 1 0.0
O4 O-2 0.61993 0.05489 0.20132 1 0.0
K1 K+1 0 0 0 1 0.0
O2 O-2 0.26947 0.29602 0.29594 1 0.0
