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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/1/53/58/1535835.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535835
loop_
_publ_author_name
'Donnay, G.'
'Preston, H.'
_publ_section_title
;
 Ewaldite, a New Barium Calcium Carbonate
;
_journal_name_full
;
Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)
;
_journal_page_first              201
_journal_page_last               212
_journal_volume                  15
_journal_year                    1971
_chemical_formula_sum            'C Ba Ca O3'
_chemical_name_systematic        'Ba Ca (C O3)2'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.284
_cell_length_b                   5.284
_cell_length_c                   12.78
_cell_volume                     309.020
_citation_journal_id_ASTM        MPMTAG
_cod_data_source_file            Donnay_MPMTAG_1971_1867.cif
_cod_data_source_block           Ba1C1Ca1O3
_cod_original_cell_volume        309.0204
_cod_original_formula_sum        'Ba1 C1 Ca1 O3'
_cod_database_code               1535835
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,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
Ca1 Ca+2 0.3333 0.6667 0.305 1 0.0
Ba1 Ba+2 0.3333 0.6667 0 1 0.0
C1 C+4 0 0 0.422 1 0.0
O1 O-2 0.137 -0.137 0.425 1 0.0
