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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/1/53/75/1537544.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_1537544
loop_
_publ_author_name
'Korczak, P.'
'Raaz, F.'
_publ_section_title
;
 Verfeinerung der Kristallstruktur von Gehlenit unter Zugrundelegung des
 Gallium-Gehlenites.
;
_journal_name_full
;
Anzeiger der Oesterreichischen Akademie der Wissenschaften, 
Mathematisch-Naturwissenschaftliche Klasse
;
_journal_page_first              383
_journal_page_last               388
_journal_volume                  104
_journal_year                    1967
_chemical_formula_sum            'Ca2 Ga2 O7 Si'
_chemical_name_systematic        'Ca2 Ga2 (Si O4) O3'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.797
_cell_length_b                   7.797
_cell_length_c                   5.132
_cell_volume                     311.991
_citation_journal_id_ASTM        OSAWA8
_cod_data_source_file            Korczak_OSAWA8_1967_1871.cif
_cod_data_source_block           Ca2Ga2O7Si1
_cod_original_cell_volume        311.9908
_cod_original_formula_sum        'Ca2 Ga2 O7 Si1'
_cod_database_code               1537544
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+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
O3 O-2 0.0912 0.1651 0.2083 1 0.0
O1 O-2 0 0.5 0.1882 1 0.0
Ga1 Ga+3 0 0 0 1 0.0
Ga2 Ga+3 0.3588 0.8588 0.9625 0.5 0.0
Ca1 Ca+2 0.1619 0.6619 0.5123 1 0.0
Si1 Si+4 0.3588 0.8588 0.9625 0.5 0.0
O2 O-2 0.3631 0.8631 0.2781 1 0.0
