#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002230.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_2002230
loop_
_publ_author_name
'Deiseroth, H J'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Ca Ga4 O7'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              149
_journal_page_last               156
_journal_paper_doi               10.1002/zaac.19713820206
_journal_volume                  382
_journal_year                    1971
_chemical_formula_structural     'Ca Ga4 O7'
_chemical_formula_sum            'Ca Ga4 O7'
_chemical_name_systematic        'Calcium tetragallium oxide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.065
_cell_length_b                   9.079
_cell_length_c                   5.6
_cell_volume                     641.2
_exptl_crystal_density_meas      4.44
_cod_database_code               2002230
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ca1 Ca2+ 4 e 0. 0.297 0.25 1. 0 d
Ga1 Ga3+ 8 f 0.121 0.062 0.743 1. 0 d
Ga2 Ga3+ 8 f 0.34 0.085 0.188 1. 0 d
O1 O2- 8 f 0.195 0.058 0.075 1. 0 d
O2 O2- 8 f 0.383 0.068 -0.09 1. 0 d
O3 O2- 8 f 0.116 0.25 -0.355 1. 0 d
O4 O2- 4 e 0. 0.062 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ca2+ 2.000
Ga3+ 3.000
O2- -2.000
