#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002315.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_2002315
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Sander, K'
_publ_section_title              'Zur Kristallstruktur von Sr5 (Cr O4)3 Cl'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (33,1978-41,1986)
;
_journal_page_first              708
_journal_page_last               710
_journal_volume                  33
_journal_year                    1978
_chemical_formula_structural     'Sr5 (Cr O4)3 Cl'
_chemical_formula_sum            'Cl Cr3 O12 Sr5'
_chemical_name_systematic
;
Strontium tris(tetraoxochromate(V)) chloride
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.125
_cell_length_b                   10.125
_cell_length_c                   7.328
_cell_volume                     650.6
_refine_ls_R_factor_all          0.11
_cod_database_code               2002315
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,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
Sr1 Sr2+ 2 b 0.3333 0.6667 0. 1. 0 d
Sr2 Sr2+ 2 b 0.3333 0.6667 0.5 1. 0 d
Sr3 Sr2+ 6 c 0.2497 0.9952 0.2477 1. 0 d
Cr1 Cr5+ 6 c 0.4045 0.3736 0.2458 1. 0 d
O1 O2- 6 c 0.319 0.482 0.243 1. 0 d
O2 O2- 6 c 0.599 0.472 0.245 1. 0 d
O3 O2- 6 c 0.346 0.246 0.089 1. 0 d
O4 O2- 6 c 0.637 0.734 0.948 1. 0 d
Cl1 Cl1- 2 a 0. 0. 0.016 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Cr5+ 5.000
O2- -2.000
Cl1- -1.000
