#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002223.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_2002223
_chemical_name_systematic          'Strontium dicalcium decalutetium oxide'
_chemical_formula_structural       'Sr Ca2 Lu10 O18'
_chemical_formula_sum              'Ca2 Lu10 O18 Sr'
_publ_section_title
;
Zur Verbindungsbildung von Me O : Me2 O3, II. Ueber Sr Ca2 Yb10 O18 und
Sr Ca2 Lu10 O18
;
loop_
_publ_author_name
  'Muschick, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_volume                    31
_journal_year                      1976
_journal_page_first                1064
_journal_page_last                 1066
_cell_length_a                     17.40399
_cell_length_b                     17.40399
_cell_length_c                     3.307
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       867.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
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_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ca2+   2.000
  Lu3+   3.000
  O2-   -2.000
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
  Ca1   Ca2+   6 c 0.3249 -0.0014 0.75 0.6667  0 d
  Lu1   Lu3+   6 c 0.3249 -0.0014 0.75 0.3333  0 d
  Lu2   Lu3+   6 c 0.1168 -0.1111 0.25 1.  0 d
  Lu3   Lu3+   6 c 0.4463 0.547 0.25 1.  0 d
  Lu4   Lu3+   6 c 0.7816 0.2172 0.25 1.  0 d
  O1    O2-    6 c 0.158 0.134 0.25 1.  0 d
  O2    O2-    6 c 0.511 0.818 0.25 1.  0 d
  O3    O2-    6 c 0.832 0.467 0.25 1.  0 d
  O4    O2-    6 c 0.309 0.082 0.25 1.  0 d
  O5    O2-    6 c 0.642 0.753 0.25 1.  0 d
  O6    O2-    6 c 0.974 0.423 0.25 1.  0 d
_refine_ls_R_factor_all            0.098