#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100025.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_1100025
_chemical_name_systematic          'Strontium calcium carbonate'
_chemical_name_mineral             'Carbocernaite'
_journal_volume                    27
_journal_year                      1982
_journal_page_first                76
_journal_page_last                 80
_cell_length_a                     5.214(3)
_cell_length_b                     6.430(3)
_cell_length_c                     7.301(12)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       244.8
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.53
_symmetry_space_group_name_H-M     'P m c 21'
_symmetry_Int_Tables_number        26
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ca2+   2.000
  O2-   -2.000
  C4+    4.000
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 a 0. 0.1168(4) 0.2555(11) 1.  0 d
  Ca1   Ca2+   2 b 0.5 0.4844(14) 0.5495(10) 1.  0 d
  O1    O2-    4 c 0.2097(26) 0.4907(24) 0.2951(20) 1.  0 d
  O2    O2-    4 c 0.2850(33) 0.1288(27) 0.5452(23) 1.  0 d
  O3    O2-    2 a 0. 0.2313(43) 0.9204(41) 1.  0 d
  O4    O2-    2 b 0.5 0.1433(41) 0.1462(36) 1.  0 d
  C1    C4+    2 a 0. 0.4176(40) 0.8436(38) 1.  0 d
  C2    C4+    2 b 0.5 0.0343(49) 0.5782(45) 1.  0 d