#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008040.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_1008040
_chemical_name_systematic          'Dipotassium trichromate'
_chemical_formula_structural       'K2 Cr3 O10'
_chemical_formula_sum              'Cr3 K2 O10'
_publ_section_title
;
Structure du tripolychromate de potassium K~2~ Cr~3~ O~10~
;
loop_
_publ_author_name
  'Blum, D'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                454
_journal_page_last                 456
_cell_length_a                     7.618(3)
_cell_length_b                     17.791(8)
_cell_length_c                     7.354(3)
_cell_angle_alpha                  90
_cell_angle_beta                   99.20(5)
_cell_angle_gamma                  90
_cell_volume                       983.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr6+   6.000
  K1+    1.000
  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
  Cr1   Cr6+   4 e 0.9658(2) 0.27747(6) 0.0435(2) 1.  0 d
  Cr2   Cr6+   4 e 0.6679(1) 0.40709(6) 0.9091(2) 1.  0 d
  Cr3   Cr6+   4 e 0.8380(1) 0.49915(7) 0.2583(2) 1.  0 d
  K1    K1+    4 e 0.3662(2) 0.41376(9) 0.3457(2) 1.  0 d
  K2    K1+    4 e 0.0733(2) 0.6965(1) 0.4651(2) 1.  0 d
  O1    O2-    4 e 0.119(1) 0.3079(4) 0.2037(9) 1.  0 d
  O2    O2-    4 e 0.5463(8) 0.2776(3) 0.4065(7) 1.  0 d
  O3    O2-    4 e 0.3166(8) 0.2636(3) 0.6379(8) 1.  0 d
  O4    O2-    4 e 0.3567(6) 0.1450(3) 0.4017(6) 1.  0 d
  O5    O2-    4 e 0.0373(7) 0.1403(3) 0.5139(7) 1.  0 d
  O6    O2-    4 e 0.0736(7) 0.0751(3) 0.2037(7) 1.  0 d
  O7    O2-    4 e 0.2816(6) 0.5083(3) 0.9817(6) 1.  0 d
  O8    O2-    4 e 0.0417(7) 0.4762(4) 0.2572(9) 1.  0 d
  O9    O2-    4 e 0.1709(8) 0.4170(3) 0.6676(8) 1.  0 d
  O10   O2-    4 e 0.2432(9) 0.0585(4) 0.8785(8) 1.  0 d
_refine_ls_R_factor_all            0.049