#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010992.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_2010992
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  629
_journal_page_last  630
_publ_section_title
;
\b-K~2~Cr~2~O~7~
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Krivovichev, Sergey V.'
  "Kir'yanova, Elena V."
  'Filatov, Stanislav K.'
  'Burns, Peter C.'
_chemical_name_common  'dipotassium dichromate'
_chemical_formula_moiety  'K2 Cr2 O7'
_chemical_formula_sum  'Cr2 K2 O7'
_chemical_formula_weight  294.20
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  13.0339(17)
_cell_length_b  7.3750(10)
_cell_length_c  7.4672(10)
_cell_angle_alpha  90.00
_cell_angle_beta  91.923(2)
_cell_angle_gamma  90.00
_cell_volume  717.38(17)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.724
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cr 0.39714(3)  .17429(5) 0.13497(5)  .0213(2) Uani d . 1 . . Cr
  K 0.14473(5)  .15065(9) 0.35562(8)  .0328(2) Uani d . 1 . . K
  O1 0.44153(18)  .3071(3) -0.0176(3)  .0337(5) Uani d . 1 . . O
  O2 0.33753(18)  .2974(3) 0.2780(3)  .0341(5) Uani d . 1 . . O
  O3 1/2  .0595(4) 1/4  .0283(6) Uani d S 1 . . O
  O4 0.32025(19)  .0254(3) 0.0494(3)  .0408(6) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cr  .0206(3)  .0226(3)  .0207(3)  -.00247(14)  .00292(18)  -.00125(14)
  K  .0336(4)  .0382(4)  .0266(4)  -.0056(3)  .0002(3)  -.0043(2)
  O1  .0334(12)  .0398(11)  .0281(10)  -.0049(9)  .0069(9)  .0076(8)
  O2  .0379(12)  .0373(10)  .0277(10)  .0088(9)  .0082(9)  -.0012(8)
  O3  .0256(13)  .0251(12)  .0343(15) 0  .0020(11) 0
  O4  .0371(12)  .0368(11)  .0479(13)  -.0112(9)  -.0072(11)  -.0054(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cr O1 . 1.624(2) y
  Cr O2 . 1.620(2) y
  Cr O3 . 1.7819(13) y
  Cr O4 . 1.605(2) y
  K O1 7 2.746(2) y
  K O1 8_456 2.859(2) y
  K O1 4_545 3.039(2) y
  K O2 7_556 2.764(2) y
  K O2 4_545 2.802(2) y
  K O2 . 2.814(3) y
  K O4 4 2.886(2) y
  K O4 6_556 2.965(2) y