#------------------------------------------------------------------------------
#$Date: 2022-09-14 20:01:49 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/23/2202312.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_2202312
loop_
_publ_author_name
'Kolitsch, Uwe'
_publ_section_title
;
α-Cs₂Cr₃O₁₀
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i164
_journal_page_last               i166
_journal_paper_doi               10.1107/S1600536803026473
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Cs2 Cr3 O10'
_chemical_formula_moiety         'Cs2 Cr3 O10'
_chemical_formula_structural     'Cs2 Cr3 O10'
_chemical_formula_sum            'Cr3 Cs2 O10'
_chemical_formula_weight         581.82
_chemical_name_common            'cesium trichromate'
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.887(2)
_cell_length_b                   9.671(2)
_cell_length_c                   19.493(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2240.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.449
_cod_database_code               2202312
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
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
Cs1 0.551246(12) 0.646114(15) 0.416422(7) 0.02978(5) Uani d . 1 . . Cs
Cs2 0.225573(12) 0.774086(15) 0.320165(8) 0.03163(5) Uani d . 1 . . Cs
Cr1 0.31124(3) 0.50625(4) -0.024272(17) 0.02531(7) Uani d . 1 . . Cr
Cr2 0.37664(3) 0.69456(4) 0.112922(17) 0.02531(7) Uani d . 1 . . Cr
Cr3 0.49513(3) 0.50362(4) 0.232628(18) 0.02427(7) Uani d . 1 . . Cr
O1 0.3544(3) 0.3499(2) -0.02371(13) 0.0629(7) Uani d . 1 . . O
O2 0.18390(17) 0.5129(2) -0.05239(11) 0.0441(5) Uani d . 1 . . O
O3 0.38996(17) 0.6022(2) -0.07125(10) 0.0439(4) Uani d . 1 . . O
O4 0.31084(17) 0.5724(2) 0.06318(9) 0.0395(4) Uani d . 1 . . O
O5 0.28273(17) 0.7574(3) 0.16140(11) 0.0491(5) Uani d . 1 . . O
O6 0.42874(19) 0.8151(2) 0.06763(11) 0.0442(4) Uani d . 1 . . O
O7 0.48350(16) 0.6242(2) 0.16099(9) 0.0368(4) Uani d . 1 . . O
O8 0.62195(16) 0.5187(2) 0.26009(11) 0.0413(4) Uani d . 1 . . O
O9 0.40740(15) 0.54400(19) 0.29248(9) 0.0345(4) Uani d . 1 . . O
O10 0.4713(2) 0.34858(19) 0.20758(11) 0.0480(5) Uani d . 1 . . O
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
Cs1 O1 3_655 3.084(2) ?
Cs1 O3 7_576 3.108(2) ?
Cs1 O9 . 3.1203(19) ?
Cs1 O10 3_655 3.1222(19) ?
Cs1 O4 6_656 3.192(2) ?
Cs1 O6 3_645 3.225(2) ?
Cs1 O2 2_565 3.2479(19) ?
Cs1 O6 7_576 3.309(2) ?
Cs1 O5 6_656 3.321(2) ?
Cs1 O2 6_656 3.342(2) ?
Cs1 O8 . 3.393(2) ?
Cs2 O9 8_665 3.0990(19) ?
Cs2 O3 7_576 3.119(2) ?
Cs2 O9 . 3.1487(18) ?
Cs2 O8 6_556 3.172(2) ?
Cs2 O5 . 3.173(2) ?
Cs2 O7 6_556 3.2430(19) ?
Cs2 O2 7_576 3.265(2) ?
Cs2 O10 8_665 3.289(2) ?
Cs2 O8 3_655 3.366(2) ?
Cs2 O1 2_565 3.406(3) ?
Cs2 O10 3_655 3.714(3) ?
Cr1 O1 . 1.597(2) yes
Cr1 O3 . 1.605(2) yes
Cr1 O2 . 1.6111(19) yes
Cr1 O4 . 1.8209(18) yes
Cr2 O5 . 1.584(2) yes
Cr2 O6 . 1.588(2) yes
Cr2 O4 . 1.7168(18) yes
Cr2 O7 . 1.7190(18) yes
Cr3 O10 . 1.6021(18) yes
Cr3 O8 . 1.6063(19) yes
Cr3 O9 . 1.6128(17) yes
Cr3 O7 . 1.8243(18) yes
