#------------------------------------------------------------------------------
#$Date: 2025-08-23 02:36:08 +0300 (Sat, 23 Aug 2025) $
#$Revision: 301880 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/05/8100514.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_8100514
loop_
_publ_author_name
'Kolitsch, Uwe'
_publ_section_title
;
Crystal structure of dirubidium dichromate(VI), Rb₂Cr₂O₇, a 
fourth polymorph
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              401
_journal_page_last               402
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Rb2 (Cr2 O7)'
_chemical_formula_sum            'Cr2 O7 Rb2'
_chemical_formula_weight         386.94
_chemical_name_common            'rubidium dichromate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.44(3)
_cell_angle_beta                 90.81(3)
_cell_angle_gamma                108.89(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4330(10)
_cell_length_b                   7.571(2)
_cell_length_c                   7.832(2)
_cell_measurement_temperature    293(2)
_cell_volume                     389.55(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.299
_cod_database_code               8100514
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.61788(3) 0.00713(4) 0.25083(3) 0.02650(8) Uani 1 2 i d . . .
Rb2 Rb 0.81258(4) -0.41469(4) -0.24509(3) 0.02799(8) Uani 1 2 i d . . .
Cr1 Cr 0.70251(5) -0.47518(5) 0.24753(5) 0.01983(9) Uani 1 2 i d . . .
Cr2 Cr 1.08504(5) -0.11760(6) 0.22689(5) 0.01965(9) Uani 1 2 i d . . .
O1 O 0.8722(3) -0.3344(3) 0.1412(3) 0.0374(5) Uani 1 2 i d . . .
O2 O 0.8109(3) -0.5618(3) 0.3626(3) 0.0313(4) Uani 1 2 i d . . .
O3 O 0.5978(3) -0.3373(3) 0.3803(3) 0.0364(4) Uani 1 2 i d . . .
O4 O 0.5426(3) -0.6589(3) 0.0909(3) 0.0357(4) Uani 1 2 i d . . .
O5 O 1.0264(3) 0.0700(3) 0.3420(3) 0.0353(4) Uani 1 2 i d . . .
O6 O 1.2357(3) -0.1530(3) 0.3512(3) 0.0306(4) Uani 1 2 i d . . .
O7 O 1.1791(3) -0.0781(4) 0.0518(3) 0.0403(5) Uani 1 2 i d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb1 O2 2.916(2) 1_565 yes
Rb1 O7 2.934(2) 2_755 yes
Rb1 O6 2.937(2) 1_455 yes
Rb1 O4 2.952(2) 2_645 yes
Rb1 O5 2.955(2) . yes
Rb1 O6 2.993(2) 2_756 yes
Rb1 O3 3.060(2) . yes
Rb1 O4 3.359(2) 1_565 yes
Rb1 O7 3.363(3) 1_455 yes
Rb1 O1 3.568(3) . yes
Rb2 O5 2.853(2) 2_755 yes
Rb2 O1 2.878(2) . yes
Rb2 O2 2.897(2) 1_554 yes
Rb2 O3 2.971(2) 2_645 yes
Rb2 O6 2.992(2) 2_745 yes
Rb2 O2 3.000(2) 2_745 yes
Rb2 O4 3.055(2) 2_645 yes
Rb2 O7 3.272(3) . yes
Rb2 O7 3.508(3) 2_755 yes
Rb2 O3 3.622(3) 1_554 yes
Cr1 O3 1.614(2) . yes
Cr1 O4 1.614(2) . yes
Cr1 O2 1.6143(19) . yes
Cr1 O1 1.781(2) . yes
Cr2 O5 1.606(2) . yes
Cr2 O6 1.6157(19) . yes
Cr2 O7 1.619(2) . yes
Cr2 O1 1.790(2) . yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139206157
