#------------------------------------------------------------------------------
#$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301771 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008086.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_1008086
loop_
_publ_author_name
'Muller, O'
'White, W B'
'Roy, R'
_publ_section_title
;
X-ray diffraction study of the chromates of nickel, magnesium and
cadmium
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              112
_journal_page_last               120
_journal_volume                  130
_journal_year                    1969
_chemical_formula_structural     'MG CR O4'
_chemical_formula_sum            'Cr Mg O4'
_chemical_name_systematic        'Magnesium chromate - $-beta'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.68
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.95
_cell_length_b                   9.16
_cell_length_c                   6.759
_cell_volume                     598.6
_refine_ls_R_factor_all          0.157
_cod_database_code               1008086
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
-x,-y,-z
-x,y,-z
1/2+x,1/2+y,z
1/2+x,1/2-y,z
1/2-x,1/2-y,-z
1/2-x,1/2+y,-z
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
Mg1 Mg2+ 4 h 0. 0.185(10) 0.5 1. 0 d
Mg2 Mg2+ 4 i 0.793(10) 0. 0.114(10) 1. 0 d
Cr1 Cr6+ 4 g 0. 0.256(10) 0. 1. 0 d
Cr2 Cr6+ 4 i 0.269(10) 0. 0.394(10) 1. 0 d
O1 O2- 4 i 0.35(6) 0.5 0.46(6) 1. 0 d
O2 O2- 4 i 0.17(6) 0. 0.19(6) 1. 0 d
O3 O2- 8 j 0.13(3) 0.35(3) 0.11(3) 1. 0 d
O4 O2- 8 j 0.46(3) 0.34(3) 0.17(3) 1. 0 d
O5 O2- 8 j 0.37(3) 0.13(3) 0.48(3) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+ 2.000
Cr6+ 6.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168302169
