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#$Date: 2019-10-30 02:25:10 +0200 (Wed, 30 Oct 2019) $
#$Revision: 220514 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/25/1552503.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_1552503
loop_
_publ_author_name
'Ishii, T.'
'Kojitani, H.'
'Fujino, K.'
'Yusa, H.'
'Mori, D.'
'Inaguma, Y.'
'Matsushita, Y.'
'Yamamura, K.'
'Akaogi, M.'
_publ_section_title
;
 High-pressure high-temperature transitions in MgCr2O4 and crystal
 structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with
 implications for ultrahigh-pressure chromitites in ophiolites
;
_journal_name_full               'American Mineralogist'
_journal_page_first              59
_journal_page_last               65
_journal_paper_doi               10.2138/am-2015-4818
_journal_volume                  100
_journal_year                    2015
_chemical_formula_sum            'Cr2 Mg O4'
_chemical_name_common            'MgCr2O4 CT'
_chemical_name_mineral           'MgCr2O4 with CaTi2O4-type structure'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   2.85107(2)
_cell_length_b                   9.48930(8)
_cell_length_c                   9.67853(8)
_cell_volume                     261.849(4)
_cod_data_source_file            MgCr2O4-CT.cif
_cod_data_source_block           MgCr2O4_CT
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               1552503
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x,-y,z+1/2
4 x,y,-z+1/2
5 -x,y,-z+1/2
6 x,-y,z+1/2
7 x,-y,-z
8 -x,y,z
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,-z
11 -x+1/2,-y+1/2,z+1/2
12 x+1/2,y+1/2,-z+1/2
13 -x+1/2,y+1/2,-z+1/2
14 x+1/2,-y+1/2,z+1/2
15 x+1/2,-y+1/2,-z
16 -x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Mg 1.0 0.000000 0.1090(2) 0.250000 Uiso 0.0148(4) Mg
Cr 1.0 0.000000 0.36700(10) 0.07070(10) Uiso 0.0076(1) Cr
O1 1.0 0.000000 0.000000 0.000000 Uiso 0.0033(2) O
O2 1.0 0.000000 0.4629(3) 0.250000 Uiso 0.0033(2) O
O3 1.0 0.000000 0.2676(2) 0.61340(10) Uiso 0.0033(2) O
