#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/74/9017426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9017426
loop_
_publ_author_name
'Yamnova, N. A.'
'Aksenov, S. M.'
'Pautov, L. A.'
'Popov, M. P.'
'Erokhin, Y. V.'
_publ_section_title
;
 Specific features of cation distribution in the crystal structure
 of mariinskite BeCr2O4 (derivative of olivine-type structure)
 Note: Sample 1
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              30
_journal_page_last               35
_journal_volume                  59
_journal_year                    2014
_chemical_compound_source        'Mariinskoe deposit (Middle Urals, Russia)'
_chemical_formula_sum            'Al0.32 Be0.45 Cr0.71 O2'
_chemical_name_mineral           Mariinskite
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab (x-1/4,y+1/4,z)'
_space_group_name_H-M_alt        'P 21 21 21 (a+1/4,b-1/4,c)'
_symmetry_space_group_name_H-M   'P 21 21 21 (a+1/4,b-1/4,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.487
_cell_length_b                   5.629
_cell_length_c                   9.732
_cell_volume                     245.804
_database_code_amcsd             0020027
_exptl_crystal_density_diffrn    4.410
_cod_data_source_file            inputs/fixed/downloads/14/14898.cif
_cod_data_source_block           14898
_cod_original_sg_symbol_H-M      'P 21 21 21'
_cod_original_formula_sum        'Al.32 Cr.71 Be.45 O2'
_cod_database_code               9017426
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,1/2-z
1/2+x,-y,-z
-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_occupancy
_atom_site_U_iso_or_equiv
AlM1 0.25500 0.50900 0.49900 0.49000 0.00700
CrM1 0.25500 0.50900 0.49900 0.28000 0.00700
CrM2 0.25000 0.74000 0.24200 0.67000 0.01100
AlM2 0.25000 0.74000 0.24200 0.15000 0.01100
CrM3 0.74600 0.49200 0.50100 0.31000 0.02100
CrM4 0.24300 0.23300 0.24800 0.16000 0.02900
Be1 0.83300 0.73800 0.40900 0.65000 0.03100
Be2 0.15000 0.74900 0.40500 0.25000 0.02000
O1 0.48800 0.75600 0.41900 1.00000 0.02500
O2 0.00500 0.75400 0.07300 1.00000 0.01700
O3 0.50000 0.49100 0.16700 1.00000 0.01700
O4 0.50600 0.49800 0.65800 1.00000 0.00700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020027
