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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537175.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_1537175
loop_
_publ_author_name
'Kuz'micheva, G.M.'
'Mukhin, B.V.'
'Rybakov, V.B.'
'Denisov, A.L.'
'Smirnov, V.A.'
'Zharikov, E.V.'
_publ_section_title
;
 Characteristic features of isomorphism in Ca Y Al3 O7 melilites,
 containing ions of chromium
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              569
_journal_page_last               577
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Al2.91 B0.03 Ca Cr0.06 O7 Y'
_chemical_name_systematic        'Ca Y Al2.91 Cr0.06 B0.03 O7'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.68
_cell_length_b                   7.68
_cell_length_c                   5.042
_cell_volume                     297.389
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kuzmicheva_ZNOKAQ_1995_1497.cif
_cod_data_source_block           Al2.91B0.03Ca1Cr0.06O7Y1
_cod_original_cell_volume        297.3893
_cod_original_formula_sum        'Al2.91 B0.03 Ca1 Cr0.06 O7 Y1'
_cod_database_code               1537175
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cr1 Cr+3 0 0 0 0.03 0.0
Ca1 Ca+2 0.3398 0.16 0.5132 0.5 0.0
O1 O-2 0.5 0 0.191 1 0.0
O3 O-2 0.092 0.1609 0.8 1 0.0
Al1 Al+3 0 0 0 0.97 0.0
Al2 Al+3 0.1439 0.356 0.9576 0.97 0.0
Y1 Y+3 0.3398 0.16 0.5132 0.5 0.0
O2 O-2 0.141 0.359 0.3 1 0.0
Cr2 Cr+3 0.1439 0.356 0.9576 0.015 0.0
B1 B+3 0.1439 0.356 0.9576 0.015 0.0
