#------------------------------------------------------------------------------
#$Date: 2019-01-22 06:53:28 +0200 (Tue, 22 Jan 2019) $
#$Revision: 213251 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/05/1550511.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_1550511
loop_
_publ_author_name
'Griffin, W.L.'
'Gain, S.E.M.'
'Bindi, L.'
'Toledo, V.'
'Camara, F.'
'Saunders, M.'
'O'Reilly, S.Y.'
_publ_section_title
;
 Carmeltazite, ZrAl2Ti4O12, a new mineral trapped in corundum from
 volcanic rocks of Mt Carmel, Northern Israel
;
_journal_name_full               Minerals
_journal_page_first              601
_journal_page_last               611
_journal_volume                  8
_journal_year                    2018
_chemical_formula_sum
'Al1.89 Ca0.05 Hf0.01 O11 Sc0.06 Si0.13 Ti3.6 Y0.02 Zr1.04'
_chemical_name_common            ZrAl2Ti4O11
_chemical_name_mineral           carmeltazite
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0951(9)
_cell_length_b                   5.8123(4)
_cell_length_c                   10.0848(7)
_cell_volume                     826.20(10)
_cod_data_source_file            carmeltazite.cif
_cod_data_source_block           carmeltazite
_cod_original_formula_sum
'Ti3.60 Al1.89 Zr1.04 Si0.13 Sc0.06 Ca0.05 Y0.02 Hf0.01 O11'
_cod_database_code               1550511
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
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
M1 0.6800 0.14578(9) 0.250000 0.147650 Uiso 0.0400(4) Al
M1 0.2200 0.14578(9) 0.250000 0.147650 Uiso 0.0400(4) Mg
M2 0.8500 0.00052(3) 0.250000 0.77052(8) Uiso 0.0502(3) Zr
M2 0.1500 0.00052(3) 0.250000 0.77052(8) Uiso 0.0502(3) Ti
M3 1.0 0.33102(5) 0.250000 0.89039(8) Uiso 0.0374(3) Ti
M4 0.8600 0.33492(5) 0.250000 0.42841(8) Uiso 0.0336(3) Ti
M4 0.1400 0.33492(5) 0.250000 0.42841(8) Uiso 0.0336(3) Al
M5 0.8700 0.17178(4) 0.00094(10) 0.66151(5) Uiso 0.0356(2) Ti
M5 0.1300 0.17178(4) 0.00094(10) 0.66151(5) Uiso 0.0356(2) Al
T 0.8700 0.04060(10) 0.250000 0.42210(16) Uiso 0.0435(5) Al
T 0.1300 0.04060(10) 0.250000 0.42210(16) Uiso 0.0435(5) Si
O1 1.0 0.0871(2) 0.250000 0.5842(4) Uiso 0.0504(8) O
O2 1.0 0.2458(2) 0.250000 0.7435(4) Uiso 0.0478(9) O
O3 1.0 0.2620(4) 0.250000 0.2536(4) Uiso 0.0473(9) O
O4 1.0 0.4168(2) 0.250000 0.0695(4) Uiso 0.0412(7) O
O5 1.0 0.4336(4) 0.250000 0.5616(4) Uiso 0.0550(9) O
O6 1.0 0.2446(4) 0.0018(4) 0.9994(2) Uiso 0.0485(8) O
O7 1.0 0.4146(2) 0.0071(5) 0.3259(2) Uiso 0.0513(7) O
O8 1.0 0.4141(2) -0.0288(5) 0.8169(2) Uiso 0.0420(5) O
