#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000423.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_9000423
loop_
_publ_author_name
'Calvo, C.'
'Faggiani, R.'
_publ_section_title
;
 A re-investigation of the crystal structures of chevkinite and perrierite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1277
_journal_page_last               1285
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        'natural, but location not given'
_chemical_formula_sum            'Co2 Nd4 O22 Si4 Ti3'
_chemical_name_mineral           Chevkinite-(Nd)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.82
_cell_angle_gamma                90
_cell_length_a                   13.325
_cell_length_b                   5.706
_cell_length_c                   10.998
_cell_formula_units_Z            2
_cell_volume                     821.339
_database_code_amcsd             0000434
_exptl_crystal_density_diffrn    5.268
_cod_original_formula_sum        'Nd4 Si4 Co2 Ti3 O22'
_cod_database_code               9000423
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-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
Nd1 0.35651 0.01889 0.23426 1.00000 0.00990
Nd2 0.06955 -0.03317 0.24116 1.00000 0.00890
Si1 0.20080 0.49740 0.22980 1.00000 0.00530
Si2 0.35840 0.49930 0.04640 1.00000 0.00630
Co 0.00000 0.50000 0.00000 1.00000 0.00930
Ti1 0.24470 0.24560 0.50030 0.68000 0.01060
Co1 0.24470 0.24560 0.50030 0.32000 0.01060
Ti2a 0.00000 0.50000 0.50000 0.82000 0.01190
Co2a 0.00000 0.50000 0.50000 0.18000 0.01190
Ti2b 0.50000 0.50000 0.50000 0.82000 0.01290
Co2b 0.50000 0.50000 0.50000 0.18000 0.01290
O1 0.23840 -0.27250 0.31370 1.00000 0.00700
O11 0.21830 0.25950 0.31260 1.00000 0.00700
O21 -0.02540 0.25150 0.37210 1.00000 0.00800
O2 -0.02410 -0.25750 0.36970 1.00000 0.01200
O3 0.41340 -0.25500 0.09570 1.00000 0.01200
O31 0.44020 0.28800 0.09540 1.00000 0.01300
O5 0.15160 0.49590 0.50920 1.00000 0.00800
O4 0.14500 -0.01210 0.47520 1.00000 0.00700
O6 0.08330 0.54340 0.17370 1.00000 0.01000
O7 0.27050 0.45150 0.12470 1.00000 0.01300
O8 0.31490 -0.00970 -0.09920 1.00000 0.01100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000434
