#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/31/9013145.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_9013145
loop_
_publ_author_name
'Li, G.'
'Yang, G.'
'Ma, Z.'
'Shi, N.'
'Xiong, M.'
'Sheng, G.'
'Fan, H.'
_publ_section_title
;
 The crystal structure of a new mineral dingdaohengite-(Ce)
;
_journal_name_full               'Kuangwu Xuebao'
_journal_page_first              313
_journal_page_last               320
_journal_volume                  25
_journal_year                    2005
_chemical_compound_source        'Bayun Obo, Inner Mongolia, China'
_chemical_formula_sum
'Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84'
_chemical_name_mineral           Dingdaohengite-(Ce)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.636
_cell_angle_gamma                90
_cell_length_a                   13.4656
_cell_length_b                   5.7356
_cell_length_c                   11.0977
_cell_formula_units_Z            2
_cell_volume                     842.386
_database_code_amcsd             0014199
_exptl_crystal_density_diffrn    4.827
_cod_original_formula_sum
'(Ce2.1 La1.46 Ca.44) Fe1.72 Ti2.84 Mg.4 Nb.04 Si4 O22'
_cod_database_code               9013145
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
CeA1 0.43028 0.50000 0.76027 0.52500
LaA1 0.43028 0.50000 0.76027 0.36500
CaA1 0.43028 0.50000 0.76027 0.11000
CeA2 0.14385 0.50000 0.76556 0.52500
LaA2 0.14385 0.50000 0.76556 0.36500
CaA2 0.14385 0.50000 0.76556 0.11000
FeB 0.00000 0.50000 0.50000 1.00000
TiC1 0.25000 0.25000 0.50000 0.44000
Fe2+C1 0.25000 0.25000 0.50000 0.23000
MgC1 0.25000 0.25000 0.50000 0.20000
Fe3+C1 0.25000 0.25000 0.50000 0.13000
TiC2A 0.50000 0.50000 0.50000 0.99000
NbC2A 0.50000 0.50000 0.50000 0.01000
TiC2B 0.50000 0.00000 0.00000 0.97000
NbC2B 0.50000 0.00000 0.00000 0.03000
Si1 0.29921 0.00000 0.76857 1.00000
Si2 0.35775 0.50000 0.04647 1.00000
O1 0.52240 0.74490 0.62660 1.00000
O2 0.42590 0.27150 0.09390 1.00000
O3 0.27200 0.23410 0.68530 1.00000
O4 0.35430 0.50000 0.52260 1.00000
O5 0.31380 0.50000 0.90330 1.00000
O6 0.15210 0.50000 0.51080 1.00000
O7 0.22970 0.00000 0.87130 1.00000
O8 0.41520 0.00000 0.82810 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014199
