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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011107.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_9011107
loop_
_publ_author_name
'Smolin, Y. I.'
'Shepelev, Y. F.'
_publ_section_title
;
 The crystal structures of the rare earth pyrosilicates
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              484
_journal_page_last               492
_journal_paper_doi               10.1107/S0567740870002698
_journal_volume                  26
_journal_year                    1970
_chemical_formula_structural     Nd2Si2O7
_chemical_formula_sum            'Nd2 O7 Si2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.394
_cell_length_b                   12.95
_cell_length_c                   8.72
_cell_volume                     609.112
_database_code_amcsd             0009373
_exptl_crystal_density_diffrn    4.980
_cod_original_formula_sum        'Nd2 Si2 O7'
_cod_database_code               9011107
_amcsd_formula_title             Nd2Si2O7
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Nd1 0.24736 0.48136 0.69325 0.00570
Nd2 0.75719 0.65960 0.89617 0.00570
Si1 0.72700 0.57180 0.49940 0.00659
Si2 0.72670 0.72480 0.24820 0.00659
O1 0.72100 0.68400 0.42580 0.00760
O2 0.50000 0.50930 0.41960 0.00836
O3 0.97320 0.49870 0.48250 0.01140
O4 0.64470 0.58010 0.67910 0.01697
O5 0.50340 0.67050 0.14300 0.00684
O6 0.98020 0.69850 0.15740 0.01127
O7 0.64700 0.84410 0.24600 0.01216