source: trunk/exports/template_phase.cif @ 4522

Last change on this file since 4522 was 4207, checked in by toby, 2 years ago

add density to scripting

  • Property svn:executable set to *
File size: 1.0 KB
Line 
1# GSAS-II phase information template file
2
3data_Phase_Template
4#==============================================================================
5# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA
6
7_pd_char_particle_morphology      ?
8
9_chemical_name_systematic
10; ?
11;
12_chemical_name_common             ?
13_chemical_formula_moiety          ?       
14_chemical_formula_structural      ?       
15_chemical_formula_analytical      ?
16_chemical_melting_point           ?
17_chemical_compound_source         ?       # for minerals and
18                                          # natural products
19_symmetry_space_group_name_Hall   ?
20
21_exptl_crystal_F_000               ?
22_exptl_crystal_density_meas        ?
23_exptl_crystal_density_method      ?
24
25_cell_measurement_temperature     ?       
26
27_cell_special_details
28; ?
29;
30
31_geom_special_details             ?
32
33# The following item identifies the program(s) used (if appropriate).
34_computing_structure_solution     ?       
35
36#==============================================================================
37
38# 8. Phase information from GSAS-II
39
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